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Proteins are shaped by gradual evolution under biophysical and functional constraints. Protein language models learn rich evolutionary constraints from large-scale sequences, and discrete diffusion-based protein language models~(\eg, DPLMs)…

Machine Learning · Computer Science 2026-05-14 Xinyou Wang , Liang Hong , Jiasheng Ye , Zaixiang Zheng , Yu Li , Shujian Huang , Quanquan Gu

Large Language Models exhibit mode collapse, producing homogeneous outputs that fail to explore valid solution spaces. We present QD-LLM, a framework for parameter-efficient neuroevolution that evolves prompt embeddings, compact neural…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Dongxin Guo , Jikun Wu , Siu Ming Yiu

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Diffusion language models promise parallel generation, yet still lag behind autoregressive (AR) models in quality. We stem this gap to a failure of introspective consistency: AR models agree with their own generations, while DLMs often do…

Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Of particular note is the field of ``AI-Art'', which has seen unprecedented growth with the emergence of powerful…

Computer Vision and Pattern Recognition · Computer Science 2022-07-27 Robin Rombach , Andreas Blattmann , Björn Ommer

Latent diffusion models offer an attractive alternative to discrete diffusion for non-autoregressive text generation by operating on continuous text representations and denoising entire sequences in parallel. The major challenge in latent…

Computation and Language · Computer Science 2026-05-11 Viacheslav Meshchaninov , Alexander Shabalin , Egor Chimbulatov , Nikita Gushchin , Ilya Koziev , Alexander Korotin , Dmitry Vetrov

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various…

Materials Science · Physics 2023-10-20 Markus J. Buehler

Masked Diffusion Language Models (MDLMs) promise parallel token generation and arbitrary-order decoding, yet it remains unclear to what extent current models truly realize these capabilities. We characterize MDLM behavior along two…

Comprehending the long-timescale dynamics of protein-ligand complexes is very important for drug discovery and structural biology, but it continues to be computationally challenging for large biomolecular systems. We introduce…

Biomolecules · Quantitative Biology 2025-08-26 Rakesh Thakur , Riya Gupta

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Diffusion language models (DLMs) generate text through iterative denoising, but inference requires full-sequence attention at every iteration, resulting in substantial redundant computation on masked tokens. Block-wise diffusion can reduce…

Machine Learning · Computer Science 2026-02-03 Fengrui Zuo , Zhiwei Ke , Yiming Liu , Wenqi Lou , Chao Wang , Xuehai Zhou

In this paper we introduce Hierarchical Diffusion Language Models (HDLM) -- a novel family of discrete diffusion models for language modeling. HDLM builds on a hierarchical vocabulary where low-level tokens with detailed semantics are…

Computation and Language · Computer Science 2025-10-13 Cai Zhou , Chenyu Wang , Dinghuai Zhang , Shangyuan Tong , Yifei Wang , Stephen Bates , Tommi Jaakkola

Protein language models (pLMs), pre-trained via causal language modeling on protein sequences, have been a promising tool for protein sequence design. In real-world protein engineering, there are many cases where the amino acids in the…

Machine Learning · Computer Science 2023-03-30 Youhan Lee , Hasun Yu

This paper presents the Text Encoding Diffusion Model (TEncDM), a novel approach to diffusion modeling that operates in the space of pre-trained language model encodings. In contrast to traditionally used embeddings, encodings integrate…

Masked diffusion models (MDMs) generate discrete sequences by iterative denoising under an absorbing masking process. In standard masked diffusion, if a token remains masked after a reverse update, the model discards its clean-state…

Machine Learning · Computer Science 2026-05-01 Michael Cardei , Huu Binh Ta , Ferdinando Fioretto

The tremendous progress in neural image generation, coupled with the emergence of seemingly omnipotent vision-language models has finally enabled text-based interfaces for creating and editing images. Handling generic images requires a…

Computer Vision and Pattern Recognition · Computer Science 2023-07-27 Omri Avrahami , Ohad Fried , Dani Lischinski

Discrete diffusion language models have emerged as a competitive alternative to auto-regressive language models, but training them efficiently under limited parameter and memory budgets remains challenging. Modern architectures are…

Computation and Language · Computer Science 2026-04-07 Zihao Wu , Haoming Yang , Juncheng Dong , Vahid Tarokh

The most advanced diffusion models have recently adopted increasingly deep stacked networks (e.g., U-Net or Transformer) to promote the generative emergence capabilities of vision generation models similar to large language models (LLMs).…

Computer Vision and Pattern Recognition · Computer Science 2024-07-23 Zhiyuan Ma , Liangliang Zhao , Biqing Qi , Bowen Zhou

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

Discrete masked diffusion language models such as LLaDA generate text through iterative denoising, where mask tokens are progressively replaced with predicted tokens. LLaDA2.1 introduced a Token-to-Token (T2T) editing mechanism that…

Computation and Language · Computer Science 2026-05-27 Lin Yao