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Related papers: Understanding protein function with a multimodal r…

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Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing…

Machine Learning · Computer Science 2026-05-13 Viet Thanh Duy Nguyen , John K. Johnstone , Truong-Son Hy

Protein evolution through amino acid mutations is a cornerstone of life sciences. Recent advances in protein language models have shown rich evolutionary patterns, offering unprecedented potential for in-silicon directed evolution. However,…

Artificial Intelligence · Computer Science 2026-01-08 Yaodong Yang , Yang Wang , Jinpeng Li , Pei Guo , Da Han , Guangyong Chen , Pheng-Ann Heng

Proteins are the essential drivers of biological processes. At the molecular level, they are chains of amino acids that can be viewed through a linguistic lens where the twenty standard residues serve as an alphabet combining to form a…

Computation and Language · Computer Science 2025-12-15 Burak Suyunu , Özdeniz Dolu , Ibukunoluwa Abigail Olaosebikan , Hacer Karatas Bristow , Arzucan Özgür

Protein sequence design has seen significant advances through discrete diffusion and autoregressive approaches, yet the potential of continuous diffusion remains underexplored. Here, we present DiMA, a latent diffusion framework that…

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recently, publicly available material data repositories have grown…

Applying large language models (LLMs) to RTL code optimization for improved power, performance, and area (PPA) faces two key challenges: ensuring functional correctness of optimized designs despite LLM hallucination, and systematically…

Hardware Architecture · Computer Science 2026-03-23 Heng Ping , Peiyu Zhang , Zhenkun Wang , Shixuan Li , Anzhe Cheng , Wei Yang , Paul Bogdan , Shahin Nazarian

The pre-trained foundation models (PFMs) have become essential for facilitating large-scale multimodal learning. Researchers have effectively employed the ``pre-train, prompt, and predict'' paradigm through prompt learning to induce…

Computation and Language · Computer Science 2025-12-24 Xiang Chen , Yixin Ou , Quan Feng , Lei Li , Piji Li , Haibo Ye , Sheng-Jun Huang , Shuofei Qiao , Shumin Deng , Huajun Chen , Ningyu Zhang

Pre-trained vision-language models are able to interpret visual concepts and language semantics. Prompt learning, a method of constructing prompts for text encoders or image encoders, elicits the potentials of pre-trained models and readily…

Computer Vision and Pattern Recognition · Computer Science 2025-02-21 Zhenhan Huang , Tejaswini Pedapati , Pin-Yu Chen , Jianxi Gao

Predicting gene function from its DNA sequence is a fundamental challenge in biology. Many deep learning models have been proposed to embed DNA sequences and predict their enzymatic function, leveraging information in public databases…

While large language models (LLMs) are driving the rapid advancement of artificial intelligence, effectively and reliably training these large models remains one of the field's most significant challenges. To address this challenge, we…

Machine Learning · Computer Science 2025-12-12 Zeju Qiu , Simon Buchholz , Tim Z. Xiao , Maximilian Dax , Bernhard Schölkopf , Weiyang Liu

Parameter-Efficient Fine-Tuning (PEFT) is widely used for adapting Large Language Models (LLMs) for various tasks. Recently, there has been an increasing demand for fine-tuning a single LLM for multiple tasks because it requires overall…

Computation and Language · Computer Science 2026-05-15 Anjir Ahmed Chowdhury , Syed Zawad , Xiaolong Ma , Xu Dong , Feng Yan

Protein Language Models (PLMs) have emerged as performant and scalable tools for predicting the functional impact and clinical significance of protein-coding variants, but they still lag experimental accuracy. Here, we present a novel…

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery.…

Machine-learning models that learn from data to predict how protein sequence encodes function are emerging as a useful protein engineering tool. However, when using these models to suggest new protein designs, one must deal with the vast…

Quantitative Methods · Quantitative Biology 2021-07-07 Brian L. Hie , Kevin K. Yang

Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences,…

Machine Learning · Computer Science 2026-05-12 Yulin Zhang , He Cao , Zihao Jiang , Chenyi Zi , Zhipeng Zhou , Zijing Liu , Yu Li , Jia Li , Ziqi Gao

Large Language Models (LLMs) are increasingly adopted for complex scientific text generation tasks, yet they often suffer from limitations in accuracy, consistency, and hallucination control. This thesis introduces a Parameter-Efficient…

Computation and Language · Computer Science 2024-11-12 Daniil Sulimov

Recently, we have observed that Large Multi-modal Models (LMMs) are revolutionizing the way machines interact with the world, unlocking new possibilities across various multi-modal applications. To adapt LMMs for downstream tasks,…

Computation and Language · Computer Science 2024-11-04 Donghoon Kim , Gusang Lee , Kyuhong Shim , Byonghyo Shim

Energy-based language models (ELMs) parameterize an unnormalized distribution for natural sentences and are radically different from popular autoregressive language models (ALMs). As an important application, ELMs have been successfully…

Computation and Language · Computer Science 2023-05-30 Hong Liu , Zhaobiao Lv , Zhijian Ou , Wenbo Zhao , Qing Xiao

Statistical models for families of evolutionary related proteins have recently gained interest: in particular pairwise Potts models, as those inferred by the Direct-Coupling Analysis, have been able to extract information about the…

Biomolecules · Quantitative Biology 2019-09-25 Kai Shimagaki , Martin Weigt
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