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Diffusion models, widely used in image generation, rely on iterative refinement to generate images from noise. Understanding this data evolution is important for model development and interpretability, yet challenging due to its…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Vidya Prasad , Hans van Gorp , Christina Humer , Ruud J. G. van Sloun , Anna Vilanova , Nicola Pezzotti

Diffusion Language Models (DLMs) offer a promising alternative for language modeling by enabling parallel decoding through iterative refinement. However, most DLMs rely on hard binary masking and discrete token assignments, which hinder the…

Computation and Language · Computer Science 2026-01-19 Linhao Zhong , Linyu Wu , Bozhen Fang , Tianjian Feng , Chenchen Jing , Wen Wang , Jiaheng Zhang , Hao Chen , Chunhua Shen

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

Machine Learning · Computer Science 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

The multi-step denoising process in diffusion and Flow Matching models causes major efficiency issues, which motivates research on few-step generation. We present Solution Flow Models (SoFlow), a framework for one-step generation from…

Machine Learning · Computer Science 2026-03-03 Tianze Luo , Haotian Yuan , Zhuang Liu

Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural…

Machine Learning · Computer Science 2024-10-31 Yizhen Luo , Zikun Nie , Massimo Hong , Suyuan Zhao , Hao Zhou , Zaiqing Nie

Adapting large language models (LLMs) to a targeted task efficiently and effectively remains a fundamental challenge. Such adaptation often requires iteratively improving the model toward a targeted task, yet collecting high-quality…

Computation and Language · Computer Science 2026-04-30 Ting-Wei Li , Sirui Chen , Jiaru Zou , Yingbing Huang , Tianxin Wei , Jingrui He , Hanghang Tong

Data-efficient image classification is a challenging task that aims to solve image classification using small training data. Neural network-based deep learning methods are effective for image classification, but they typically require…

Neural and Evolutionary Computing · Computer Science 2022-12-05 Ying Bi , Bing Xue , Mengjie Zhang

Diffusion and flow-based models have become the de facto approaches for generating continuous data, e.g., in domains such as images and videos. Their success has attracted growing interest in applying them to language modeling. Unlike their…

Computation and Language · Computer Science 2026-05-12 Keya Hu , Linlu Qiu , Yiyang Lu , Hanhong Zhao , Tianhong Li , Yoon Kim , Jacob Andreas , Kaiming He

Machine- and deep-learning approaches for biological sequences depend critically on transforming raw DNA, RNA, and protein FASTA files into informative numerical representations. However, this process is often fragmented across multiple…

Genomics · Quantitative Biology 2025-12-01 Hamid Ismail , Marwan Bikdash

Recently described stochastic models of protein evolution have demonstrated that the inclusion of structural information in addition to amino acid sequences leads to a more reliable estimation of evolutionary parameters. We present a…

Populations and Evolution · Quantitative Biology 2020-09-22 Michael Golden , Eduardo García-Portugués , Michael Sørensen , Kanti V. Mardia , Thomas Hamelryck , Jotun Hein

Protein fitness optimization involves finding a protein sequence that maximizes desired quantitative properties in a combinatorially large design space of possible sequences. Recent advances in steering protein generative models (e.g.,…

Biomolecules · Quantitative Biology 2025-10-22 Jason Yang , Wenda Chu , Daniel Khalil , Raul Astudillo , Bruce J. Wittmann , Frances H. Arnold , Yisong Yue

Fine-tuning Pre-trained protein language models (PLMs) has emerged as a prominent strategy for enhancing downstream prediction tasks, often outperforming traditional supervised learning approaches. As a widely applied powerful technique in…

Computation and Language · Computer Science 2024-04-24 Yang Tan , Mingchen Li , Bingxin Zhou , Bozitao Zhong , Lirong Zheng , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

Molecular 3D conformations play a key role in determining how molecules interact with other molecules or protein surfaces. Recent deep learning advancements have improved conformation prediction, but slow training speeds and difficulties in…

Machine Learning · Computer Science 2024-12-17 Qingwen Tian , Yuxin Xu , Yixuan Yang , Zhen Wang , Ziqi Liu , Pengju Yan , Xiaolin Li

Large Language Models (LLMs) excel in various tasks, but they rely on carefully crafted prompts that often demand substantial human effort. To automate this process, in this paper, we propose a novel framework for discrete prompt…

Computation and Language · Computer Science 2025-05-02 Qingyan Guo , Rui Wang , Junliang Guo , Bei Li , Kaitao Song , Xu Tan , Guoqing Liu , Jiang Bian , Yujiu Yang

Recent diffusion and flow matching models have demonstrated strong capabilities in image generation and editing by progressively removing noise through iterative sampling. While this enables flexible inversion for semantic-preserving edits,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-27 Yasong Dai , Zeeshan Hayder , David Ahmedt-Aristizabal , Hongdong Li

Rectified flow models have become a de facto standard in image generation due to their stable sampling trajectories and high-fidelity outputs. Despite their strong generative capabilities, they face critical limitations in image editing…

Computer Vision and Pattern Recognition · Computer Science 2025-10-31 Sung-Hoon Yoon , Minghan Li , Gaspard Beaudouin , Congcong Wen , Muhammad Rafay Azhar , Mengyu Wang

This paper proposes a novel method, Explicit Flow Matching (ExFM), for training and analyzing flow-based generative models. ExFM leverages a theoretically grounded loss function, ExFM loss (a tractable form of Flow Matching (FM) loss), to…

Machine Learning · Computer Science 2024-07-03 Gleb Ryzhakov , Svetlana Pavlova , Egor Sevriugov , Ivan Oseledets

Recent advances in geometric deep learning and generative modeling have enabled the design of novel proteins with a wide range of desired properties. However, current state-of-the-art approaches are typically restricted to generating…

Biomolecules · Quantitative Biology 2025-08-26 Vsevolod Viliuga , Leif Seute , Nicolas Wolf , Simon Wagner , Arne Elofsson , Jan Stühmer , Frauke Gräter

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…

Proteins are dynamic molecular machines whose biological functions, spanning enzymatic catalysis, signal transduction, and structural adaptation, are intrinsically linked to their motions. Designing proteins with targeted dynamic…

Biomolecules · Quantitative Biology 2025-02-17 Bo Ni , Markus J. Buehler
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