new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Sep 9

GeoT: Geometry-guided Instance-dependent Transition Matrix for Semi-supervised Tooth Point Cloud Segmentation

Achieving meticulous segmentation of tooth point clouds from intra-oral scans stands as an indispensable prerequisite for various orthodontic applications. Given the labor-intensive nature of dental annotation, a significant amount of data remains unlabeled, driving increasing interest in semi-supervised approaches. One primary challenge of existing semi-supervised medical segmentation methods lies in noisy pseudo labels generated for unlabeled data. To address this challenge, we propose GeoT, the first framework that employs instance-dependent transition matrix (IDTM) to explicitly model noise in pseudo labels for semi-supervised dental segmentation. Specifically, to handle the extensive solution space of IDTM arising from tens of thousands of dental points, we introduce tooth geometric priors through two key components: point-level geometric regularization (PLGR) to enhance consistency between point adjacency relationships in 3D and IDTM spaces, and class-level geometric smoothing (CLGS) to leverage the fixed spatial distribution of tooth categories for optimal IDTM estimation. Extensive experiments performed on the public Teeth3DS dataset and private dataset demonstrate that our method can make full utilization of unlabeled data to facilitate segmentation, achieving performance comparable to fully supervised methods with only 20% of the labeled data.

Machine Vision Therapy: Multimodal Large Language Models Can Enhance Visual Robustness via Denoising In-Context Learning

Although vision models such as Contrastive Language-Image Pre-Training (CLIP) show impressive generalization performance, their zero-shot robustness is still limited under Out-of-Distribution (OOD) scenarios without fine-tuning. Instead of undesirably providing human supervision as commonly done, it is possible to take advantage of Multi-modal Large Language Models (MLLMs) that hold powerful visual understanding abilities. However, MLLMs are shown to struggle with vision problems due to the incompatibility of tasks, thus hindering their utilization. In this paper, we propose to effectively leverage MLLMs to conduct Machine Vision Therapy which aims to rectify the noisy predictions from vision models. By fine-tuning with the denoised labels, the learning model performance can be boosted in an unsupervised manner. To solve the incompatibility issue, we propose a novel Denoising In-Context Learning (DICL) strategy to align vision tasks with MLLMs. Concretely, by estimating a transition matrix that captures the probability of one class being confused with another, an instruction containing a correct exemplar and an erroneous one from the most probable noisy class can be constructed. Such an instruction can help any MLLMs with ICL ability to detect and rectify incorrect predictions of vision models. Through extensive experiments on ImageNet, WILDS, DomainBed, and other OOD datasets, we carefully validate the quantitative and qualitative effectiveness of our method. Our code is available at https://github.com/tmllab/Machine_Vision_Therapy.

What if LLMs Have Different World Views: Simulating Alien Civilizations with LLM-based Agents

In this study, we introduce "CosmoAgent," an innovative artificial intelligence framework utilizing Large Language Models (LLMs) to simulate complex interactions between human and extraterrestrial civilizations, with a special emphasis on Stephen Hawking's cautionary advice about not sending radio signals haphazardly into the universe. The goal is to assess the feasibility of peaceful coexistence while considering potential risks that could threaten well-intentioned civilizations. Employing mathematical models and state transition matrices, our approach quantitatively evaluates the development trajectories of civilizations, offering insights into future decision-making at critical points of growth and saturation. Furthermore, the paper acknowledges the vast diversity in potential living conditions across the universe, which could foster unique cosmologies, ethical codes, and worldviews among various civilizations. Recognizing the Earth-centric bias inherent in current LLM designs, we propose the novel concept of using LLMs with diverse ethical paradigms and simulating interactions between entities with distinct moral principles. This innovative research provides a new way to understand complex inter-civilizational dynamics, expanding our perspective while pioneering novel strategies for conflict resolution, crucial for preventing interstellar conflicts. We have also released the code and datasets to enable further academic investigation into this interesting area of research. The code is available at https://github.com/agiresearch/AlienAgent.

STree: Speculative Tree Decoding for Hybrid State-Space Models

Speculative decoding is a technique to leverage hardware concurrency to improve the efficiency of large-scale autoregressive (AR) Transformer models by enabling multiple steps of token generation in a single forward pass. State-space models (SSMs) are already more efficient than AR Transformers, since their state summarizes all past data with no need to cache or re-process tokens in the sliding window context. However, their state can also comprise thousands of tokens; so, speculative decoding has recently been extended to SSMs. Existing approaches, however, do not leverage the tree-based verification methods, since current SSMs lack the means to compute a token tree efficiently. We propose the first scalable algorithm to perform tree-based speculative decoding in state-space models (SSMs) and hybrid architectures of SSMs and Transformer layers. We exploit the structure of accumulated state transition matrices to facilitate tree-based speculative decoding with minimal overhead to current SSM state update implementations. With the algorithm, we describe a hardware-aware implementation that improves naive application of AR Transformer tree-based speculative decoding methods to SSMs. Furthermore, we outperform vanilla speculative decoding with SSMs even with a baseline drafting model and tree structure on three different benchmarks, opening up opportunities for further speed up with SSM and hybrid model inference. Code will be released upon paper acceptance.

DeltaProduct: Improving State-Tracking in Linear RNNs via Householder Products

Linear Recurrent Neural Networks (linear RNNs) have emerged as competitive alternatives to Transformers for sequence modeling, offering efficient training and linear-time inference. However, existing architectures face a fundamental trade-off between expressivity and efficiency, dictated by the structure of their state-transition matrices. Diagonal matrices, used in models such as Mamba, GLA, or mLSTM, yield fast runtime but have limited expressivity. To address this, recent architectures such as DeltaNet and RWKV-7 adopted a diagonal plus rank-1 structure, which allows simultaneous token and channel mixing, improving associative recall and, as recently shown, state-tracking when allowing negative eigenvalues in the state-transition matrices. Building on the interpretation of DeltaNet's recurrence as performing one step of online gradient descent per token on an associative recall loss, we introduce DeltaProduct, which instead takes multiple (n_h) steps per token. This naturally leads to diagonal plus rank-n_h state-transition matrices, formed as products of n_h generalized Householder transformations, providing a tunable mechanism to balance expressivity and efficiency. We provide a detailed theoretical characterization of the state-tracking capability of DeltaProduct in finite precision, showing how it improves by increasing n_h. Our extensive experiments demonstrate that DeltaProduct outperforms DeltaNet in both state-tracking and language modeling, while also showing significantly improved length extrapolation capabilities.

Unlocking State-Tracking in Linear RNNs Through Negative Eigenvalues

Linear Recurrent Neural Networks (LRNNs) such as Mamba, RWKV, GLA, mLSTM, and DeltaNet have emerged as efficient alternatives to Transformers for long sequences. However, both Transformers and LRNNs struggle to perform state-tracking, which may impair performance in tasks such as code evaluation. In one forward pass, current architectures are unable to solve even parity, the simplest state-tracking task, which non-linear RNNs can handle effectively. Recently, Sarrof et al. (2024) demonstrated that the failure of LRNNs like Mamba to solve parity stems from restricting the value range of their diagonal state-transition matrices to [0, 1] and that incorporating negative values can resolve this issue. We extend this result to non-diagonal LRNNs such as DeltaNet. We prove that finite precision LRNNs with state-transition matrices having only positive eigenvalues cannot solve parity, while non-triangular matrices are needed to count modulo 3. Notably, we also prove that LRNNs can learn any regular language when their state-transition matrices are products of identity minus vector outer product matrices, each with eigenvalues in the range [-1, 1]. Our experiments confirm that extending the eigenvalue range of Mamba and DeltaNet to include negative values not only enables them to solve parity but consistently improves their performance on state-tracking tasks. We also show that state-tracking enabled LRNNs can be pretrained stably and efficiently at scale (1.3B parameters), achieving competitive performance on language modeling and showing promise on code and math tasks.

Transition Matching: Scalable and Flexible Generative Modeling

Diffusion and flow matching models have significantly advanced media generation, yet their design space is well-explored, somewhat limiting further improvements. Concurrently, autoregressive (AR) models, particularly those generating continuous tokens, have emerged as a promising direction for unifying text and media generation. This paper introduces Transition Matching (TM), a novel discrete-time, continuous-state generative paradigm that unifies and advances both diffusion/flow models and continuous AR generation. TM decomposes complex generation tasks into simpler Markov transitions, allowing for expressive non-deterministic probability transition kernels and arbitrary non-continuous supervision processes, thereby unlocking new flexible design avenues. We explore these choices through three TM variants: (i) Difference Transition Matching (DTM), which generalizes flow matching to discrete-time by directly learning transition probabilities, yielding state-of-the-art image quality and text adherence as well as improved sampling efficiency. (ii) Autoregressive Transition Matching (ARTM) and (iii) Full History Transition Matching (FHTM) are partially and fully causal models, respectively, that generalize continuous AR methods. They achieve continuous causal AR generation quality comparable to non-causal approaches and potentially enable seamless integration with existing AR text generation techniques. Notably, FHTM is the first fully causal model to match or surpass the performance of flow-based methods on text-to-image task in continuous domains. We demonstrate these contributions through a rigorous large-scale comparison of TM variants and relevant baselines, maintaining a fixed architecture, training data, and hyperparameters.

How to Train Your HiPPO: State Space Models with Generalized Orthogonal Basis Projections

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

Accurate generation of chemical reaction transition states by conditional flow matching

Transition state (TS) structures define the critical geometries and energy barriers underlying chemical reactivity, yet their fleeting nature renders them experimentally elusive and drives the reliance on costly, high-throughput density functional theory (DFT) calculations. Here, we introduce TS-GEN, a conditional flow-matching generative model that maps samples from a simple Gaussian prior directly to transition-state saddle-point geometries in a single, deterministic pass. By embedding both reactant and product conformations as conditioning information, TS-GEN learns to transport latent noise to true TS structures via an optimal-transport path, effectively replacing the iterative optimization common in nudged-elastic band or string-method algorithms. TS-GEN delivers unprecedented accuracy, achieving a root-mean-square deviation of 0.004 mathring{A} (vs. 0.103 mathring{A} for prior state-of-the-art) and a mean barrier-height error of 1.019 {rm kcal/mol} (vs. 2.864 {rm kcal/mol}), while requiring only 0.06 {rm s} GPU time per inference. Over 87% of generated TSs meet chemical-accuracy criteria (<1.58 {rm kcal/mol} error), substantially outpacing existing methods. TS-GEN also exhibits strong transferability to out-of-distribution reactions from a larger database. By uniting sub-angstrom precision, sub-second speed, and broad applicability, TS-GEN will be highly useful for high-throughput exploration of complex reaction networks, paving the way to the exploration of novel chemical reaction mechanisms.

On the Parameterization and Initialization of Diagonal State Space Models

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.