Daily Papers

Scaling laws guide the development of large language models (LLMs) by offering estimates for the optimal balance of model size, tokens, and compute. More recently, loss-to-loss scaling laws that relate losses across pretraining datasets and downstream tasks have emerged as a powerful tool for understanding and improving LLM performance. In this work, we investigate which factors most strongly influence loss-to-loss scaling. Our experiments reveal that the pretraining data and tokenizer determine the scaling trend. In contrast, model size, optimization hyperparameters, and even significant architectural differences, such as between transformer-based models like Llama and state-space models like Mamba, have limited impact. Consequently, practitioners should carefully curate suitable pretraining datasets for optimal downstream performance, while architectures and other settings can be freely optimized for training efficiency.

Approximating Stochastic Gradient Descent (SGD) as a Stochastic Differential Equation (SDE) has allowed researchers to enjoy the benefits of studying a continuous optimization trajectory while carefully preserving the stochasticity of SGD. Analogous study of adaptive gradient methods, such as RMSprop and Adam, has been challenging because there were no rigorously proven SDE approximations for these methods. This paper derives the SDE approximations for RMSprop and Adam, giving theoretical guarantees of their correctness as well as experimental validation of their applicability to common large-scaling vision and language settings. A key practical result is the derivation of a square root scaling rule to adjust the optimization hyperparameters of RMSprop and Adam when changing batch size, and its empirical validation in deep learning settings.

Large language models (LLMs) are powerful but static; they lack mechanisms to adapt their weights in response to new tasks, knowledge, or examples. We introduce Self-Adapting LLMs (SEAL), a framework that enables LLMs to self-adapt by generating their own finetuning data and update directives. Given a new input, the model produces a self-edit-a generation that may restructure the information in different ways, specify optimization hyperparameters, or invoke tools for data augmentation and gradient-based updates. Through supervised finetuning (SFT), these self-edits result in persistent weight updates, enabling lasting adaptation. To train the model to produce effective self-edits, we use a reinforcement learning loop with the downstream performance of the updated model as the reward signal. Unlike prior approaches that rely on separate adaptation modules or auxiliary networks, SEAL directly uses the model's own generation to control its adaptation process. Experiments on knowledge incorporation and few-shot generalization show that SEAL is a promising step toward language models capable of self-directed adaptation. Our website and code is available at https://jyopari.github.io/posts/seal.

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

Breast cancer is one of the most threatening diseases in women's life; thus, the early and accurate diagnosis plays a key role in reducing the risk of death in a patient's life. Mammography stands as the reference technique for breast cancer screening; nevertheless, many countries still lack access to mammograms due to economic, social, and cultural issues. Latest advances in computational tools, infrared cameras and devices for bio-impedance quantification, have given a chance to emerge other reference techniques like thermography, infrared thermography, electrical impedance tomography and biomarkers found in blood tests, therefore being faster, reliable and cheaper than other methods. In the last two decades, the techniques mentioned above have been considered as parallel and extended approaches for breast cancer diagnosis, as well many authors concluded that false positives and false negatives rates are significantly reduced. Moreover, when a screening method works together with a computational technique, it generates a "computer-aided diagnosis" system. The present work aims to review the last breakthroughs about the three techniques mentioned earlier, suggested machine learning techniques to breast cancer diagnosis, thus, describing the benefits of some methods in relation with other ones, such as, logistic regression, decision trees, random forest, deep and convolutional neural networks. With this, we studied several hyperparameters optimization approaches with parzen tree optimizers to improve the performance of baseline models. An exploratory data analysis for each database and a benchmark of convolutional neural networks for the database of thermal images are presented. The benchmark process, reviews image classification techniques with convolutional neural networks, like, Resnet50, NasNetmobile, InceptionResnet and Xception.

For many tasks, state-of-the-art results have been achieved with Transformer-based architectures, resulting in a paradigmatic shift in practices from the use of task-specific architectures to the fine-tuning of pre-trained language models. The ongoing trend consists in training models with an ever-increasing amount of data and parameters, which requires considerable resources. It leads to a strong search to improve resource efficiency based on algorithmic and hardware improvements evaluated only for English. This raises questions about their usability when applied to small-scale learning problems, for which a limited amount of training data is available, especially for under-resourced languages tasks. The lack of appropriately sized corpora is a hindrance to applying data-driven and transfer learning-based approaches with strong instability cases. In this paper, we establish a state-of-the-art of the efforts dedicated to the usability of Transformer-based models and propose to evaluate these improvements on the question-answering performances of French language which have few resources. We address the instability relating to data scarcity by investigating various training strategies with data augmentation, hyperparameters optimization and cross-lingual transfer. We also introduce a new compact model for French FrALBERT which proves to be competitive in low-resource settings.

Most models in machine learning contain at least one hyperparameter to control for model complexity. Choosing an appropriate set of hyperparameters is both crucial in terms of model accuracy and computationally challenging. In this work we propose an algorithm for the optimization of continuous hyperparameters using inexact gradient information. An advantage of this method is that hyperparameters can be updated before model parameters have fully converged. We also give sufficient conditions for the global convergence of this method, based on regularity conditions of the involved functions and summability of errors. Finally, we validate the empirical performance of this method on the estimation of regularization constants of L2-regularized logistic regression and kernel Ridge regression. Empirical benchmarks indicate that our approach is highly competitive with respect to state of the art methods.

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

Despite major advances in methodology, hyperparameter tuning remains a crucial (and expensive) part of the development of machine learning systems. Even ignoring architectural choices, deep neural networks have a large number of optimization and regularization hyperparameters that need to be tuned carefully per workload in order to obtain the best results. In a perfect world, training algorithms would not require workload-specific hyperparameter tuning, but would instead have default settings that performed well across many workloads. Recently, there has been a growing literature on optimization methods which attempt to reduce the number of hyperparameters -- particularly the learning rate and its accompanying schedule. Given these developments, how far away is the dream of neural network training algorithms that completely obviate the need for painful tuning? In this paper, we evaluate the potential of learning-rate-free methods as components of hyperparameter-free methods. We freeze their (non-learning rate) hyperparameters to default values, and score their performance using the recently-proposed AlgoPerf: Training Algorithms benchmark. We found that literature-supplied default settings performed poorly on the benchmark, so we performed a search for hyperparameter configurations that performed well across all workloads simultaneously. The best AlgoPerf-calibrated learning-rate-free methods had much improved performance but still lagged slightly behind a similarly calibrated NadamW baseline in overall benchmark score. Our results suggest that there is still much room for improvement for learning-rate-free methods, and that testing against a strong, workload-agnostic baseline is important to improve hyperparameter reduction techniques.

In order to improve reproducibility, deep reinforcement learning (RL) has been adopting better scientific practices such as standardized evaluation metrics and reporting. However, the process of hyperparameter optimization still varies widely across papers, which makes it challenging to compare RL algorithms fairly. In this paper, we show that hyperparameter choices in RL can significantly affect the agent's final performance and sample efficiency, and that the hyperparameter landscape can strongly depend on the tuning seed which may lead to overfitting. We therefore propose adopting established best practices from AutoML, such as the separation of tuning and testing seeds, as well as principled hyperparameter optimization (HPO) across a broad search space. We support this by comparing multiple state-of-the-art HPO tools on a range of RL algorithms and environments to their hand-tuned counterparts, demonstrating that HPO approaches often have higher performance and lower compute overhead. As a result of our findings, we recommend a set of best practices for the RL community, which should result in stronger empirical results with fewer computational costs, better reproducibility, and thus faster progress. In order to encourage the adoption of these practices, we provide plug-and-play implementations of the tuning algorithms used in this paper at https://github.com/facebookresearch/how-to-autorl.

Systems based on artificial neural networks (ANNs) have achieved state-of-the-art results in many natural language processing tasks. Although ANNs do not require manually engineered features, ANNs have many hyperparameters to be optimized. The choice of hyperparameters significantly impacts models' performances. However, the ANN hyperparameters are typically chosen by manual, grid, or random search, which either requires expert experiences or is computationally expensive. Recent approaches based on Bayesian optimization using Gaussian processes (GPs) is a more systematic way to automatically pinpoint optimal or near-optimal machine learning hyperparameters. Using a previously published ANN model yielding state-of-the-art results for dialog act classification, we demonstrate that optimizing hyperparameters using GP further improves the results, and reduces the computational time by a factor of 4 compared to a random search. Therefore it is a useful technique for tuning ANN models to yield the best performances for natural language processing tasks.

Many state-of-the-art hyperparameter optimization (HPO) algorithms rely on model-based optimizers that learn surrogate models of the target function to guide the search. Gaussian processes are the de facto surrogate model due to their ability to capture uncertainty but they make strong assumptions about the observation noise, which might not be warranted in practice. In this work, we propose to leverage conformalized quantile regression which makes minimal assumptions about the observation noise and, as a result, models the target function in a more realistic and robust fashion which translates to quicker HPO convergence on empirical benchmarks. To apply our method in a multi-fidelity setting, we propose a simple, yet effective, technique that aggregates observed results across different resource levels and outperforms conventional methods across many empirical tasks.

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

Hyperparameters are a critical factor in reliably training well-performing reinforcement learning (RL) agents. Unfortunately, developing and evaluating automated approaches for tuning such hyperparameters is both costly and time-consuming. As a result, such approaches are often only evaluated on a single domain or algorithm, making comparisons difficult and limiting insights into their generalizability. We propose ARLBench, a benchmark for hyperparameter optimization (HPO) in RL that allows comparisons of diverse HPO approaches while being highly efficient in evaluation. To enable research into HPO in RL, even in settings with low compute resources, we select a representative subset of HPO tasks spanning a variety of algorithm and environment combinations. This selection allows for generating a performance profile of an automated RL (AutoRL) method using only a fraction of the compute previously necessary, enabling a broader range of researchers to work on HPO in RL. With the extensive and large-scale dataset on hyperparameter landscapes that our selection is based on, ARLBench is an efficient, flexible, and future-oriented foundation for research on AutoRL. Both the benchmark and the dataset are available at https://github.com/automl/arlbench.

In this paper, we present a cross-entropy optimization method for hyperparameter optimization in stochastic gradient-based approaches to train deep neural networks. The value of a hyperparameter of a learning algorithm often has great impact on the performance of a model such as the convergence speed, the generalization performance metrics, etc. While in some cases the hyperparameters of a learning algorithm can be part of learning parameters, in other scenarios the hyperparameters of a stochastic optimization algorithm such as Adam [5] and its variants are either fixed as a constant or are kept changing in a monotonic way over time. We give an in-depth analysis of the presented method in the framework of expectation maximization (EM). The presented algorithm of cross-entropy optimization for hyperparameter optimization of a learning algorithm (CEHPO) can be equally applicable to other areas of optimization problems in deep learning. We hope that the presented methods can provide different perspectives and offer some insights for optimization problems in different areas of machine learning and beyond.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

The recent surge of open-source large language models (LLMs) enables developers to create AI-based solutions while maintaining control over aspects such as privacy and compliance, thereby providing governance and ownership of the model deployment process. To utilize these LLMs, inference engines are needed. These engines load the model's weights onto available resources, such as GPUs, and process queries to generate responses. The speed of inference, or performance, of the LLM, is critical for real-time applications, as it computes millions or billions of floating point operations per inference. Recently, advanced inference engines such as vLLM have emerged, incorporating novel mechanisms such as efficient memory management to achieve state-of-the-art performance. In this paper, we analyze the performance, particularly the throughput (tokens generated per unit of time), of 20 LLMs using two inference libraries: vLLM and HuggingFace's pipelines. We investigate how various hyperparameters, which developers must configure, influence inference performance. Our results reveal that throughput landscapes are irregular, with distinct peaks, highlighting the importance of hyperparameter optimization to achieve maximum performance. We also show that applying hyperparameter optimization when upgrading or downgrading the GPU model used for inference can improve throughput from HuggingFace pipelines by an average of 9.16% and 13.7%, respectively.

Large Multimodal Models (LMMs) excel in visual-language tasks by leveraging numerous visual tokens for fine-grained visual information, but this token redundancy results in significant computational costs. Previous research aimed at reducing visual tokens during inference typically leverages importance maps derived from attention scores among vision-only tokens or vision-language tokens to prune tokens across one or multiple pruning stages. Despite this progress, pruning frameworks and strategies remain simplistic and insufficiently explored, often resulting in substantial performance degradation. In this paper, we propose VFlowOpt, a token pruning framework that introduces an importance map derivation process and a progressive pruning module with a recycling mechanism. The hyperparameters of its pruning strategy are further optimized by a visual information flow-guided method. Specifically, we compute an importance map for image tokens based on their attention-derived context relevance and patch-level information entropy. We then decide which tokens to retain or prune and aggregate the pruned ones as recycled tokens to avoid potential information loss. Finally, we apply a visual information flow-guided method that regards the last token in the LMM as the most representative signal of text-visual interactions. This method minimizes the discrepancy between token representations in LMMs with and without pruning, thereby enabling superior pruning strategies tailored to different LMMs. Experiments demonstrate that VFlowOpt can prune 90% of visual tokens while maintaining comparable performance, leading to an 89% reduction in KV-Cache memory and 3.8 times faster inference.

Large Language Models (LLMs) have sparked significant interest in their generative capabilities, leading to the development of various commercial applications. The high cost of using the models drives application builders to maximize the value of generation under a limited inference budget. This paper presents a study of optimizing inference hyperparameters such as the number of responses, temperature and max tokens, which significantly affects the utility/cost of text generation. We design a framework named EcoOptiGen which leverages economical hyperparameter optimization and cost-based pruning. Experiments with the GPT-3.5/GPT-4 models on a variety of tasks verify its effectiveness. EcoOptiGen is implemented in the `autogen' package of the FLAML library: https://aka.ms/autogen.

Instruction tuning large language models (LLMs) remains a challenging task, owing to the complexity of hyperparameter selection and the difficulty involved in evaluating the tuned models. To determine the optimal hyperparameters, an automatic, robust, and reliable evaluation benchmark is essential. However, establishing such a benchmark is not a trivial task due to the challenges associated with evaluation accuracy and privacy protection. In response to these challenges, we introduce a judge large language model, named PandaLM, which is trained to distinguish the superior model given several LLMs. PandaLM's focus extends beyond just the objective correctness of responses, which is the main focus of traditional evaluation datasets. It addresses vital subjective factors such as relative conciseness, clarity, adherence to instructions, comprehensiveness, and formality. To ensure the reliability of PandaLM, we collect a diverse human-annotated test dataset, where all contexts are generated by humans and labels are aligned with human preferences. Our results indicate that PandaLM-7B achieves 93.75% of GPT-3.5's evaluation ability and 88.28% of GPT-4's in terms of F1-score on our test dataset. PandaLM enables the evaluation of LLM to be fairer but with less cost, evidenced by significant improvements achieved by models tuned through PandaLM compared to their counterparts trained with default Alpaca's hyperparameters. In addition, PandaLM does not depend on API-based evaluations, thus avoiding potential data leakage. All resources of PandaLM are released at https://github.com/WeOpenML/PandaLM.

We develop a method for training small-scale (under 100M parameter) neural information retrieval models with as few as 10 gold relevance labels. The method depends on generating synthetic queries for documents using a language model (LM), and the key step is that we automatically optimize the LM prompt that is used to generate these queries based on training quality. In experiments with the BIRCO benchmark, we find that models trained with our method outperform RankZephyr and are competitive with RankLLama, both of which are 7B parameter models trained on over 100K labels. These findings point to the power of automatic prompt optimization for synthetic dataset generation.

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

We consider the distributionally robust optimization (DRO) problem with spectral risk-based uncertainty set and f-divergence penalty. This formulation includes common risk-sensitive learning objectives such as regularized condition value-at-risk (CVaR) and average top-k loss. We present Prospect, a stochastic gradient-based algorithm that only requires tuning a single learning rate hyperparameter, and prove that it enjoys linear convergence for smooth regularized losses. This contrasts with previous algorithms that either require tuning multiple hyperparameters or potentially fail to converge due to biased gradient estimates or inadequate regularization. Empirically, we show that Prospect can converge 2-3times faster than baselines such as stochastic gradient and stochastic saddle-point methods on distribution shift and fairness benchmarks spanning tabular, vision, and language domains.

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains.

Convolutional Neural Networks (CNN) have gained great success in many artificial intelligence tasks. However, finding a good set of hyperparameters for a CNN remains a challenging task. It usually takes an expert with deep knowledge, and trials and errors. Genetic algorithms have been used in hyperparameter optimizations. However, traditional genetic algorithms with fixed-length chromosomes may not be a good fit for optimizing deep learning hyperparameters, because deep learning models have variable number of hyperparameters depending on the model depth. As the depth increases, the number of hyperparameters grows exponentially, and searching becomes exponentially harder. It is important to have an efficient algorithm that can find a good model in reasonable time. In this article, we propose to use a variable length genetic algorithm (GA) to systematically and automatically tune the hyperparameters of a CNN to improve its performance. Experimental results show that our algorithm can find good CNN hyperparameters efficiently. It is clear from our experiments that if more time is spent on optimizing the hyperparameters, better results could be achieved. Theoretically, if we had unlimited time and CPU power, we could find the optimized hyperparameters and achieve the best results in the future.

In this paper, we give an in-depth analysis on the mathematical problem formulations and the probabilistic optimization explorations for some of the key components in Transformer model [33] in the field of generative AI. We explore and discuss some potential further enhancement for current state of the art methods for some key underlying technologies of generative AI models from algorithmic and probabilistic optimization perspective. In particular, we present an optimal solution for sub-word encoding (SWE) based on similar initial settings as that of byte-pair encoding (BPE) algorithm in [9] with similar objectives as that of WordPiece approach in [28, 31] to maximize the likelihood of the training data. We also present cross entropy optimization method to optimize hyperparameters for word2vec model [17]. In addition, we propose a factored combination of rotary positional encoding (RoPE) [32] and attention with linear biases (ALiBi) [23] with a harmonic series. We also present a probabilistic FlashAttention [6, 7] (PrFlashAttention) method with a probability distribution over block distances in the matrix to decide which block is likely to participate in a given round of attention computation while maintaining the lower triangle shape of the tensor for autoregressive language models by re-shaping the tensors. Finally, we present staircase adaptive quantization (SAQ) of key-value (KV) cache for multi-query attention (MQA) based on the framework presented in [16] to have gradual quantization degradation while achieving reasonable model quality and cost savings.

Hyperparameter tuning of deep learning models can lead to order-of-magnitude performance gains for the same amount of compute. Despite this, systematic tuning is uncommon, particularly for large models, which are expensive to evaluate and tend to have many hyperparameters, necessitating difficult judgment calls about tradeoffs, budgets, and search bounds. To address these issues and propose a practical method for robustly tuning large models, we present Cost-Aware Pareto Region Bayesian Search (CARBS), a Bayesian optimization algorithm that performs local search around the performance-cost Pareto frontier. CARBS does well even in unbounded search spaces with many hyperparameters, learns scaling relationships so that it can tune models even as they are scaled up, and automates much of the "black magic" of tuning. Among our results, we effectively solve the entire ProcGen benchmark just by tuning a simple baseline (PPO, as provided in the original ProcGen paper). We also reproduce the model size vs. training tokens scaling result from the Chinchilla project (Hoffmann et al. 2022), while simultaneously discovering scaling laws for every other hyperparameter, via an easy automated process that uses significantly less compute and is applicable to any deep learning problem (not just language models).

Membership Inference Attacks (MIAs) have emerged as a valuable framework for evaluating privacy leakage by machine learning models. Score-based MIAs are distinguished, in particular, by their ability to exploit the confidence scores that the model generates for particular inputs. Existing score-based MIAs implicitly assume that the adversary has access to the target model's hyperparameters, which can be used to train the shadow models for the attack. In this work, we demonstrate that the knowledge of target hyperparameters is not a prerequisite for MIA in the transfer learning setting. Based on this, we propose a novel approach to select the hyperparameters for training the shadow models for MIA when the attacker has no prior knowledge about them by matching the output distributions of target and shadow models. We demonstrate that using the new approach yields hyperparameters that lead to an attack near indistinguishable in performance from an attack that uses target hyperparameters to train the shadow models. Furthermore, we study the empirical privacy risk of unaccounted use of training data for hyperparameter optimization (HPO) in differentially private (DP) transfer learning. We find no statistically significant evidence that performing HPO using training data would increase vulnerability to MIA.

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

This paper provides the first tight convergence analyses for RMSProp and Adam in non-convex optimization under the most relaxed assumptions of coordinate-wise generalized smoothness and affine noise variance. We first analyze RMSProp, which is a special case of Adam with adaptive learning rates but without first-order momentum. Specifically, to solve the challenges due to dependence among adaptive update, unbounded gradient estimate and Lipschitz constant, we demonstrate that the first-order term in the descent lemma converges and its denominator is upper bounded by a function of gradient norm. Based on this result, we show that RMSProp with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). We then generalize our analysis to Adam, where the additional challenge is due to a mismatch between the gradient and first-order momentum. We develop a new upper bound on the first-order term in the descent lemma, which is also a function of the gradient norm. We show that Adam with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). Our complexity results for both RMSProp and Adam match with the complexity lower bound established in arjevani2023lower.

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex problems. The recent introduction of multi-objective reinforcement learning (MORL) has further expanded the scope of RL by enabling agents to make trade-offs among multiple objectives. This advancement not only has broadened the range of problems that can be tackled but also created numerous opportunities for exploration and advancement. Yet, the effectiveness of RL agents heavily relies on appropriately setting their hyperparameters. In practice, this task often proves to be challenging, leading to unsuccessful deployments of these techniques in various instances. Hence, prior research has explored hyperparameter optimization in RL to address this concern. This paper presents an initial investigation into the challenge of hyperparameter optimization specifically for MORL. We formalize the problem, highlight its distinctive challenges, and propose a systematic methodology to address it. The proposed methodology is applied to a well-known environment using a state-of-the-art MORL algorithm, and preliminary results are reported. Our findings indicate that the proposed methodology can effectively provide hyperparameter configurations that significantly enhance the performance of MORL agents. Furthermore, this study identifies various future research opportunities to further advance the field of hyperparameter optimization for MORL.

We address a persistent challenge in text-to-image models: accurately generating a specified number of objects. Current models, which learn from image-text pairs, inherently struggle with counting, as training data cannot depict every possible number of objects for any given object. To solve this, we propose optimizing the generated image based on a counting loss derived from a counting model that aggregates an object\'s potential. Employing an out-of-the-box counting model is challenging for two reasons: first, the model requires a scaling hyperparameter for the potential aggregation that varies depending on the viewpoint of the objects, and second, classifier guidance techniques require modified models that operate on noisy intermediate diffusion steps. To address these challenges, we propose an iterated online training mode that improves the accuracy of inferred images while altering the text conditioning embedding and dynamically adjusting hyperparameters. Our method offers three key advantages: (i) it can consider non-derivable counting techniques based on detection models, (ii) it is a zero-shot plug-and-play solution facilitating rapid changes to the counting techniques and image generation methods, and (iii) the optimized counting token can be reused to generate accurate images without additional optimization. We evaluate the generation of various objects and show significant improvements in accuracy. The project page is available at https://ozzafar.github.io/count_token.

Second-order optimization has been developed to accelerate the training of deep neural networks and it is being applied to increasingly larger-scale models. In this study, towards training on further larger scales, we identify a specific parameterization for second-order optimization that promotes feature learning in a stable manner even if the network width increases significantly. Inspired by a maximal update parameterization, we consider a one-step update of the gradient and reveal the appropriate scales of hyperparameters including random initialization, learning rates, and damping terms. Our approach covers two major second-order optimization algorithms, K-FAC and Shampoo, and we demonstrate that our parameterization achieves higher generalization performance in feature learning. In particular, it enables us to transfer the hyperparameters across models with different widths.

We introduce a framework based on bilevel programming that unifies gradient-based hyperparameter optimization and meta-learning. We show that an approximate version of the bilevel problem can be solved by taking into explicit account the optimization dynamics for the inner objective. Depending on the specific setting, the outer variables take either the meaning of hyperparameters in a supervised learning problem or parameters of a meta-learner. We provide sufficient conditions under which solutions of the approximate problem converge to those of the exact problem. We instantiate our approach for meta-learning in the case of deep learning where representation layers are treated as hyperparameters shared across a set of training episodes. In experiments, we confirm our theoretical findings, present encouraging results for few-shot learning and contrast the bilevel approach against classical approaches for learning-to-learn.

Large language models (LLMs) often contain misleading content, emphasizing the need to align them with human values to ensure secur AI systems. Reinforcement learning from human feedback (RLHF) has been employed to achieve this alignment by combining a reward model, typically based on Bradley-Terry paired comparison, with an RL algorithm such as Proximal Policy Optimization (PPO) to optimize LLM responses. However, RLHF exhibits complexity, instability, and sensitivity to hyperparameters. In this paper, we propose Preference Ranking Optimization (PRO) as an alternative to PPO for directly aligning LLMs with the Bradley-Terry comparison. PRO extends the pairwise Bradley-Terry comparison to accommodate preference rankings of any length. By iteratively contrasting the likelihood of generating responses, PRO instructs the LLM to prioritize the best response while progressively ranking the remaining responses. In this manner, PRO effectively transforms human alignment into aligning the probability ranking of n responses generated by LLM with the preference ranking of humans towards these responses. Experiments have shown that PRO outperforms existing alignment algorithms, achieving comparable results to ChatGPT and human responses through automatic-based, reward-based, GPT-4, and human evaluations. Furthermore, we demonstrate that longer, more diverse, and higher-quality preference ranking sequences can consistently enhance the performance of human alignment.

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a black-box optimization problem. However, gray-box HPO methods, which incorporate more information about the setup, have emerged as a promising direction for more efficient optimization. For example, using intermediate loss evaluations to terminate bad selections. In this work, we propose an HPO method for neural networks using logged checkpoints of the trained weights to guide future hyperparameter selections. Our method, Forecasting Model Search (FMS), embeds weights into a Gaussian process deep kernel surrogate model, using a permutation-invariant graph metanetwork to be data-efficient with the logged network weights. To facilitate reproducibility and further research, we open-source our code at https://github.com/NVlabs/forecasting-model-search.

The learning rate (LR) schedule is one of the most important hyper-parameters needing careful tuning in training DNNs. However, it is also one of the least automated parts of machine learning systems and usually costs significant manual effort and computing. Though there are pre-defined LR schedules and optimizers with adaptive LR, they introduce new hyperparameters that need to be tuned separately for different tasks/datasets. In this paper, we consider the question: Can we automatically tune the LR over the course of training without human involvement? We propose an efficient method, AutoLRS, which automatically optimizes the LR for each training stage by modeling training dynamics. AutoLRS aims to find an LR applied to every tau steps that minimizes the resulted validation loss. We solve this black-box optimization on the fly by Bayesian optimization (BO). However, collecting training instances for BO requires a system to evaluate each LR queried by BO's acquisition function for tau steps, which is prohibitively expensive in practice. Instead, we apply each candidate LR for only tau'lltau steps and train an exponential model to predict the validation loss after tau steps. This mutual-training process between BO and the loss-prediction model allows us to limit the training steps invested in the BO search. We demonstrate the advantages and the generality of AutoLRS through extensive experiments of training DNNs for tasks from diverse domains using different optimizers. The LR schedules auto-generated by AutoLRS lead to a speedup of 1.22times, 1.43times, and 1.5times when training ResNet-50, Transformer, and BERT, respectively, compared to the LR schedules in their original papers, and an average speedup of 1.31times over state-of-the-art heavily-tuned LR schedules.

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing benchmarks that are cheap to evaluate, but still represent realistic use cases. We believe these benchmarks provide an easy and efficient way to conduct reproducible experiments for neural hyperparameter search. Our benchmarks consist of a large grid of configurations of a feed forward neural network on four different regression datasets including architectural hyperparameters and hyperparameters concerning the training pipeline. Based on this data, we performed an in-depth analysis to gain a better understanding of the properties of the optimization problem, as well as of the importance of different types of hyperparameters. Second, we exhaustively compared various different state-of-the-art methods from the hyperparameter optimization literature on these benchmarks in terms of performance and robustness.

The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, is simpler to implement. It solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.

We say an algorithm is batch size-invariant if changes to the batch size can largely be compensated for by changes to other hyperparameters. Stochastic gradient descent is well-known to have this property at small batch sizes, via the learning rate. However, some policy optimization algorithms (such as PPO) do not have this property, because of how they control the size of policy updates. In this work we show how to make these algorithms batch size-invariant. Our key insight is to decouple the proximal policy (used for controlling policy updates) from the behavior policy (used for off-policy corrections). Our experiments help explain why these algorithms work, and additionally show how they can make more efficient use of stale data.

Performance of machine learning algorithms depends critically on identifying a good set of hyperparameters. While recent approaches use Bayesian optimization to adaptively select configurations, we focus on speeding up random search through adaptive resource allocation and early-stopping. We formulate hyperparameter optimization as a pure-exploration non-stochastic infinite-armed bandit problem where a predefined resource like iterations, data samples, or features is allocated to randomly sampled configurations. We introduce a novel algorithm, Hyperband, for this framework and analyze its theoretical properties, providing several desirable guarantees. Furthermore, we compare Hyperband with popular Bayesian optimization methods on a suite of hyperparameter optimization problems. We observe that Hyperband can provide over an order-of-magnitude speedup over our competitor set on a variety of deep-learning and kernel-based learning problems.

We describe an iterative procedure for optimizing policies, with guaranteed monotonic improvement. By making several approximations to the theoretically-justified procedure, we develop a practical algorithm, called Trust Region Policy Optimization (TRPO). This algorithm is similar to natural policy gradient methods and is effective for optimizing large nonlinear policies such as neural networks. Our experiments demonstrate its robust performance on a wide variety of tasks: learning simulated robotic swimming, hopping, and walking gaits; and playing Atari games using images of the screen as input. Despite its approximations that deviate from the theory, TRPO tends to give monotonic improvement, with little tuning of hyperparameters.

Obtaining versions of deep neural networks that are both highly-accurate and highly-sparse is one of the main challenges in the area of model compression, and several high-performance pruning techniques have been investigated by the community. Yet, much less is known about the interaction between sparsity and the standard stochastic optimization techniques used for training sparse networks, and most existing work uses standard dense schedules and hyperparameters for training sparse networks. In this work, we examine the impact of high sparsity on model training using the standard computer vision and natural language processing sparsity benchmarks. We begin by showing that using standard dense training recipes for sparse training is suboptimal, and results in under-training. We provide new approaches for mitigating this issue for both sparse pre-training of vision models (e.g. ResNet50/ImageNet) and sparse fine-tuning of language models (e.g. BERT/GLUE), achieving state-of-the-art results in both settings in the high-sparsity regime, and providing detailed analyses for the difficulty of sparse training in both scenarios. Our work sets a new threshold in terms of the accuracies that can be achieved under high sparsity, and should inspire further research into improving sparse model training, to reach higher accuracies under high sparsity, but also to do so efficiently.

With the increasing computational costs associated with deep learning, automated hyperparameter optimization methods, strongly relying on black-box Bayesian optimization (BO), face limitations. Freeze-thaw BO offers a promising grey-box alternative, strategically allocating scarce resources incrementally to different configurations. However, the frequent surrogate model updates inherent to this approach pose challenges for existing methods, requiring retraining or fine-tuning their neural network surrogates online, introducing overhead, instability, and hyper-hyperparameters. In this work, we propose FT-PFN, a novel surrogate for Freeze-thaw style BO. FT-PFN is a prior-data fitted network (PFN) that leverages the transformers' in-context learning ability to efficiently and reliably do Bayesian learning curve extrapolation in a single forward pass. Our empirical analysis across three benchmark suites shows that the predictions made by FT-PFN are more accurate and 10-100 times faster than those of the deep Gaussian process and deep ensemble surrogates used in previous work. Furthermore, we show that, when combined with our novel acquisition mechanism (MFPI-random), the resulting in-context freeze-thaw BO method (ifBO), yields new state-of-the-art performance in the same three families of deep learning HPO benchmarks considered in prior work.

Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit (muP and its depth extension), then some hyperparameters - such as the learning rate - exhibit transfer from small to very large models, thus reducing the cost of hyperparameter tuning. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is remarkably consistent across very different model sizes. In this work, we find empirical evidence that learning rate transfer can be attributed to the fact that under muP and its depth extension, the largest eigenvalue of the training loss Hessian (i.e. the sharpness) is largely independent of the width and depth of the network for a sustained period of training time. On the other hand, we show that under the neural tangent kernel (NTK) regime, the sharpness exhibits very different dynamics at different scales, thus preventing learning rate transfer. But what causes these differences in the sharpness dynamics? Through a connection between the spectra of the Hessian and the NTK matrix, we argue that the cause lies in the presence (for muP) or progressive absence (for the NTK regime) of feature learning, which results in a different evolution of the NTK, and thus of the sharpness. We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText

While Retrieval Augmented Generation (RAG) has emerged as a popular technique for improving Large Language Model (LLM) systems, it introduces a large number of choices, parameters and hyperparameters that must be made or tuned. This includes the LLM, embedding, and ranker models themselves, as well as hyperparameters governing individual RAG components. Yet, collectively optimizing the entire configuration in a RAG or LLM system remains under-explored - especially in multi-objective settings - due to intractably large solution spaces, noisy objective evaluations, and the high cost of evaluations. In this work, we introduce the first approach for multi-objective parameter optimization of cost, latency, safety and alignment over entire LLM and RAG systems. We find that Bayesian optimization methods significantly outperform baseline approaches, obtaining a superior Pareto front on two new RAG benchmark tasks. We conclude our work with important considerations for practitioners who are designing multi-objective RAG systems, highlighting nuances such as how optimal configurations may not generalize across tasks and objectives.

The optimization algorithm and its hyperparameters can significantly affect the training speed and resulting model accuracy in machine learning applications. The wish list for an ideal optimizer includes fast and smooth convergence to low error, low computational demand, and general applicability. Our recently introduced continual resilient (CoRe) optimizer has shown superior performance compared to other state-of-the-art first-order gradient-based optimizers for training lifelong machine learning potentials. In this work we provide an extensive performance comparison of the CoRe optimizer and nine other optimization algorithms including the Adam optimizer and resilient backpropagation (RPROP) for diverse machine learning tasks. We analyze the influence of different hyperparameters and provide generally applicable values. The CoRe optimizer yields best or competitive performance in every investigated application, while only one hyperparameter needs to be changed depending on mini-batch or batch learning.

The Combined Algorithm Selection and Hyperparameter optimization (CASH) is one of the most fundamental problems in Automatic Machine Learning (AutoML). The existing Bayesian optimization (BO) based solutions turn the CASH problem into a Hyperparameter Optimization (HPO) problem by combining the hyperparameters of all machine learning (ML) algorithms, and use BO methods to solve it. As a result, these methods suffer from the low-efficiency problem due to the huge hyperparameter space in CASH. To alleviate this issue, we propose the alternating optimization framework, where the HPO problem for each ML algorithm and the algorithm selection problem are optimized alternately. In this framework, the BO methods are used to solve the HPO problem for each ML algorithm separately, incorporating a much smaller hyperparameter space for BO methods. Furthermore, we introduce Rising Bandits, a CASH-oriented Multi-Armed Bandits (MAB) variant, to model the algorithm selection in CASH. This framework can take the advantages of both BO in solving the HPO problem with a relatively small hyperparameter space and the MABs in accelerating the algorithm selection. Moreover, we further develop an efficient online algorithm to solve the Rising Bandits with provably theoretical guarantees. The extensive experiments on 30 OpenML datasets demonstrate the superiority of the proposed approach over the competitive baselines.

Robust Fine-Tuning (RFT) is a low-cost strategy to obtain adversarial robustness in downstream applications, without requiring a lot of computational resources and collecting significant amounts of data. This paper uncovers an issue with the existing RFT, where optimizing both adversarial and natural objectives through the feature extractor (FE) yields significantly divergent gradient directions. This divergence introduces instability in the optimization process, thereby hindering the attainment of adversarial robustness and rendering RFT highly sensitive to hyperparameters. To mitigate this issue, we propose a low-rank (LoRa) branch that disentangles RFT into two distinct components: optimizing natural objectives via the LoRa branch and adversarial objectives via the FE. Besides, we introduce heuristic strategies for automating the scheduling of the learning rate and the scalars of loss terms. Extensive empirical evaluations demonstrate that our proposed automated RFT disentangled via the LoRa branch (AutoLoRa) achieves new state-of-the-art results across a range of downstream tasks. AutoLoRa holds significant practical utility, as it automatically converts a pre-trained FE into an adversarially robust model for downstream tasks without the need for searching hyperparameters.

Diffusion models and Flow Matching generate high-quality samples but are slow at inference, and distilling them into few-step models often leads to instability and extensive tuning. To resolve these trade-offs, we propose Inductive Moment Matching (IMM), a new class of generative models for one- or few-step sampling with a single-stage training procedure. Unlike distillation, IMM does not require pre-training initialization and optimization of two networks; and unlike Consistency Models, IMM guarantees distribution-level convergence and remains stable under various hyperparameters and standard model architectures. IMM surpasses diffusion models on ImageNet-256x256 with 1.99 FID using only 8 inference steps and achieves state-of-the-art 2-step FID of 1.98 on CIFAR-10 for a model trained from scratch.

While early AutoML frameworks focused on optimizing traditional ML pipelines and their hyperparameters, a recent trend in AutoML is to focus on neural architecture search. In this paper, we introduce Auto-PyTorch, which brings the best of these two worlds together by jointly and robustly optimizing the architecture of networks and the training hyperparameters to enable fully automated deep learning (AutoDL). Auto-PyTorch achieves state-of-the-art performance on several tabular benchmarks by combining multi-fidelity optimization with portfolio construction for warmstarting and ensembling of deep neural networks (DNNs) and common baselines for tabular data. To thoroughly study our assumptions on how to design such an AutoDL system, we additionally introduce a new benchmark on learning curves for DNNs, dubbed LCBench, and run extensive ablation studies of the full Auto-PyTorch on typical AutoML benchmarks, eventually showing that Auto-PyTorch performs better than several state-of-the-art competitors on average.

Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant progress has been made recently in offline model-based reinforcement learning, approaches which leverage a learned dynamics model. This typically involves constructing a probabilistic model, and using the model uncertainty to penalize rewards where there is insufficient data, solving for a pessimistic MDP that lower bounds the true MDP. Existing methods, however, exhibit a breakdown between theory and practice, whereby pessimistic return ought to be bounded by the total variation distance of the model from the true dynamics, but is instead implemented through a penalty based on estimated model uncertainty. This has spawned a variety of uncertainty heuristics, with little to no comparison between differing approaches. In this paper, we compare these heuristics, and design novel protocols to investigate their interaction with other hyperparameters, such as the number of models, or imaginary rollout horizon. Using these insights, we show that selecting these key hyperparameters using Bayesian Optimization produces superior configurations that are vastly different to those currently used in existing hand-tuned state-of-the-art methods, and result in drastically stronger performance.

As a cornerstone in the Evolutionary Computation (EC) domain, Differential Evolution (DE) is known for its simplicity and effectiveness in handling challenging black-box optimization problems. While the advantages of DE are well-recognized, achieving peak performance heavily depends on its hyperparameters such as the mutation factor, crossover probability, and the selection of specific DE strategies. Traditional approaches to this hyperparameter dilemma have leaned towards parameter tuning or adaptive mechanisms. However, identifying the optimal settings tailored for specific problems remains a persistent challenge. In response, we introduce MetaDE, an approach that evolves DE's intrinsic hyperparameters and strategies using DE itself at a meta-level. A pivotal aspect of MetaDE is a specialized parameterization technique, which endows it with the capability to dynamically modify DE's parameters and strategies throughout the evolutionary process. To augment computational efficiency, MetaDE incorporates a design that leverages parallel processing through a GPU-accelerated computing framework. Within such a framework, DE is not just a solver but also an optimizer for its own configurations, thus streamlining the process of hyperparameter optimization and problem-solving into a cohesive and automated workflow. Extensive evaluations on the CEC2022 benchmark suite demonstrate MetaDE's promising performance. Moreover, when applied to robot control via evolutionary reinforcement learning, MetaDE also demonstrates promising performance. The source code of MetaDE is publicly accessible at: https://github.com/EMI-Group/metade.

It is widely believed that the implicit regularization of SGD is fundamental to the impressive generalization behavior we observe in neural networks. In this work, we demonstrate that non-stochastic full-batch training can achieve comparably strong performance to SGD on CIFAR-10 using modern architectures. To this end, we show that the implicit regularization of SGD can be completely replaced with explicit regularization even when comparing against a strong and well-researched baseline. Our observations indicate that the perceived difficulty of full-batch training may be the result of its optimization properties and the disproportionate time and effort spent by the ML community tuning optimizers and hyperparameters for small-batch training.

Large Language Models (LLMs) are driving advancements in artificial intelligence by increasing the scale of model parameters, which has significantly enhanced generalization ability and unlocked new capabilities in practice. However, their performance in specific downstream tasks is usually hindered by their knowledge boundaries on these tasks. Thus, fine-tuning techniques, especially the widely used Low-Rank Adaptation (LoRA) method, have been introduced to expand the boundaries on these tasks, whereas LoRA would underperform on certain tasks owing to its potential overfitting on these tasks. To overcome this overfitting and improve the performance of LoRA, we propose the flexible low rank adaptation (Flexora) method to automatically and flexibly select the most important layers needing to be fine-tuned to achieve the best performance on different downstream tasks. Specifically, Flexora firstly frames this layer selection problem as a well-defined hyperparameter optimization (HPO) problem, then addresses it using the unrolled differentiation (UD) method, and finally selects the most useful layers based on the optimized hyperparameters. Our extensive experiments on many pretrained models and natural language tasks show that Flexora is able to consistently improve over the existing baselines, indicating the effectiveness of our Flexora in practice. We additionally provide insightful theoretical results and many ablation studies to deliver a comprehensive understanding of our Flexora.

We extend first-order model agnostic meta-learning algorithms (including FOMAML and Reptile) to image segmentation, present a novel neural network architecture built for fast learning which we call EfficientLab, and leverage a formal definition of the test error of meta-learning algorithms to decrease error on out of distribution tasks. We show state of the art results on the FSS-1000 dataset by meta-training EfficientLab with FOMAML and using Bayesian optimization to infer the optimal test-time adaptation routine hyperparameters. We also construct a small benchmark dataset, FP-k, for the empirical study of how meta-learning systems perform in both few- and many-shot settings. On the FP-k dataset, we show that meta-learned initializations provide value for canonical few-shot image segmentation but their performance is quickly matched by conventional transfer learning with performance being equal beyond 10 labeled examples. Our code, meta-learned model, and the FP-k dataset are available at https://github.com/ml4ai/mliis .

Differentially Private (DP) learning has seen limited success for building large deep learning models of text, and straightforward attempts at applying Differentially Private Stochastic Gradient Descent (DP-SGD) to NLP tasks have resulted in large performance drops and high computational overhead. We show that this performance drop can be mitigated with (1) the use of large pretrained language models; (2) non-standard hyperparameters that suit DP optimization; and (3) fine-tuning objectives which are aligned with the pretraining procedure. With the above, we obtain NLP models that outperform state-of-the-art DP-trained models under the same privacy budget and strong non-private baselines -- by directly fine-tuning pretrained models with DP optimization on moderately-sized corpora. To address the computational challenge of running DP-SGD with large Transformers, we propose a memory saving technique that allows clipping in DP-SGD to run without instantiating per-example gradients for any linear layer in the model. The technique enables privately training Transformers with almost the same memory cost as non-private training at a modest run-time overhead. Contrary to conventional wisdom that DP optimization fails at learning high-dimensional models (due to noise that scales with dimension) empirical results reveal that private learning with pretrained language models doesn't tend to suffer from dimension-dependent performance degradation. Code to reproduce results can be found at https://github.com/lxuechen/private-transformers.

Over the centuries, humans have developed and acquired a number of ways to communicate. But hardly any of them can be as natural and instinctive as facial expressions. On the other hand, neural networks have taken the world by storm. And no surprises, that the area of Computer Vision and the problem of facial expressions recognitions hasn't remained untouched. Although a wide range of techniques have been applied, achieving extremely high accuracies and preparing highly robust FER systems still remains a challenge due to heterogeneous details in human faces. In this paper, we will be deep diving into implementing a system for recognition of facial expressions (FER) by leveraging neural networks, and more specifically, Convolutional Neural Networks (CNNs). We adopt the fundamental concepts of deep learning and computer vision with various architectures, fine-tune it's hyperparameters and experiment with various optimization methods and demonstrate a state-of-the-art single-network-accuracy of 70.10% on the FER2013 dataset without using any additional training data.

AI tasks encompass a wide range of domains and fields. While numerous AI models have been designed for specific tasks and applications, they often require considerable human efforts in finding the right model architecture, optimization algorithm, and hyperparameters. Recent advances in large language models (LLMs) like ChatGPT show remarkable capabilities in various aspects of reasoning, comprehension, and interaction. Consequently, we propose developing task-oriented prompts and automatically utilizing LLMs to automate the training pipeline. To implement this concept, we present the AutoML-GPT, which employs GPT as the bridge to diverse AI models and dynamically trains models with optimized hyperparameters. AutoML-GPT dynamically takes user requests from the model and data cards and composes the corresponding prompt paragraph. Ultimately, with this prompt paragraph, AutoML-GPT will automatically conduct the experiments from data processing to model architecture, hyperparameter tuning, and predicted training log. By leveraging {\ours}'s robust language capabilities and the available AI models, AutoML-GPT can tackle numerous intricate AI tasks across various tasks and datasets. This approach achieves remarkable results in computer vision, natural language processing, and other challenging areas. Extensive experiments and ablation studies demonstrate that our method can be general, effective, and beneficial for many AI tasks.

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

Hyperparameter optimization (HPO) is concerned with the automated search for the most appropriate hyperparameter configuration (HPC) of a parameterized machine learning algorithm. A state-of-the-art HPO method is Hyperband, which, however, has its own parameters that influence its performance. One of these parameters, the maximal budget, is especially problematic: If chosen too small, the budget needs to be increased in hindsight and, as Hyperband is not incremental by design, the entire algorithm must be re-run. This is not only costly but also comes with a loss of valuable knowledge already accumulated. In this paper, we propose incremental variants of Hyperband that eliminate these drawbacks, and show that these variants satisfy theoretical guarantees qualitatively similar to those for the original Hyperband with the "right" budget. Moreover, we demonstrate their practical utility in experiments with benchmark data sets.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

3D Gaussian Splatting (3DGS) is increasingly popular for 3D reconstruction due to its superior visual quality and rendering speed. However, 3DGS training currently occurs on a single GPU, limiting its ability to handle high-resolution and large-scale 3D reconstruction tasks due to memory constraints. We introduce Grendel, a distributed system designed to partition 3DGS parameters and parallelize computation across multiple GPUs. As each Gaussian affects a small, dynamic subset of rendered pixels, Grendel employs sparse all-to-all communication to transfer the necessary Gaussians to pixel partitions and performs dynamic load balancing. Unlike existing 3DGS systems that train using one camera view image at a time, Grendel supports batched training with multiple views. We explore various optimization hyperparameter scaling strategies and find that a simple sqrt(batch size) scaling rule is highly effective. Evaluations using large-scale, high-resolution scenes show that Grendel enhances rendering quality by scaling up 3DGS parameters across multiple GPUs. On the Rubble dataset, we achieve a test PSNR of 27.28 by distributing 40.4 million Gaussians across 16 GPUs, compared to a PSNR of 26.28 using 11.2 million Gaussians on a single GPU. Grendel is an open-source project available at: https://github.com/nyu-systems/Grendel-GS

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

Selecting hyperparameters in deep learning greatly impacts its effectiveness but requires manual effort and expertise. Recent works show that Bayesian model selection with Laplace approximations can allow to optimize such hyperparameters just like standard neural network parameters using gradients and on the training data. However, estimating a single hyperparameter gradient requires a pass through the entire dataset, limiting the scalability of such algorithms. In this work, we overcome this issue by introducing lower bounds to the linearized Laplace approximation of the marginal likelihood. In contrast to previous estimators, these bounds are amenable to stochastic-gradient-based optimization and allow to trade off estimation accuracy against computational complexity. We derive them using the function-space form of the linearized Laplace, which can be estimated using the neural tangent kernel. Experimentally, we show that the estimators can significantly accelerate gradient-based hyperparameter optimization.

Hyperparameter optimization (HPO) is crucial for fine-tuning machine learning models but can be computationally expensive. To reduce costs, Multi-fidelity HPO (MF-HPO) leverages intermediate accuracy levels in the learning process and discards low-performing models early on. We compared various representative MF-HPO methods against a simple baseline on classical benchmark data. The baseline involved discarding all models except the Top-K after training for only one epoch, followed by further training to select the best model. Surprisingly, this baseline achieved similar results to its counterparts, while requiring an order of magnitude less computation. Upon analyzing the learning curves of the benchmark data, we observed a few dominant learning curves, which explained the success of our baseline. This suggests that researchers should (1) always use the suggested baseline in benchmarks and (2) broaden the diversity of MF-HPO benchmarks to include more complex cases.

Reinforcement learning is essential for neural architecture search and hyperparameter optimization, but the conventional approaches impede widespread use due to prohibitive time and computational costs. Inspired by DeepSeek-V3 multi-token prediction architecture, we propose Sequential Policy Gradient modeling (SPG), a novel trajectory generation paradigm for lightweight online hyperparameter optimization. In contrast to conventional policy gradient methods, SPG extends the base model with temporary modules, enabling it to generate state-action (padded) trajectories in a single forward pass. Our experiments demonstrate that models gain performance when retrained with SPG on their original datasets and also outperform standard transfer fine-tuning. We evaluate on five datasets spanning computer vision (ImageNet, COCO), natural language processing (GLUE, SQuAD), and audio (SUPERB) to assess the industrial applicability of SPG. The proposed method demonstrates consistent improvements across widely adopted models, achieving performance gains of +0.2sim7%, with significantly low computational costs. Fully reproducible code and pre-trained models: https://huggingface.co/UniversalAlgorithmic/SPG.

Accurate forecasting of electrical demand is essential for maintaining a stable and reliable power grid, optimizing the allocation of energy resources, and promoting efficient energy consumption practices. This study investigates the effectiveness of five hyperparameter optimization (HPO) algorithms -- Random Search, Covariance Matrix Adaptation Evolution Strategy (CMA--ES), Bayesian Optimization, Partial Swarm Optimization (PSO), and Nevergrad Optimizer (NGOpt) across univariate and multivariate Short-Term Load Forecasting (STLF) tasks. Using the Panama Electricity dataset (n=48,049), we evaluate HPO algorithms' performances on a surrogate forecasting algorithm, XGBoost, in terms of accuracy (i.e., MAPE, R^2) and runtime. Performance plots visualize these metrics across varying sample sizes from 1,000 to 20,000, and Kruskal--Wallis tests assess the statistical significance of the performance differences. Results reveal significant runtime advantages for HPO algorithms over Random Search. In univariate models, Bayesian optimization exhibited the lowest accuracy among the tested methods. This study provides valuable insights for optimizing XGBoost in the STLF context and identifies areas for future research.

This paper studies using foundational large language models (LLMs) to make decisions during hyperparameter optimization (HPO). Empirical evaluations demonstrate that in settings with constrained search budgets, LLMs can perform comparably or better than traditional HPO methods like random search and Bayesian optimization on standard benchmarks. Furthermore, we propose to treat the code specifying our model as a hyperparameter, which the LLM outputs, going beyond the capabilities of existing HPO approaches. Our findings suggest that LLMs are a promising tool for improving efficiency in the traditional decision-making problem of hyperparameter optimization.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

Modern machine learning algorithms crucially rely on several design decisions to achieve strong performance, making the problem of Hyperparameter Optimization (HPO) more important than ever. Here, we combine the advantages of the popular bandit-based HPO method Hyperband (HB) and the evolutionary search approach of Differential Evolution (DE) to yield a new HPO method which we call DEHB. Comprehensive results on a very broad range of HPO problems, as well as a wide range of tabular benchmarks from neural architecture search, demonstrate that DEHB achieves strong performance far more robustly than all previous HPO methods we are aware of, especially for high-dimensional problems with discrete input dimensions. For example, DEHB is up to 1000x faster than random search. It is also efficient in computational time, conceptually simple and easy to implement, positioning it well to become a new default HPO method.

Hyperparameter optimization (HPO) is a core problem for the machine learning community and remains largely unsolved due to the significant computational resources required to evaluate hyperparameter configurations. As a result, a series of recent related works have focused on the direction of transfer learning for quickly fine-tuning hyperparameters on a dataset. Unfortunately, the community does not have a common large-scale benchmark for comparing HPO algorithms. Instead, the de facto practice consists of empirical protocols on arbitrary small-scale meta-datasets that vary inconsistently across publications, making reproducibility a challenge. To resolve this major bottleneck and enable a fair and fast comparison of black-box HPO methods on a level playing field, we propose HPO-B, a new large-scale benchmark in the form of a collection of meta-datasets. Our benchmark is assembled and preprocessed from the OpenML repository and consists of 176 search spaces (algorithms) evaluated sparsely on 196 datasets with a total of 6.4 million hyperparameter evaluations. For ensuring reproducibility on our benchmark, we detail explicit experimental protocols, splits, and evaluation measures for comparing methods for both non-transfer, as well as, transfer learning HPO.

Despite significant progress in challenging problems across various domains, applying state-of-the-art deep reinforcement learning (RL) algorithms remains challenging due to their sensitivity to the choice of hyperparameters. This sensitivity can partly be attributed to the non-stationarity of the RL problem, potentially requiring different hyperparameter settings at various stages of the learning process. Additionally, in the RL setting, hyperparameter optimization (HPO) requires a large number of environment interactions, hindering the transfer of the successes in RL to real-world applications. In this work, we tackle the issues of sample-efficient and dynamic HPO in RL. We propose a population-based automated RL (AutoRL) framework to meta-optimize arbitrary off-policy RL algorithms. In this framework, we optimize the hyperparameters and also the neural architecture while simultaneously training the agent. By sharing the collected experience across the population, we substantially increase the sample efficiency of the meta-optimization. We demonstrate the capabilities of our sample-efficient AutoRL approach in a case study with the popular TD3 algorithm in the MuJoCo benchmark suite, where we reduce the number of environment interactions needed for meta-optimization by up to an order of magnitude compared to population-based training.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

Finding the optimal Retrieval-Augmented Generation (RAG) configuration for a given use case can be complex and expensive. Motivated by this challenge, frameworks for RAG hyper-parameter optimization (HPO) have recently emerged, yet their effectiveness has not been rigorously benchmarked. To address this gap, we present a comprehensive study involving 5 HPO algorithms over 5 datasets from diverse domains, including a new one collected for this work on real-world product documentation. Our study explores the largest HPO search space considered to date, with two optimized evaluation metrics. Analysis of the results shows that RAG HPO can be done efficiently, either greedily or with iterative random search, and that it significantly boosts RAG performance for all datasets. For greedy HPO approaches, we show that optimizing models first is preferable to the prevalent practice of optimizing sequentially according to the RAG pipeline order.

To advance the circular economy (CE), it is crucial to gain insights into the evolution of public attention, cognitive pathways of the masses concerning circular products, and to identify primary concerns. To achieve this, we collected data from diverse platforms, including Twitter, Reddit, and The Guardian, and utilised three topic models to analyse the data. Given the performance of topic modelling may vary depending on hyperparameter settings, this research proposed a novel framework that integrates twin (single and multi-objective) hyperparameter optimisation for the CE. We conducted systematic experiments to ensure that topic models are set with appropriate hyperparameters under different constraints, providing valuable insights into the correlations between CE and public attention. In summary, our optimised model reveals that public remains concerned about the economic impacts of sustainability and circular practices, particularly regarding recyclable materials and environmentally sustainable technologies. The analysis shows that the CE has attracted significant attention on The Guardian, especially in topics related to sustainable development and environmental protection technologies, while discussions are comparatively less active on Twitter. These insights highlight the need for policymakers to implement targeted education programs, create incentives for businesses to adopt CE principles, and enforce more stringent waste management policies alongside improved recycling processes.

Bilevel optimization is an important formulation for many machine learning problems. Current bilevel optimization algorithms assume that the gradient of the upper-level function is Lipschitz. However, recent studies reveal that certain neural networks such as recurrent neural networks (RNNs) and long-short-term memory networks (LSTMs) exhibit potential unbounded smoothness, rendering conventional bilevel optimization algorithms unsuitable. In this paper, we design a new bilevel optimization algorithm, namely BO-REP, to address this challenge. This algorithm updates the upper-level variable using normalized momentum and incorporates two novel techniques for updating the lower-level variable: initialization refinement and periodic updates. Specifically, once the upper-level variable is initialized, a subroutine is invoked to obtain a refined estimate of the corresponding optimal lower-level variable, and the lower-level variable is updated only after every specific period instead of each iteration. When the upper-level problem is nonconvex and unbounded smooth, and the lower-level problem is strongly convex, we prove that our algorithm requires mathcal{O}(1/epsilon^4) iterations to find an epsilon-stationary point in the stochastic setting, where each iteration involves calling a stochastic gradient or Hessian-vector product oracle. Notably, this result matches the state-of-the-art complexity results under the bounded smoothness setting and without mean-squared smoothness of the stochastic gradient, up to logarithmic factors. Our proof relies on novel technical lemmas for the periodically updated lower-level variable, which are of independent interest. Our experiments on hyper-representation learning, hyperparameter optimization, and data hyper-cleaning for text classification tasks demonstrate the effectiveness of our proposed algorithm.

Many problems in machine learning involve bilevel optimization (BLO), including hyperparameter optimization, meta-learning, and dataset distillation. Bilevel problems consist of two nested sub-problems, called the outer and inner problems, respectively. In practice, often at least one of these sub-problems is overparameterized. In this case, there are many ways to choose among optima that achieve equivalent objective values. Inspired by recent studies of the implicit bias induced by optimization algorithms in single-level optimization, we investigate the implicit bias of gradient-based algorithms for bilevel optimization. We delineate two standard BLO methods -- cold-start and warm-start -- and show that the converged solution or long-run behavior depends to a large degree on these and other algorithmic choices, such as the hypergradient approximation. We also show that the inner solutions obtained by warm-start BLO can encode a surprising amount of information about the outer objective, even when the outer parameters are low-dimensional. We believe that implicit bias deserves as central a role in the study of bilevel optimization as it has attained in the study of single-level neural net optimization.

Determining the optimal data mixture for large language model training remains a challenging problem with an outsized impact on performance. In practice, language model developers continue to rely on heuristic exploration since no learning-based approach has emerged as a reliable solution. In this work, we propose to view the selection of training data mixtures as a black-box hyperparameter optimization problem, for which Bayesian Optimization is a well-established class of appropriate algorithms. Firstly, we cast data mixture learning as a sequential decision-making problem, in which we aim to find a suitable trade-off between the computational cost of training exploratory (proxy-) models and final mixture performance. Secondly, we systematically explore the properties of transferring mixtures learned at a small scale to larger-scale experiments, providing insights and highlighting opportunities for research at a modest scale. By proposing Multi-fidelity Bayesian Optimization as a suitable method in this common scenario, we introduce a natural framework to balance experiment cost with model fit, avoiding the risks of overfitting to smaller scales while minimizing the number of experiments at high cost. We present results for pre-training and instruction finetuning across models ranging from 1 million to 7 billion parameters, varying from simple architectures to state-of-the-art models and benchmarks spanning dozens of datasets. We demonstrate consistently strong results relative to a wide range of baselines, resulting inspeed-ups of over 500% in determining the best data mixture on our largest experiments. In addition, we broaden access to research by sharing ADMIRE IFT Runs, a dataset of 460 full training & evaluation runs worth over 13,000 GPU hours, greatly reducing the cost of conducting research in this area.

Pre-training (PT) followed by fine-tuning (FT) is an effective method for training neural networks, and has led to significant performance improvements in many domains. PT can incorporate various design choices such as task and data reweighting strategies, augmentation policies, and noise models, all of which can significantly impact the quality of representations learned. The hyperparameters introduced by these strategies therefore must be tuned appropriately. However, setting the values of these hyperparameters is challenging. Most existing methods either struggle to scale to high dimensions, are too slow and memory-intensive, or cannot be directly applied to the two-stage PT and FT learning process. In this work, we propose an efficient, gradient-based algorithm to meta-learn PT hyperparameters. We formalize the PT hyperparameter optimization problem and propose a novel method to obtain PT hyperparameter gradients by combining implicit differentiation and backpropagation through unrolled optimization. We demonstrate that our method improves predictive performance on two real-world domains. First, we optimize high-dimensional task weighting hyperparameters for multitask pre-training on protein-protein interaction graphs and improve AUROC by up to 3.9%. Second, we optimize a data augmentation neural network for self-supervised PT with SimCLR on electrocardiography data and improve AUROC by up to 1.9%.

While existing work on neural architecture search (NAS) tunes hyperparameters in a separate post-processing step, we demonstrate that architectural choices and other hyperparameter settings interact in a way that can render this separation suboptimal. Likewise, we demonstrate that the common practice of using very few epochs during the main NAS and much larger numbers of epochs during a post-processing step is inefficient due to little correlation in the relative rankings for these two training regimes. To combat both of these problems, we propose to use a recent combination of Bayesian optimization and Hyperband for efficient joint neural architecture and hyperparameter search.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Learned optimizers (LOs) can significantly reduce the wall-clock training time of neural networks, substantially reducing training costs. However, they often suffer from poor meta-generalization, especially when training networks larger than those seen during meta-training. To address this, we use the recently proposed Maximal Update Parametrization (muP), which allows zero-shot generalization of optimizer hyperparameters from smaller to larger models. We extend muP theory to learned optimizers, treating the meta-training problem as finding the learned optimizer under muP. Our evaluation shows that LOs meta-trained with muP substantially improve meta-generalization as compared to LOs trained under standard parametrization (SP). Notably, when applied to large-width models, our best muLO, trained for 103 GPU-hours, matches or exceeds the performance of VeLO, the largest publicly available learned optimizer, meta-trained with 4000 TPU-months of compute. Moreover, muLOs demonstrate better generalization than their SP counterparts to deeper networks and to much longer training horizons (25 times longer) than those seen during meta-training.

While deep learning models have replaced hand-designed features across many domains, these models are still trained with hand-designed optimizers. In this work, we leverage the same scaling approach behind the success of deep learning to learn versatile optimizers. We train an optimizer for deep learning which is itself a small neural network that ingests gradients and outputs parameter updates. Meta-trained with approximately four thousand TPU-months of compute on a wide variety of optimization tasks, our optimizer not only exhibits compelling performance, but optimizes in interesting and unexpected ways. It requires no hyperparameter tuning, instead automatically adapting to the specifics of the problem being optimized. We open source our learned optimizer, meta-training code, the associated train and test data, and an extensive optimizer benchmark suite with baselines at velo-code.github.io.

Bilevel optimization has been recently revisited for designing and analyzing algorithms in hyperparameter tuning and meta learning tasks. However, due to its nested structure, evaluating exact gradients for high-dimensional problems is computationally challenging. One heuristic to circumvent this difficulty is to use the approximate gradient given by performing truncated back-propagation through the iterative optimization procedure that solves the lower-level problem. Although promising empirical performance has been reported, its theoretical properties are still unclear. In this paper, we analyze the properties of this family of approximate gradients and establish sufficient conditions for convergence. We validate this on several hyperparameter tuning and meta learning tasks. We find that optimization with the approximate gradient computed using few-step back-propagation often performs comparably to optimization with the exact gradient, while requiring far less memory and half the computation time.

Although deep learning has produced dazzling successes for applications of image, speech, and video processing in the past few years, most trainings are with suboptimal hyper-parameters, requiring unnecessarily long training times. Setting the hyper-parameters remains a black art that requires years of experience to acquire. This report proposes several efficient ways to set the hyper-parameters that significantly reduce training time and improves performance. Specifically, this report shows how to examine the training validation/test loss function for subtle clues of underfitting and overfitting and suggests guidelines for moving toward the optimal balance point. Then it discusses how to increase/decrease the learning rate/momentum to speed up training. Our experiments show that it is crucial to balance every manner of regularization for each dataset and architecture. Weight decay is used as a sample regularizer to show how its optimal value is tightly coupled with the learning rates and momentums. Files to help replicate the results reported here are available.

Hyperparameter tuning is one of the essential steps to guarantee the convergence of machine learning models. We argue that intuition about the optimal choice of hyperparameters for stochastic gradient descent can be obtained by studying a neural network's phase diagram, in which each phase is characterised by distinctive dynamics of the singular values of weight matrices. Taking inspiration from disordered systems, we start from the observation that the loss landscape of a multilayer neural network with mean squared error can be interpreted as a disordered system in feature space, where the learnt features are mapped to soft spin degrees of freedom, the initial variance of the weight matrices is interpreted as the strength of the disorder, and temperature is given by the ratio of the learning rate and the batch size. As the model is trained, three phases can be identified, in which the dynamics of weight matrices is qualitatively different. Employing a Langevin equation for stochastic gradient descent, previously derived using Dyson Brownian motion, we demonstrate that the three dynamical regimes can be classified effectively, providing practical guidance for the choice of hyperparameters of the optimiser.

Synthesizing optimal controllers for dynamical systems often involves solving optimization problems with hard real-time constraints. These constraints determine the class of numerical methods that can be applied: computationally expensive but accurate numerical routines are replaced by fast and inaccurate methods, trading inference time for solution accuracy. This paper provides techniques to improve the quality of optimized control policies given a fixed computational budget. We achieve the above via a hypersolvers approach, which hybridizes a differential equation solver and a neural network. The performance is evaluated in direct and receding-horizon optimal control tasks in both low and high dimensions, where the proposed approach shows consistent Pareto improvements in solution accuracy and control performance.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

In this paper, we compare the three most popular algorithms for hyperparameter optimization (Grid Search, Random Search, and Genetic Algorithm) and attempt to use them for neural architecture search (NAS). We use these algorithms for building a convolutional neural network (search architecture). Experimental results on CIFAR-10 dataset further demonstrate the performance difference between compared algorithms. The comparison results are based on the execution time of the above algorithms and accuracy of the proposed models.

Recent advancements in Large Language Models have transformed ML/AI development, necessitating a reevaluation of AutoML principles for the Retrieval-Augmented Generation (RAG) systems. To address the challenges of hyper-parameter optimization and online adaptation in RAG, we propose the AutoRAG-HP framework, which formulates the hyper-parameter tuning as an online multi-armed bandit (MAB) problem and introduces a novel two-level Hierarchical MAB (Hier-MAB) method for efficient exploration of large search spaces. We conduct extensive experiments on tuning hyper-parameters, such as top-k retrieved documents, prompt compression ratio, and embedding methods, using the ALCE-ASQA and Natural Questions datasets. Our evaluation from jointly optimization all three hyper-parameters demonstrate that MAB-based online learning methods can achieve Recall@5 approx 0.8 for scenarios with prominent gradients in search space, using only sim20% of the LLM API calls required by the Grid Search approach. Additionally, the proposed Hier-MAB approach outperforms other baselines in more challenging optimization scenarios. The code will be made available at https://aka.ms/autorag.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

Integrating Large Language Models (LLMs) with Knowledge Graphs (KGs) results in complex systems with numerous hyperparameters that directly affect performance. While such systems are increasingly common in retrieval-augmented generation, the role of systematic hyperparameter optimization remains underexplored. In this paper, we study this problem in the context of Cognee, a modular framework for end-to-end KG construction and retrieval. Using three multi-hop QA benchmarks (HotPotQA, TwoWikiMultiHop, and MuSiQue) we optimize parameters related to chunking, graph construction, retrieval, and prompting. Each configuration is scored using established metrics (exact match, F1, and DeepEval's LLM-based correctness metric). Our results demonstrate that meaningful gains can be achieved through targeted tuning. While the gains are consistent, they are not uniform, with performance varying across datasets and metrics. This variability highlights both the value of tuning and the limitations of standard evaluation measures. While demonstrating the immediate potential of hyperparameter tuning, we argue that future progress will depend not only on architectural advances but also on clearer frameworks for optimization and evaluation in complex, modular systems.

Automated machine learning (AutoML) is a collection of techniques designed to automate the machine learning development process. While traditional AutoML approaches have been successfully applied in several critical steps of model development (e.g. hyperparameter optimization), there lacks a AutoML system that automates the entire end-to-end model production workflow. To fill this blank, we present AutoMMLab, a general-purpose LLM-empowered AutoML system that follows user's language instructions to automate the whole model production workflow for computer vision tasks. The proposed AutoMMLab system effectively employs LLMs as the bridge to connect AutoML and OpenMMLab community, empowering non-expert individuals to easily build task-specific models via a user-friendly language interface. Specifically, we propose RU-LLaMA to understand users' request and schedule the whole pipeline, and propose a novel LLM-based hyperparameter optimizer called HPO-LLaMA to effectively search for the optimal hyperparameters. Experiments show that our AutoMMLab system is versatile and covers a wide range of mainstream tasks, including classification, detection, segmentation and keypoint estimation. We further develop a new benchmark, called LAMP, for studying key components in the end-to-end prompt-based model training pipeline. Code, model, and data will be released.

Bayesian optimization (BO) has contributed greatly to improving model performance by suggesting promising hyperparameter configurations iteratively based on observations from multiple training trials. However, only partial knowledge (i.e., the measured performances of trained models and their hyperparameter configurations) from previous trials is transferred. On the other hand, Self-Distillation (SD) only transfers partial knowledge learned by the task model itself. To fully leverage the various knowledge gained from all training trials, we propose the BOSS framework, which combines BO and SD. BOSS suggests promising hyperparameter configurations through BO and carefully selects pre-trained models from previous trials for SD, which are otherwise abandoned in the conventional BO process. BOSS achieves significantly better performance than both BO and SD in a wide range of tasks including general image classification, learning with noisy labels, semi-supervised learning, and medical image analysis tasks.

In this study, we apply two pillars of Scientific Machine Learning: Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs) to the Chandrasekhar White Dwarf Equation (CWDE). The CWDE is fundamental for understanding the life cycle of a star, and describes the relationship between the density of the white dwarf and its distance from the center. Despite the rise in Scientific Machine Learning frameworks, very less attention has been paid to the systematic applications of the above SciML pillars on astronomy based ODEs. Through robust modeling in the Julia programming language, we show that both Neural ODEs and UDEs can be used effectively for both prediction as well as forecasting of the CWDE. More importantly, we introduce the forecasting breakdown point - the time at which forecasting fails for both Neural ODEs and UDEs. Through a robust hyperparameter optimization testing, we provide insights on the neural network architecture, activation functions and optimizers which provide the best results. This study provides opens a door to investigate the applicability of Scientific Machine Learning frameworks in forecasting tasks for a wide range of scientific domains.

In this paper, we present a novel approach to accelerate the Bayesian inference process, focusing specifically on the nested sampling algorithms. Bayesian inference plays a crucial role in cosmological parameter estimation, providing a robust framework for extracting theoretical insights from observational data. However, its computational demands can be substantial, primarily due to the need for numerous likelihood function evaluations. Our proposed method utilizes the power of deep learning, employing feedforward neural networks to approximate the likelihood function dynamically during the Bayesian inference process. Unlike traditional approaches, our method trains neural networks on-the-fly using the current set of live points as training data, without the need for pre-training. This flexibility enables adaptation to various theoretical models and datasets. We perform simple hyperparameter optimization using genetic algorithms to suggest initial neural network architectures for learning each likelihood function. Once sufficient accuracy is achieved, the neural network replaces the original likelihood function. The implementation integrates with nested sampling algorithms and has been thoroughly evaluated using both simple cosmological dark energy models and diverse observational datasets. Additionally, we explore the potential of genetic algorithms for generating initial live points within nested sampling inference, opening up new avenues for enhancing the efficiency and effectiveness of Bayesian inference methods.

This work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

Efficient LLM pre-training requires well-tuned hyperparameters (HPs), including learning rate {\eta} and weight decay {\lambda}. We study scaling laws for HPs: formulas for how to scale HPs as we scale model size N, dataset size D, and batch size B. Recent work suggests the AdamW timescale, B/({\eta}{\lambda}D), should remain constant across training settings, and we verify the implication that optimal {\lambda} scales linearly with B, for a fixed N,D. However, as N,D scale, we show the optimal timescale obeys a precise power law in the tokens-per-parameter ratio, D/N. This law thus provides a method to accurately predict {\lambda}opt in advance of large-scale training. We also study scaling laws for optimal batch size Bopt (the B enabling lowest loss at a given N,D) and critical batch size Bcrit (the B beyond which further data parallelism becomes ineffective). In contrast with prior work, we find both Bopt and Bcrit scale as power laws in D, independent of model size, N. Finally, we analyze how these findings inform the real-world selection of Pareto-optimal N and D under dual training time and compute objectives.

This paper describes a machine learning method to automate reading of cockpit gauges, using a CNN to invert affine transformations and deduce aircraft states from instrument images. Validated with synthetic images of a turn-and-bank indicator, this research introduces methods such as generating datasets from a single image, the 'Clean Training Principle' for optimal noise-free training, and CNN interpolation for continuous value predictions from categorical data. It also offers insights into hyperparameter optimization and ML system software engineering.

In recent years, neural models trained on large multilingual text and speech datasets have shown great potential for supporting low-resource languages. This study investigates the performances of two state-of-the-art Automatic Speech Recognition (ASR) models, OpenAI's Whisper (Small & Large-V2) and Facebook's Wav2Vec-BERT on Bangla, a low-resource language. We have conducted experiments using two publicly available datasets: Mozilla Common Voice-17 and OpenSLR to evaluate model performances. Through systematic fine-tuning and hyperparameter optimization, including learning rate, epochs, and model checkpoint selection, we have compared the models based on Word Error Rate (WER), Character Error Rate (CER), Training Time, and Computational Efficiency. The Wav2Vec-BERT model outperformed Whisper across all key evaluation metrics, demonstrated superior performance while requiring fewer computational resources, and offered valuable insights to develop robust speech recognition systems in low-resource linguistic settings.

Many NLP researchers rely on free computational services, such as Google Colab, to fine-tune their Transformer models, causing a limitation for hyperparameter optimization (HPO) in long-text classification due to the method having quadratic complexity and needing a bigger resource. In Indonesian, only a few works were found on long-text classification using Transformers. Most only use a small amount of data and do not report any HPO. In this study, using 18k news articles, we investigate which pretrained models are recommended to use based on the output length of the tokenizer. We then compare some hacks to shorten and enrich the sequences, which are the removals of stopwords, punctuation, low-frequency words, and recurring words. To get a fair comparison, we propose and run an efficient and dynamic HPO procedure that can be done gradually on a limited resource and does not require a long-running optimization library. Using the best hack found, we then compare 512, 256, and 128 tokens length. We find that removing stopwords while keeping punctuation and low-frequency words is the best hack. Some of our setups manage to outperform taking 512 first tokens using a smaller 128 or 256 first tokens which manage to represent the same information while requiring less computational resources. The findings could help developers to efficiently pursue optimal performance of the models using limited resources.

Population Based Training (PBT) is an efficient hyperparameter optimization algorithm. PBT is a single-objective algorithm, but many real-world hyperparameter optimization problems involve two or more conflicting objectives. In this work, we therefore introduce a multi-objective version of PBT, MO-PBT. Our experiments on diverse multi-objective hyperparameter optimization problems (Precision/Recall, Accuracy/Fairness, Accuracy/Adversarial Robustness) show that MO-PBT outperforms random search, single-objective PBT, and the state-of-the-art multi-objective hyperparameter optimization algorithm MO-ASHA.

The leading approaches in language modeling are all obsessed with TV shows of my youth - namely Transformers and Sesame Street. Transformers this, Transformers that, and over here a bonfire worth of GPU-TPU-neuromorphic wafer scale silicon. We opt for the lazy path of old and proven techniques with a fancy crypto inspired acronym: the Single Headed Attention RNN (SHA-RNN). The author's lone goal is to show that the entire field might have evolved a different direction if we had instead been obsessed with a slightly different acronym and slightly different result. We take a previously strong language model based only on boring LSTMs and get it to within a stone's throw of a stone's throw of state-of-the-art byte level language model results on enwik8. This work has undergone no intensive hyperparameter optimization and lived entirely on a commodity desktop machine that made the author's small studio apartment far too warm in the midst of a San Franciscan summer. The final results are achievable in plus or minus 24 hours on a single GPU as the author is impatient. The attention mechanism is also readily extended to large contexts with minimal computation. Take that Sesame Street.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

We investigate the effectiveness of ensembles of pretrained transformer-based language models on short answer questions using the Kaggle Automated Short Answer Scoring dataset. We fine-tune a collection of popular small, base, and large pretrained transformer-based language models, and train one feature-base model on the dataset with the aim of testing ensembles of these models. We used an early stopping mechanism and hyperparameter optimization in training. We observe that generally that the larger models perform slightly better, however, they still fall short of state-of-the-art results one their own. Once we consider ensembles of models, there are ensembles of a number of large networks that do produce state-of-the-art results, however, these ensembles are too large to realistically be put in a production environment.

Inference-time techniques are emerging as highly effective tools to enhance large language model (LLM) capabilities. However, best practices for developing systems that combine these techniques remain underdeveloped due to our limited understanding of the utility of individual inference-time techniques and the interactions between them. Additionally, efficiently and automatically searching the space of model choices, inference-time techniques, and their compositions is challenging due to the large design space. To address these challenges, we introduce Archon, a modular framework for selecting, combining, and stacking layers of inference-time techniques to construct optimized LLM systems for target benchmarks. Rather than relying on a single LLM called once, we leverage a diverse set of LLMs and inference-time techniques, creating LLM systems greater than the sum of their parts. Archon defines an extensible design space, encompassing techniques such as generation ensembling, repeated sampling, ranking, fusion, critiquing, verification, and unit testing. It transforms the problem of building LLM systems into a hyperparameter optimization objective. Given the available LLMs, inference-time techniques, and compute budget, Archon utilizes hyperparameter search techniques to discover optimized architectures for target benchmark(s). We evaluate Archon architectures across a range of instruction-following, reasoning, and coding benchmarks, including MT-Bench, Arena-Hard-Auto, AlpacaEval 2.0, MixEval, MixEval Hard, MATH, and CodeContests. Archon architectures outperform frontier models, such as GPT-4o and Claude 3.5 Sonnet, on these benchmarks, achieving an average accuracy increase of 15.1 percentage points by using all available LLMs. We make our code and datasets available publicly on Github: https://github.com/ScalingIntelligence/Archon.

Nesterov's accelerated gradient (AG) is a popular technique to optimize objective functions comprising two components: a convex loss and a penalty function. While AG methods perform well for convex penalties, such as the LASSO, convergence issues may arise when it is applied to nonconvex penalties, such as SCAD. A recent proposal generalizes Nesterov's AG method to the nonconvex setting. The proposed algorithm requires specification of several hyperparameters for its practical application. Aside from some general conditions, there is no explicit rule for selecting the hyperparameters, and how different selection can affect convergence of the algorithm. In this article, we propose a hyperparameter setting based on the complexity upper bound to accelerate convergence, and consider the application of this nonconvex AG algorithm to high-dimensional linear and logistic sparse learning problems. We further establish the rate of convergence and present a simple and useful bound to characterize our proposed optimal damping sequence. Simulation studies show that convergence can be made, on average, considerably faster than that of the conventional proximal gradient algorithm. Our experiments also show that the proposed method generally outperforms the current state-of-the-art methods in terms of signal recovery.

Many continuous control tasks have easily formulated objectives, yet using them directly as a reward in reinforcement learning (RL) leads to suboptimal policies. Therefore, many classical control tasks guide RL training using complex rewards, which require tedious hand-tuning. We automate the reward search with AutoRL, an evolutionary layer over standard RL that treats reward tuning as hyperparameter optimization and trains a population of RL agents to find a reward that maximizes the task objective. AutoRL, evaluated on four Mujoco continuous control tasks over two RL algorithms, shows improvements over baselines, with the the biggest uplift for more complex tasks. The video can be found at: https://youtu.be/svdaOFfQyC8.

TerraTorch is a fine-tuning and benchmarking toolkit for Geospatial Foundation Models built on PyTorch Lightning and tailored for satellite, weather, and climate data. It integrates domain-specific data modules, pre-defined tasks, and a modular model factory that pairs any backbone with diverse decoder heads. These components allow researchers and practitioners to fine-tune supported models in a no-code fashion by simply editing a training configuration. By consolidating best practices for model development and incorporating the automated hyperparameter optimization extension Iterate, TerraTorch reduces the expertise and time required to fine-tune or benchmark models on new Earth Observation use cases. Furthermore, TerraTorch directly integrates with GEO-Bench, allowing for systematic and reproducible benchmarking of Geospatial Foundation Models. TerraTorch is open sourced under Apache 2.0, available at https://github.com/IBM/terratorch, and can be installed via pip install terratorch.

Neural architecture search (NAS) has achieved remarkable results in deep neural network design. Differentiable architecture search converts the search over discrete architectures into a hyperparameter optimization problem which can be solved by gradient descent. However, questions have been raised regarding the effectiveness and generalizability of gradient methods for solving non-convex architecture hyperparameter optimization problems. In this paper, we propose L^{2}NAS, which learns to intelligently optimize and update architecture hyperparameters via an actor neural network based on the distribution of high-performing architectures in the search history. We introduce a quantile-driven training procedure which efficiently trains L^{2}NAS in an actor-critic framework via continuous-action reinforcement learning. Experiments show that L^{2}NAS achieves state-of-the-art results on NAS-Bench-201 benchmark as well as DARTS search space and Once-for-All MobileNetV3 search space. We also show that search policies generated by L^{2}NAS are generalizable and transferable across different training datasets with minimal fine-tuning.

Generative adversarial networks (GAN) are a powerful subclass of generative models. Despite a very rich research activity leading to numerous interesting GAN algorithms, it is still very hard to assess which algorithm(s) perform better than others. We conduct a neutral, multi-faceted large-scale empirical study on state-of-the art models and evaluation measures. We find that most models can reach similar scores with enough hyperparameter optimization and random restarts. This suggests that improvements can arise from a higher computational budget and tuning more than fundamental algorithmic changes. To overcome some limitations of the current metrics, we also propose several data sets on which precision and recall can be computed. Our experimental results suggest that future GAN research should be based on more systematic and objective evaluation procedures. Finally, we did not find evidence that any of the tested algorithms consistently outperforms the non-saturating GAN introduced in goodfellow2014generative.

Neural networks are fundamental in artificial intelligence, driving progress in computer vision and natural language processing. High-quality datasets are crucial for their development, and there is growing interest in datasets composed of neural networks themselves to support benchmarking, automated machine learning (AutoML), and model analysis. We introduce LEMUR, an open source dataset of neural network models with well-structured code for diverse architectures across tasks such as object detection, image classification, segmentation, and natural language processing. LEMUR is primarily designed to provide a rich source of structured model representations and associated performance data, enabling the fine-tuning of large language models for AutoML applications. Leveraging Python and PyTorch, LEMUR enables seamless extension to new datasets and models while maintaining consistency. It integrates an Optuna-powered framework for evaluation, hyperparameter optimization, statistical analysis, and graphical insights. LEMUR VR extension enables the seamless deployment of models in virtual reality, optimizing their performance on resource-constrained devices. Providing tools for model evaluation, preprocessing, and database management, LEMUR supports researchers and practitioners in developing, testing, and analyzing neural networks. It offers an API that delivers comprehensive information about neural network models and their complete performance statistics with a single request, which can be used in experiments with code-generating large language models. The LEMUR and its plugins are accessible as open source projects under the MIT license at https://github.com/ABrain-One/nn-dataset, https://github.com/ABrain-One/nn-plots and https://github.com/ABrain-One/nn-vr.

Federated Learning (FL) offers a promising approach for collaborative machine learning across distributed devices. However, its adoption is hindered by the complexity of building reliable communication architectures and the need for expertise in both machine learning and network programming. This paper presents a comprehensive solution that simplifies the orchestration of FL tasks while integrating intent-based automation. We develop a user-friendly web application supporting the federated averaging (FedAvg) algorithm, enabling users to configure parameters through an intuitive interface. The backend solution efficiently manages communication between the parameter server and edge nodes. We also implement model compression and scheduling algorithms to optimize FL performance. Furthermore, we explore intent-based automation in FL using a fine-tuned Language Model (LLM) trained on a tailored dataset, allowing users to conduct FL tasks using high-level prompts. We observe that the LLM-based automated solution achieves comparable test accuracy to the standard web-based solution while reducing transferred bytes by up to 64% and CPU time by up to 46% for FL tasks. Also, we leverage the neural architecture search (NAS) and hyperparameter optimization (HPO) using LLM to improve the performance. We observe that by using this approach test accuracy can be improved by 10-20% for the carried out FL tasks.

With the emerging trend of GPT models, we have established a framework called AutoML-GPT that integrates a comprehensive set of tools and libraries. This framework grants users access to a wide range of data preprocessing techniques, feature engineering methods, and model selection algorithms. Through a conversational interface, users can specify their requirements, constraints, and evaluation metrics. Throughout the process, AutoML-GPT employs advanced techniques for hyperparameter optimization and model selection, ensuring that the resulting model achieves optimal performance. The system effectively manages the complexity of the machine learning pipeline, guiding users towards the best choices without requiring deep domain knowledge. Through our experimental results on diverse datasets, we have demonstrated that AutoML-GPT significantly reduces the time and effort required for machine learning tasks. Its ability to leverage the vast knowledge encoded in large language models enables it to provide valuable insights, identify potential pitfalls, and suggest effective solutions to common challenges faced during model training.

In this paper, we introduce a novel theoretical framework for multi-task regression, applying random matrix theory to provide precise performance estimations, under high-dimensional, non-Gaussian data distributions. We formulate a multi-task optimization problem as a regularization technique to enable single-task models to leverage multi-task learning information. We derive a closed-form solution for multi-task optimization in the context of linear models. Our analysis provides valuable insights by linking the multi-task learning performance to various model statistics such as raw data covariances, signal-generating hyperplanes, noise levels, as well as the size and number of datasets. We finally propose a consistent estimation of training and testing errors, thereby offering a robust foundation for hyperparameter optimization in multi-task regression scenarios. Experimental validations on both synthetic and real-world datasets in regression and multivariate time series forecasting demonstrate improvements on univariate models, incorporating our method into the training loss and thus leveraging multivariate information.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1310 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at marginal cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency.

We propose an evolution strategies-based algorithm for estimating gradients in unrolled computation graphs, called ES-Single. Similarly to the recently-proposed Persistent Evolution Strategies (PES), ES-Single is unbiased, and overcomes chaos arising from recursive function applications by smoothing the meta-loss landscape. ES-Single samples a single perturbation per particle, that is kept fixed over the course of an inner problem (e.g., perturbations are not re-sampled for each partial unroll). Compared to PES, ES-Single is simpler to implement and has lower variance: the variance of ES-Single is constant with respect to the number of truncated unrolls, removing a key barrier in applying ES to long inner problems using short truncations. We show that ES-Single is unbiased for quadratic inner problems, and demonstrate empirically that its variance can be substantially lower than that of PES. ES-Single consistently outperforms PES on a variety of tasks, including a synthetic benchmark task, hyperparameter optimization, training recurrent neural networks, and training learned optimizers.

Our goal is to assess if AutoML system changes - i.e., to the search space or hyperparameter optimization - will improve the final model's performance on production tasks. However, we cannot test the changes on production tasks. Instead, we only have access to limited descriptors about tasks that our AutoML system previously executed, like the number of data points or features. We also have a set of development tasks to test changes, ex., sampled from OpenML with no usage constraints. However, the development and production task distributions are different leading us to pursue changes that only improve development and not production. This paper proposes a method to leverage descriptor information about AutoML production tasks to select a filtered subset of the most relevant development tasks. Empirical studies show that our filtering strategy improves the ability to assess AutoML system changes on holdout tasks with different distributions than development.

Limited computational budgets often prevent transformers from being used in production and from having their high accuracy utilized. TinyBERT addresses the computational efficiency by self-distilling BERT into a smaller transformer representation having fewer layers and smaller internal embedding. However, TinyBERT's performance drops when we reduce the number of layers by 50%, and drops even more abruptly when we reduce the number of layers by 75% for advanced NLP tasks such as span question answering. Additionally, a separate model must be trained for each inference scenario with its distinct computational budget. In this work we present Dynamic-TinyBERT, a TinyBERT model that utilizes sequence-length reduction and Hyperparameter Optimization for enhanced inference efficiency per any computational budget. Dynamic-TinyBERT is trained only once, performing on-par with BERT and achieving an accuracy-speedup trade-off superior to any other efficient approaches (up to 3.3x with <1% loss-drop). Upon publication, the code to reproduce our work will be open-sourced.

Hyperparameter (HP) tuning in deep learning is an expensive process, prohibitively so for neural networks (NNs) with billions of parameters. We show that, in the recently discovered Maximal Update Parametrization (muP), many optimal HPs remain stable even as model size changes. This leads to a new HP tuning paradigm we call muTransfer: parametrize the target model in muP, tune the HP indirectly on a smaller model, and zero-shot transfer them to the full-sized model, i.e., without directly tuning the latter at all. We verify muTransfer on Transformer and ResNet. For example, 1) by transferring pretraining HPs from a model of 13M parameters, we outperform published numbers of BERT-large (350M parameters), with a total tuning cost equivalent to pretraining BERT-large once; 2) by transferring from 40M parameters, we outperform published numbers of the 6.7B GPT-3 model, with tuning cost only 7% of total pretraining cost. A Pytorch implementation of our technique can be found at github.com/microsoft/mup and installable via `pip install mup`.

Basic human values represent a set of values such as security, independence, success, kindness, and pleasure, which we deem important to our lives. Each of us holds different values with different degrees of significance. Existing studies show that values of a person can be identified from their social network usage. However, the value priority of a person may change over time due to different factors such as life experiences, influence, social structure and technology. Existing studies do not conduct any analysis regarding the change of users' value from the social influence, i.e., group persuasion, form the social media usage. In our research, first, we predict users' value score by the influence of friends from their social media usage. We propose a Bounded Confidence Model (BCM) based value dynamics model from 275 different ego networks in Facebook that predicts how social influence may persuade a person to change their value over time. Then, to predict better, we use particle swarm optimization based hyperparameter tuning technique. We observe that these optimized hyperparameters produce accurate future value score. We also run our approach with different machine learning based methods and find support vector regression (SVR) outperforms other regressor models. By using SVR with the best hyperparameters of BCM model, we find the lowest Mean Squared Error (MSE) score 0.00347.

AdamW has long been the dominant optimizer in language model pretraining, despite numerous claims that alternative optimizers offer 1.4 to 2x speedup. We posit that two methodological shortcomings have obscured fair comparisons and hindered practical adoption: (i) unequal hyperparameter tuning and (ii) limited or misleading evaluation setups. To address these two issues, we conduct a systematic study of ten deep learning optimizers across four model scales (0.1B-1.2B parameters) and data-to-model ratios (1-8x the Chinchilla optimum). We find that fair and informative comparisons require rigorous hyperparameter tuning and evaluations across a range of model scales and data-to-model ratios, performed at the end of training. First, optimal hyperparameters for one optimizer may be suboptimal for another, making blind hyperparameter transfer unfair. Second, the actual speedup of many proposed optimizers over well-tuned baselines is lower than claimed and decreases with model size to only 1.1x for 1.2B parameter models. Thirdly, comparing intermediate checkpoints before reaching the target training budgets can be misleading, as rankings between two optimizers can flip during training due to learning rate decay. Through our thorough investigation, we find that all the fastest optimizers such as Muon and Soap, use matrices as preconditioners -- multiplying gradients with matrices rather than entry-wise scalars. However, the speedup of matrix-based optimizers is inversely proportional to model scale, decreasing from 1.4x over AdamW for 0.1B parameter models to merely 1.1x for 1.2B parameter models.

Instruction-tuned language models (LM) are able to respond to imperative commands, providing a more natural user interface compared to their base counterparts. In this work, we present Promptriever, the first retrieval model able to be prompted like an LM. To train Promptriever, we curate and release a new instance-level instruction training set from MS MARCO, spanning nearly 500k instances. Promptriever not only achieves strong performance on standard retrieval tasks, but also follows instructions. We observe: (1) large gains (reaching SoTA) on following detailed relevance instructions (+14.3 p-MRR / +3.1 nDCG on FollowIR), (2) significantly increased robustness to lexical choices/phrasing in the query+instruction (+12.9 Robustness@10 on InstructIR), and (3) the ability to perform hyperparameter search via prompting to reliably improve retrieval performance (+1.4 average increase on BEIR). Promptriever demonstrates that retrieval models can be controlled with prompts on a per-query basis, setting the stage for future work aligning LM prompting techniques with information retrieval.

The development of modern Artificial Intelligence (AI) models, particularly diffusion-based models employed in computer vision and image generation tasks, is undergoing a paradigmatic shift in development methodologies. Traditionally dominated by a "Model Centric" approach, in which performance gains were primarily pursued through increasingly complex model architectures and hyperparameter optimization, the field is now recognizing a more nuanced "Data-Centric" approach. This emergent framework foregrounds the quality, structure, and relevance of training data as the principal driver of model performance. To operationalize this paradigm shift, we introduce the DataSeeds.AI sample dataset (the "DSD"), initially comprised of approximately 10,610 high-quality human peer-ranked photography images accompanied by extensive multi-tier annotations. The DSD is a foundational computer vision dataset designed to usher in a new standard for commercial image datasets. Representing a small fraction of DataSeed.AI's 100 million-plus image catalog, the DSD provides a scalable foundation necessary for robust commercial and multimodal AI development. Through this in-depth exploratory analysis, we document the quantitative improvements generated by the DSD on specific models against known benchmarks and make the code and the trained models used in our evaluation publicly available.

Causal analysis plays a foundational role in scientific discovery and reliable decision-making, yet it remains largely inaccessible to domain experts due to its conceptual and algorithmic complexity. This disconnect between causal methodology and practical usability presents a dual challenge: domain experts are unable to leverage recent advances in causal learning, while causal researchers lack broad, real-world deployment to test and refine their methods. To address this, we introduce Causal-Copilot, an autonomous agent that operationalizes expert-level causal analysis within a large language model framework. Causal-Copilot automates the full pipeline of causal analysis for both tabular and time-series data -- including causal discovery, causal inference, algorithm selection, hyperparameter optimization, result interpretation, and generation of actionable insights. It supports interactive refinement through natural language, lowering the barrier for non-specialists while preserving methodological rigor. By integrating over 20 state-of-the-art causal analysis techniques, our system fosters a virtuous cycle -- expanding access to advanced causal methods for domain experts while generating rich, real-world applications that inform and advance causal theory. Empirical evaluations demonstrate that Causal-Copilot achieves superior performance compared to existing baselines, offering a reliable, scalable, and extensible solution that bridges the gap between theoretical sophistication and real-world applicability in causal analysis. A live interactive demo of Causal-Copilot is available at https://causalcopilot.com/.

Sparse Neural Networks (SNNs) can potentially demonstrate similar performance to their dense counterparts while saving significant energy and memory at inference. However, the accuracy drop incurred by SNNs, especially at high pruning ratios, can be an issue in critical deployment conditions. While recent works mitigate this issue through sophisticated pruning techniques, we shift our focus to an overlooked factor: hyperparameters and activation functions. Our analyses have shown that the accuracy drop can additionally be attributed to (i) Using ReLU as the default choice for activation functions unanimously, and (ii) Fine-tuning SNNs with the same hyperparameters as dense counterparts. Thus, we focus on learning a novel way to tune activation functions for sparse networks and combining these with a separate hyperparameter optimization (HPO) regime for sparse networks. By conducting experiments on popular DNN models (LeNet-5, VGG-16, ResNet-18, and EfficientNet-B0) trained on MNIST, CIFAR-10, and ImageNet-16 datasets, we show that the novel combination of these two approaches, dubbed Sparse Activation Function Search, short: SAFS, results in up to 15.53%, 8.88%, and 6.33% absolute improvement in the accuracy for LeNet-5, VGG-16, and ResNet-18 over the default training protocols, especially at high pruning ratios. Our code can be found at https://github.com/automl/SAFS

Training reinforcement learning agents at solving a given task is highly dependent on identifying optimal sets of hyperparameters and selecting suitable environment input / output configurations. This tedious process could be eased with a straightforward toolbox allowing its user to quickly compare different training parameter sets. We present rl_reach, a self-contained, open-source and easy-to-use software package designed to run reproducible reinforcement learning experiments for customisable robotic reaching tasks. rl_reach packs together training environments, agents, hyperparameter optimisation tools and policy evaluation scripts, allowing its users to quickly investigate and identify optimal training configurations. rl_reach is publicly available at this URL: https://github.com/PierreExeter/rl_reach.

Structured pruning and quantization are fundamental techniques used to reduce the size of deep neural networks (DNNs) and typically are applied independently. Applying these techniques jointly via co-optimization has the potential to produce smaller, high-quality models. However, existing joint schemes are not widely used because of (1) engineering difficulties (complicated multi-stage processes), (2) black-box optimization (extensive hyperparameter tuning to control the overall compression), and (3) insufficient architecture generalization. To address these limitations, we present the framework GETA, which automatically and efficiently performs joint structured pruning and quantization-aware training on any DNNs. GETA introduces three key innovations: (i) a quantization-aware dependency graph (QADG) that constructs a pruning search space for generic quantization-aware DNN, (ii) a partially projected stochastic gradient method that guarantees layerwise bit constraints are satisfied, and (iii) a new joint learning strategy that incorporates interpretable relationships between pruning and quantization. We present numerical experiments on both convolutional neural networks and transformer architectures that show that our approach achieves competitive (often superior) performance compared to existing joint pruning and quantization methods.

The theoretical landscape of federated learning (FL) undergoes rapid evolution, but its practical application encounters a series of intricate challenges, and hyperparameter optimization is one of these critical challenges. Amongst the diverse adjustments in hyperparameters, the adaptation of the learning rate emerges as a crucial component, holding the promise of significantly enhancing the efficacy of FL systems. In response to this critical need, this paper presents FedHyper, a novel hypergradient-based learning rate adaptation algorithm specifically designed for FL. FedHyper serves as a universal learning rate scheduler that can adapt both global and local rates as the training progresses. In addition, FedHyper not only showcases unparalleled robustness to a spectrum of initial learning rate configurations but also significantly alleviates the necessity for laborious empirical learning rate adjustments. We provide a comprehensive theoretical analysis of FedHyper's convergence rate and conduct extensive experiments on vision and language benchmark datasets. The results demonstrate that FEDHYPER consistently converges 1.1-3x faster than FedAvg and the competing baselines while achieving superior final accuracy. Moreover, FedHyper catalyzes a remarkable surge in accuracy, augmenting it by up to 15% compared to FedAvg under suboptimal initial learning rate settings.

Unsupervised domain adaptation (UDA) involves adapting a model trained on a label-rich source domain to an unlabeled target domain. However, in real-world scenarios, the absence of target-domain labels makes it challenging to evaluate the performance of deep models after UDA. Additionally, prevailing UDA methods typically rely on adversarial training and self-training, which could lead to model degeneration and negative transfer, further exacerbating the evaluation problem. In this paper, we propose a novel metric called the Transfer Score to address these issues. The transfer score enables the unsupervised evaluation of domain adaptation models by assessing the spatial uniformity of the classifier via model parameters, as well as the transferability and discriminability of the feature space. Based on unsupervised evaluation using our metric, we achieve three goals: (1) selecting the most suitable UDA method from a range of available options, (2) optimizing hyperparameters of UDA models to prevent model degeneration, and (3) identifying the epoch at which the adapted model performs optimally. Our work bridges the gap between UDA research and practical UDA evaluation, enabling a realistic assessment of UDA model performance. We validate the effectiveness of our metric through extensive empirical studies conducted on various public datasets. The results demonstrate the utility of the transfer score in evaluating UDA models and its potential to enhance the overall efficacy of UDA techniques.

Nearly all jurisdictions in the United States require a professional license exam, commonly referred to as "the Bar Exam," as a precondition for law practice. To even sit for the exam, most jurisdictions require that an applicant completes at least seven years of post-secondary education, including three years at an accredited law school. In addition, most test-takers also undergo weeks to months of further, exam-specific preparation. Despite this significant investment of time and capital, approximately one in five test-takers still score under the rate required to pass the exam on their first try. In the face of a complex task that requires such depth of knowledge, what, then, should we expect of the state of the art in "AI?" In this research, we document our experimental evaluation of the performance of OpenAI's `text-davinci-003` model, often-referred to as GPT-3.5, on the multistate multiple choice (MBE) section of the exam. While we find no benefit in fine-tuning over GPT-3.5's zero-shot performance at the scale of our training data, we do find that hyperparameter optimization and prompt engineering positively impacted GPT-3.5's zero-shot performance. For best prompt and parameters, GPT-3.5 achieves a headline correct rate of 50.3% on a complete NCBE MBE practice exam, significantly in excess of the 25% baseline guessing rate, and performs at a passing rate for both Evidence and Torts. GPT-3.5's ranking of responses is also highly-correlated with correctness; its top two and top three choices are correct 71% and 88% of the time, respectively, indicating very strong non-entailment performance. While our ability to interpret these results is limited by nascent scientific understanding of LLMs and the proprietary nature of GPT, we believe that these results strongly suggest that an LLM will pass the MBE component of the Bar Exam in the near future.

Visual speech recognition (VSR) aims to recognize the content of speech based on lip movements, without relying on the audio stream. Advances in deep learning and the availability of large audio-visual datasets have led to the development of much more accurate and robust VSR models than ever before. However, these advances are usually due to the larger training sets rather than the model design. Here we demonstrate that designing better models is equally as important as using larger training sets. We propose the addition of prediction-based auxiliary tasks to a VSR model, and highlight the importance of hyperparameter optimization and appropriate data augmentations. We show that such a model works for different languages and outperforms all previous methods trained on publicly available datasets by a large margin. It even outperforms models that were trained on non-publicly available datasets containing up to to 21 times more data. We show, furthermore, that using additional training data, even in other languages or with automatically generated transcriptions, results in further improvement.

Deep learning (DL) techniques have penetrated all aspects of our lives and brought us great convenience. However, building a high-quality DL system for a specific task highly relies on human expertise, hindering the applications of DL to more areas. Automated machine learning (AutoML) becomes a promising solution to build a DL system without human assistance, and a growing number of researchers focus on AutoML. In this paper, we provide a comprehensive and up-to-date review of the state-of-the-art (SOTA) in AutoML. First, we introduce AutoML methods according to the pipeline, covering data preparation, feature engineering, hyperparameter optimization, and neural architecture search (NAS). We focus more on NAS, as it is currently very hot sub-topic of AutoML. We summarize the performance of the representative NAS algorithms on the CIFAR-10 and ImageNet datasets and further discuss several worthy studying directions of NAS methods: one/two-stage NAS, one-shot NAS, and joint hyperparameter and architecture optimization. Finally, we discuss some open problems of the existing AutoML methods for future research.

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the underlying function dynamics. However, the ability of Bayesian optimization to incorporate prior knowledge or beliefs about the function at hand in order to accelerate the optimization is limited, which reduces its appeal for knowledgeable practitioners with tight budgets. To allow domain experts to customize the optimization routine, we propose ColaBO, the first Bayesian-principled framework for incorporating prior beliefs beyond the typical kernel structure, such as the likely location of the optimizer or the optimal value. The generality of ColaBO makes it applicable across different Monte Carlo acquisition functions and types of user beliefs. We empirically demonstrate ColaBO's ability to substantially accelerate optimization when the prior information is accurate, and to retain approximately default performance when it is misleading.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

We study compute efficiency of LLM training when using different parameterizations, i.e., rules for adjusting model and optimizer hyperparameters (HPs) as model size changes. Some parameterizations fail to transfer optimal base HPs (such as learning rate) across changes in model depth, requiring practitioners to either re-tune these HPs as they scale up (expensive), or accept sub-optimal training when re-tuning is prohibitive. Even when they achieve HP transfer, we develop theory to show parameterizations may still exist in the lazy learning regime where layers learn only features close to their linearization, preventing effective use of depth and nonlinearity. Finally, we identify and adopt the parameterization we call CompleteP that achieves both depth-wise HP transfer and non-lazy learning in all layers. CompleteP enables a wider range of model width/depth ratios to remain compute-efficient, unlocking shapes better suited for different hardware settings and operational contexts. Moreover, CompleteP enables 12-34% compute efficiency improvements over the prior state-of-the-art.

This paper studies the role of over-parametrization in solving non-convex optimization problems. The focus is on the important class of low-rank matrix sensing, where we propose an infinite hierarchy of non-convex problems via the lifting technique and the Burer-Monteiro factorization. This contrasts with the existing over-parametrization technique where the search rank is limited by the dimension of the matrix and it does not allow a rich over-parametrization of an arbitrary degree. We show that although the spurious solutions of the problem remain stationary points through the hierarchy, they will be transformed into strict saddle points (under some technical conditions) and can be escaped via local search methods. This is the first result in the literature showing that over-parametrization creates a negative curvature for escaping spurious solutions. We also derive a bound on how much over-parametrization is requited to enable the elimination of spurious solutions.

This study addresses the challenge of noise in training datasets for Direct Preference Optimization (DPO), a method for aligning Large Language Models (LLMs) with human preferences. We categorize noise into pointwise noise, which includes low-quality data points, and pairwise noise, which encompasses erroneous data pair associations that affect preference rankings. Utilizing Distributionally Robust Optimization (DRO), we enhance DPO's resilience to these types of noise. Our theoretical insights reveal that DPO inherently embeds DRO principles, conferring robustness to pointwise noise, with the regularization coefficient beta playing a critical role in its noise resistance. Extending this framework, we introduce Distributionally Robustifying DPO (Dr. DPO), which integrates pairwise robustness by optimizing against worst-case pairwise scenarios. The novel hyperparameter beta' in Dr. DPO allows for fine-tuned control over data pair reliability, providing a strategic balance between exploration and exploitation in noisy training environments. Empirical evaluations demonstrate that Dr. DPO substantially improves the quality of generated text and response accuracy in preference datasets, showcasing enhanced performance in both noisy and noise-free settings. The code is available at https://github.com/junkangwu/Dr_DPO.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.

Yes. SE data can have "smoother" boundaries between classes (compared to traditional AI data sets). To be more precise, the magnitude of the second derivative of the loss function found in SE data is typically much smaller. A new hyper-parameter optimizer, called SMOOTHIE, can exploit this idiosyncrasy of SE data. We compare SMOOTHIE and a state-of-the-art AI hyper-parameter optimizer on three tasks: (a) GitHub issue lifetime prediction (b) detecting static code warnings false alarm; (c) defect prediction. For completeness, we also show experiments on some standard AI datasets. SMOOTHIE runs faster and predicts better on the SE data--but ties on non-SE data with the AI tool. Hence we conclude that SE data can be different to other kinds of data; and those differences mean that we should use different kinds of algorithms for our data. To support open science and other researchers working in this area, all our scripts and datasets are available on-line at https://github.com/yrahul3910/smoothness-hpo/.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

Model-based reinforcement learning promises to learn an optimal policy from fewer interactions with the environment compared to model-free reinforcement learning by learning an intermediate model of the environment in order to predict future interactions. When predicting a sequence of interactions, the rollout length, which limits the prediction horizon, is a critical hyperparameter as accuracy of the predictions diminishes in the regions that are further away from real experience. As a result, with a longer rollout length, an overall worse policy is learned in the long run. Thus, the hyperparameter provides a trade-off between quality and efficiency. In this work, we frame the problem of tuning the rollout length as a meta-level sequential decision-making problem that optimizes the final policy learned by model-based reinforcement learning given a fixed budget of environment interactions by adapting the hyperparameter dynamically based on feedback from the learning process, such as accuracy of the model and the remaining budget of interactions. We use model-free deep reinforcement learning to solve the meta-level decision problem and demonstrate that our approach outperforms common heuristic baselines on two well-known reinforcement learning environments.

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

Efficient hyperparameter or architecture search methods have shown remarkable results, but each of them is only applicable to searching for either hyperparameters (HPs) or architectures. In this work, we propose a unified pipeline, AutoHAS, to efficiently search for both architectures and hyperparameters. AutoHAS learns to alternately update the shared network weights and a reinforcement learning (RL) controller, which learns the probability distribution for the architecture candidates and HP candidates. A temporary weight is introduced to store the updated weight from the selected HPs (by the controller), and a validation accuracy based on this temporary weight serves as a reward to update the controller. In experiments, we show AutoHAS is efficient and generalizable to different search spaces, baselines and datasets. In particular, AutoHAS can improve the accuracy over popular network architectures, such as ResNet and EfficientNet, on CIFAR-10/100, ImageNet, and four more other datasets.

Learning in Gaussian Process models occurs through the adaptation of hyperparameters of the mean and the covariance function. The classical approach entails maximizing the marginal likelihood yielding fixed point estimates (an approach called Type II maximum likelihood or ML-II). An alternative learning procedure is to infer the posterior over hyperparameters in a hierarchical specification of GPs we call Fully Bayesian Gaussian Process Regression (GPR). This work considers two approximation schemes for the intractable hyperparameter posterior: 1) Hamiltonian Monte Carlo (HMC) yielding a sampling-based approximation and 2) Variational Inference (VI) where the posterior over hyperparameters is approximated by a factorized Gaussian (mean-field) or a full-rank Gaussian accounting for correlations between hyperparameters. We analyze the predictive performance for fully Bayesian GPR on a range of benchmark data sets.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Robust and effective scaling of models from small to large width typically requires the precise adjustment of many algorithmic and architectural details, such as parameterization and optimizer choices. In this work, we propose a new perspective on parameterization by investigating a key assumption in prior work about the alignment between parameters and data and derive new theoretical results under weaker assumptions and a broader set of optimizers. Our extensive empirical investigation includes tens of thousands of models trained with all combinations of three optimizers, four parameterizations, several alignment assumptions, more than a dozen learning rates, and fourteen model sizes up to 26.8B parameters. We find that the best learning rate scaling prescription would often have been excluded by the assumptions in prior work. Our results show that all parameterizations, not just maximal update parameterization (muP), can achieve hyperparameter transfer; moreover, our novel per-layer learning rate prescription for standard parameterization outperforms muP. Finally, we demonstrate that an overlooked aspect of parameterization, the epsilon parameter in Adam, must be scaled correctly to avoid gradient underflow and propose Adam-atan2, a new numerically stable, scale-invariant version of Adam that eliminates the epsilon hyperparameter entirely.

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

Conventional wisdom dictates that small batch sizes make language model pretraining and fine-tuning unstable, motivating gradient accumulation, which trades off the number of optimizer steps for a proportional increase in batch size. While it is common to decrease the learning rate for smaller batch sizes, other hyperparameters are often held fixed. In this work, we revisit small batch sizes all the way down to batch size one, and we propose a rule for scaling Adam hyperparameters to small batch sizes. We find that small batch sizes (1) train stably, (2) are consistently more robust to hyperparameter choices, (3) achieve equal or better per-FLOP performance than larger batch sizes, and (4) notably enable stable language model training with vanilla SGD, even without momentum, despite storing no optimizer state. Building on these results, we provide practical recommendations for selecting a batch size and setting optimizer hyperparameters. We further recommend against gradient accumulation unless training on multiple devices with multiple model replicas, bottlenecked by inter-device bandwidth.

Bayesian optimization (BO) has established itself as a leading strategy for efficiently optimizing expensive-to-evaluate functions. Existing BO methods mostly rely on Gaussian process (GP) surrogate models and are not applicable to (doubly-stochastic) Gaussian Cox processes, where the observation process is modulated by a latent intensity function modeled as a GP. In this paper, we propose a novel maximum a posteriori inference of Gaussian Cox processes. It leverages the Laplace approximation and change of kernel technique to transform the problem into a new reproducing kernel Hilbert space, where it becomes more tractable computationally. It enables us to obtain both a functional posterior of the latent intensity function and the covariance of the posterior, thus extending existing works that often focus on specific link functions or estimating the posterior mean. Using the result, we propose a BO framework based on the Gaussian Cox process model and further develop a Nystr\"om approximation for efficient computation. Extensive evaluations on various synthetic and real-world datasets demonstrate significant improvement over state-of-the-art inference solutions for Gaussian Cox processes, as well as effective BO with a wide range of acquisition functions designed through the underlying Gaussian Cox process model.

In several recently proposed stochastic optimization methods (e.g. RMSProp, Adam, Adadelta), parameter updates are scaled by the inverse square roots of exponential moving averages of squared past gradients. Maintaining these per-parameter second-moment estimators requires memory equal to the number of parameters. For the case of neural network weight matrices, we propose maintaining only the per-row and per-column sums of these moving averages, and estimating the per-parameter second moments based on these sums. We demonstrate empirically that this method produces similar results to the baseline. Secondly, we show that adaptive methods can produce larger-than-desired updates when the decay rate of the second moment accumulator is too slow. We propose update clipping and a gradually increasing decay rate scheme as remedies. Combining these methods and dropping momentum, we achieve comparable results to the published Adam regime in training the Transformer model on the WMT 2014 English-German machine translation task, while using very little auxiliary storage in the optimizer. Finally, we propose scaling the parameter updates based on the scale of the parameters themselves.

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

In current deep learning tasks, Adam style optimizers such as Adam, Adagrad, RMSProp, Adafactor, and Lion have been widely used as alternatives to SGD style optimizers. These optimizers typically update model parameters using the sign of gradients, resulting in more stable convergence curves. The learning rate and the batch size are the most critical hyperparameters for optimizers, which require careful tuning to enable effective convergence. Previous research has shown that the optimal learning rate increases linearly or follows similar rules with batch size for SGD style optimizers. However, this conclusion is not applicable to Adam style optimizers. In this paper, we elucidate the connection between optimal learning rates and batch sizes for Adam style optimizers through both theoretical analysis and extensive experiments. First, we raise the scaling law between batch sizes and optimal learning rates in the sign of gradient case, in which we prove that the optimal learning rate first rises and then falls as the batch size increases. Moreover, the peak value of the surge will gradually move toward the larger batch size as training progresses. Second, we conducted experiments on various CV and NLP tasks and verified the correctness of the scaling law.

In many neural networks, different values of the parameters may result in the same loss value. Parameter space symmetries are loss-invariant transformations that change the model parameters. Teleportation applies such transformations to accelerate optimization. However, the exact mechanism behind this algorithm's success is not well understood. In this paper, we show that teleportation not only speeds up optimization in the short-term, but gives overall faster time to convergence. Additionally, teleporting to minima with different curvatures improves generalization, which suggests a connection between the curvature of the minimum and generalization ability. Finally, we show that integrating teleportation into a wide range of optimization algorithms and optimization-based meta-learning improves convergence. Our results showcase the versatility of teleportation and demonstrate the potential of incorporating symmetry in optimization.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens X and makes them interact through pairwise similarities computed as softmax(XQK^top X^top), where (K,Q) are the trainable key-query parameters. In this work, we establish a formal equivalence between the optimization geometry of self-attention and a hard-margin SVM problem that separates optimal input tokens from non-optimal tokens using linear constraints on the outer-products of token pairs. This formalism allows us to characterize the implicit bias of 1-layer transformers optimized with gradient descent: (1) Optimizing the attention layer with vanishing regularization, parameterized by (K,Q), converges in direction to an SVM solution minimizing the nuclear norm of the combined parameter W=KQ^top. Instead, directly parameterizing by W minimizes a Frobenius norm objective. We characterize this convergence, highlighting that it can occur toward locally-optimal directions rather than global ones. (2) Complementing this, we prove the local/global directional convergence of gradient descent under suitable geometric conditions. Importantly, we show that over-parameterization catalyzes global convergence by ensuring the feasibility of the SVM problem and by guaranteeing a benign optimization landscape devoid of stationary points. (3) While our theory applies primarily to linear prediction heads, we propose a more general SVM equivalence that predicts the implicit bias with nonlinear heads. Our findings are applicable to arbitrary datasets and their validity is verified via experiments. We also introduce several open problems and research directions. We believe these findings inspire the interpretation of transformers as a hierarchy of SVMs that separates and selects optimal tokens.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of O(T) where T is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than Bayesian optimization approaches in high dimensional cases, even if the model is misspecified.

Various algorithms for continual learning (CL) have been designed with the goal of effectively alleviating the trade-off between stability and plasticity during the CL process. To achieve this goal, tuning appropriate hyperparameters for each algorithm is essential. As an evaluation protocol, it has been common practice to train a CL algorithm using diverse hyperparameter values on a CL scenario constructed with a benchmark dataset. Subsequently, the best performance attained with the optimal hyperparameter value serves as the criterion for evaluating the CL algorithm. In this paper, we contend that this evaluation protocol is not only impractical but also incapable of effectively assessing the CL capability of a CL algorithm. Returning to the fundamental principles of model evaluation in machine learning, we propose an evaluation protocol that involves Hyperparameter Tuning and Evaluation phases. Those phases consist of different datasets but share the same CL scenario. In the Hyperparameter Tuning phase, each algorithm is iteratively trained with different hyperparameter values to find the optimal hyperparameter values. Subsequently, in the Evaluation phase, the optimal hyperparameter values is directly applied for training each algorithm, and their performance in the Evaluation phase serves as the criterion for evaluating them. Through experiments on CIFAR-100 and ImageNet-100 based on the proposed protocol in class-incremental learning, we not only observed that the existing evaluation method fail to properly assess the CL capability of each algorithm but also observe that some recently proposed state-of-the-art algorithms, which reported superior performance, actually exhibit inferior performance compared to the previous algorithm.

We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's theoretical advantages of optimization stability, convergence speed and generalization performance.

Approximate inference in Gaussian process (GP) models with non-conjugate likelihoods gets entangled with the learning of the model hyperparameters. We improve hyperparameter learning in GP models and focus on the interplay between variational inference (VI) and the learning target. While VI's lower bound to the marginal likelihood is a suitable objective for inferring the approximate posterior, we show that a direct approximation of the marginal likelihood as in Expectation Propagation (EP) is a better learning objective for hyperparameter optimization. We design a hybrid training procedure to bring the best of both worlds: it leverages conjugate-computation VI for inference and uses an EP-like marginal likelihood approximation for hyperparameter learning. We compare VI, EP, Laplace approximation, and our proposed training procedure and empirically demonstrate the effectiveness of our proposal across a wide range of data sets.

The Maximal Update Parametrization (muP) aims to make the optimal hyperparameters (HPs) of a model independent of its size, allowing them to be swept using a cheap proxy model rather than the full-size target model. We present a new scheme, u-muP, which improves upon muP by combining it with Unit Scaling, a method for designing models that makes them easy to train in low-precision. The two techniques have a natural affinity: muP ensures that the scale of activations is independent of model size, and Unit Scaling ensures that activations, weights and gradients begin training with a scale of one. This synthesis opens the door to a simpler scheme, whose default values are near-optimal. This in turn facilitates a more efficient sweeping strategy, with u-muP models reaching a lower loss than comparable muP models and working out-of-the-box in FP8.

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

Existing learning rate schedules that do not require specification of the optimization stopping step T are greatly out-performed by learning rate schedules that depend on T. We propose an approach that avoids the need for this stopping time by eschewing the use of schedules entirely, while exhibiting state-of-the-art performance compared to schedules across a wide family of problems ranging from convex problems to large-scale deep learning problems. Our Schedule-Free approach introduces no additional hyper-parameters over standard optimizers with momentum. Our method is a direct consequence of a new theory we develop that unifies scheduling and iterate averaging. An open source implementation of our method is available (https://github.com/facebookresearch/schedule_free).

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose SurCo that learns linear text{Sur}rogate costs which can be used in existing text{Co}mbinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem. The surrogate costs are learned end-to-end with nonlinear loss by differentiating through the linear surrogate solver, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We propose three SurCo variants: SurCo-zero for individual nonlinear problems, SurCo-prior for problem distributions, and SurCo-hybrid to combine both distribution and problem-specific information. We give theoretical intuition motivating SurCo, and evaluate it empirically. Experiments show that SurCo finds better solutions faster than state-of-the-art and domain expert approaches in real-world optimization problems such as embedding table sharding, inverse photonic design, and nonlinear route planning.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

This paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

Optimization in machine learning, both theoretical and applied, is presently dominated by first-order gradient methods such as stochastic gradient descent. Second-order optimization methods, that involve second derivatives and/or second order statistics of the data, are far less prevalent despite strong theoretical properties, due to their prohibitive computation, memory and communication costs. In an attempt to bridge this gap between theoretical and practical optimization, we present a scalable implementation of a second-order preconditioned method (concretely, a variant of full-matrix Adagrad), that along with several critical algorithmic and numerical improvements, provides significant convergence and wall-clock time improvements compared to conventional first-order methods on state-of-the-art deep models. Our novel design effectively utilizes the prevalent heterogeneous hardware architecture for training deep models, consisting of a multicore CPU coupled with multiple accelerator units. We demonstrate superior performance compared to state-of-the-art on very large learning tasks such as machine translation with Transformers, language modeling with BERT, click-through rate prediction on Criteo, and image classification on ImageNet with ResNet-50.

Machine learning is a prevalent approach to tame the complexity of design space exploration for domain-specific architectures. Using ML for design space exploration poses challenges. First, it's not straightforward to identify the suitable algorithm from an increasing pool of ML methods. Second, assessing the trade-offs between performance and sample efficiency across these methods is inconclusive. Finally, lack of a holistic framework for fair, reproducible, and objective comparison across these methods hinders progress of adopting ML-aided architecture design space exploration and impedes creating repeatable artifacts. To mitigate these challenges, we introduce ArchGym, an open-source gym and easy-to-extend framework that connects diverse search algorithms to architecture simulators. To demonstrate utility, we evaluate ArchGym across multiple vanilla and domain-specific search algorithms in designing custom memory controller, deep neural network accelerators, and custom SoC for AR/VR workloads, encompassing over 21K experiments. Results suggest that with unlimited samples, ML algorithms are equally favorable to meet user-defined target specification if hyperparameters are tuned; no solution is necessarily better than another (e.g., reinforcement learning vs. Bayesian methods). We coin the term hyperparameter lottery to describe the chance for a search algorithm to find an optimal design provided meticulously selected hyperparameters. The ease of data collection and aggregation in ArchGym facilitates research in ML-aided architecture design space exploration. As a case study, we show this advantage by developing a proxy cost model with an RMSE of 0.61% that offers a 2,000-fold reduction in simulation time. Code and data for ArchGym is available at https://bit.ly/ArchGym.

This paper presents a practical investigation into fine-tuning model parameters for mathematical reasoning tasks through experimenting with various configurations including randomness control, reasoning depth, and sampling strategies, careful tuning demonstrates substantial improvements in efficiency as well as performance. A holistically optimized framework is introduced for five state-of-the-art models on mathematical reasoning tasks, exhibiting significant performance boosts while maintaining solution correctness. Through systematic parameter optimization across Qwen2.5-72B, Llama-3.1-70B, DeepSeek-V3, Mixtral-8x22B, and Yi-Lightning, consistent efficiency gains are demonstrated with 100% optimization success rate. The methodology achieves an average 29.4% reduction in computational cost and 23.9% improvement in inference speed across all tested models. This framework systematically searches parameter spaces including temperature (0.1-0.5), reasoning steps (4-12), planning periods (1-4), and nucleus sampling (0.85-0.98), determining optimal configurations through testing on mathematical reasoning benchmarks. Critical findings show that lower temperature regimes (0.1-0.4) and reduced reasoning steps (4-6) consistently enhance efficiency without compromising accuracy. DeepSeek-V3 achieves the highest accuracy at 98%, while Mixtral-8x22B delivers the most cost-effective performance at 361.5 tokens per accurate response. Key contributions include: (1) the first comprehensive optimization study for five diverse SOTA models in mathematical reasoning, (2) a standardized production-oriented parameter optimization framework, (3) discovery of universal optimization trends applicable across model architectures, and (4) production-ready configurations with extensive performance characterization.

Hyperbolic geometry is gaining traction in machine learning for its effectiveness at capturing hierarchical structures in real-world data. Hyperbolic spaces, where neighborhoods grow exponentially, offer substantial advantages and consistently deliver state-of-the-art results across diverse applications. However, hyperbolic classifiers often grapple with computational challenges. Methods reliant on Riemannian optimization frequently exhibit sluggishness, stemming from the increased computational demands of operations on Riemannian manifolds. In response to these challenges, we present hyperDT, a novel extension of decision tree algorithms into hyperbolic space. Crucially, hyperDT eliminates the need for computationally intensive Riemannian optimization, numerically unstable exponential and logarithmic maps, or pairwise comparisons between points by leveraging inner products to adapt Euclidean decision tree algorithms to hyperbolic space. Our approach is conceptually straightforward and maintains constant-time decision complexity while mitigating the scalability issues inherent in high-dimensional Euclidean spaces. Building upon hyperDT we introduce hyperRF, a hyperbolic random forest model. Extensive benchmarking across diverse datasets underscores the superior performance of these models, providing a swift, precise, accurate, and user-friendly toolkit for hyperbolic data analysis.

We focus on the problem of black-box adversarial attacks, where the aim is to generate adversarial examples for deep learning models solely based on information limited to output label~(hard label) to a queried data input. We propose a simple and efficient Bayesian Optimization~(BO) based approach for developing black-box adversarial attacks. Issues with BO's performance in high dimensions are avoided by searching for adversarial examples in a structured low-dimensional subspace. We demonstrate the efficacy of our proposed attack method by evaluating both ell_infty and ell_2 norm constrained untargeted and targeted hard label black-box attacks on three standard datasets - MNIST, CIFAR-10 and ImageNet. Our proposed approach consistently achieves 2x to 10x higher attack success rate while requiring 10x to 20x fewer queries compared to the current state-of-the-art black-box adversarial attacks.

Policy optimization methods are powerful algorithms in Reinforcement Learning (RL) for their flexibility to deal with policy parameterization and ability to handle model misspecification. However, these methods usually suffer from slow convergence rates and poor sample complexity. Hence it is important to design provably sample efficient algorithms for policy optimization. Yet, recent advances for this problems have only been successful in tabular and linear setting, whose benign structures cannot be generalized to non-linearly parameterized policies. In this paper, we address this problem by leveraging recent advances in value-based algorithms, including bounded eluder-dimension and online sensitivity sampling, to design a low-switching sample-efficient policy optimization algorithm, LPO, with general non-linear function approximation. We show that, our algorithm obtains an varepsilon-optimal policy with only O(text{poly(d)}{varepsilon^3}) samples, where varepsilon is the suboptimality gap and d is a complexity measure of the function class approximating the policy. This drastically improves previously best-known sample bound for policy optimization algorithms, O(text{poly(d)}{varepsilon^8}). Moreover, we empirically test our theory with deep neural nets to show the benefits of the theoretical inspiration.

Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have recently been proposed, in large part building upon precursors from the more traditional graph neural network (GNN) literature. Somewhat differently, in this paper we begin by presenting an expressive family of parameterized, hypergraph-regularized energy functions. We then demonstrate how minimizers of these energies effectively serve as node embeddings that, when paired with a parameterized classifier, can be trained end-to-end via a supervised bilevel optimization process. Later, we draw parallels between the implicit architecture of the predictive models emerging from the proposed bilevel hypergraph optimization, and existing GNN architectures in common use. Empirically, we demonstrate state-of-the-art results on various hypergraph node classification benchmarks. Code is available at https://github.com/yxzwang/PhenomNN.