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Sep 8

Discrete Tokenization for Multimodal LLMs: A Comprehensive Survey

The rapid advancement of large language models (LLMs) has intensified the need for effective mechanisms to transform continuous multimodal data into discrete representations suitable for language-based processing. Discrete tokenization, with vector quantization (VQ) as a central approach, offers both computational efficiency and compatibility with LLM architectures. Despite its growing importance, there is a lack of a comprehensive survey that systematically examines VQ techniques in the context of LLM-based systems. This work fills this gap by presenting the first structured taxonomy and analysis of discrete tokenization methods designed for LLMs. We categorize 8 representative VQ variants that span classical and modern paradigms and analyze their algorithmic principles, training dynamics, and integration challenges with LLM pipelines. Beyond algorithm-level investigation, we discuss existing research in terms of classical applications without LLMs, LLM-based single-modality systems, and LLM-based multimodal systems, highlighting how quantization strategies influence alignment, reasoning, and generation performance. In addition, we identify key challenges including codebook collapse, unstable gradient estimation, and modality-specific encoding constraints. Finally, we discuss emerging research directions such as dynamic and task-adaptive quantization, unified tokenization frameworks, and biologically inspired codebook learning. This survey bridges the gap between traditional vector quantization and modern LLM applications, serving as a foundational reference for the development of efficient and generalizable multimodal systems. A continuously updated version is available at: https://github.com/jindongli-Ai/LLM-Discrete-Tokenization-Survey.

Multimodal Molecular Pretraining via Modality Blending

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.