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The Manta Ray Foraging Optimization algorithm (MRFO) has proven to be a powerful heuristic strategy in the optimal solution of a large number of engineering problems. In this paper, an improvement of MRFO with Levy Flight is suggested for…

Neural and Evolutionary Computing · Computer Science 2026-05-19 Adrian Rubio-Solis

Machine learning (ML)-guided directed evolution is a new paradigm for biological design that enables optimization of complex functions. ML methods use data to predict how sequence maps to function without requiring a detailed model of the…

Biomolecules · Quantitative Biology 2019-04-23 Kevin K. Yang , Zachary Wu , Frances H. Arnold

Predicting the structure of interacting chains is crucial for understanding biological systems and developing new drugs. Large-scale pre-trained Protein Language Models (PLMs), such as ESM2, have shown impressive abilities in extracting…

Biomolecules · Quantitative Biology 2023-12-05 Shuxian Zou , Hui Li , Shentong Mo , Xingyi Cheng , Eric Xing , Le Song

The adaptation of large-scale vision-language models (VLMs) to downstream tasks with limited labeled data remains a significant challenge. While parameter-efficient prompt learning methods offer a promising path, they often suffer from…

Computer Vision and Pattern Recognition · Computer Science 2026-03-11 Enming Zhang , Jiayang Li , Yanru Wu , Zhenyu Liu , Yang Li

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

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Designing novel functional proteins remains a slow and expensive process due to a variety of protein engineering challenges; in particular, the number of protein variants that can be experimentally tested in a given assay pales in…

Quantitative Methods · Quantitative Biology 2023-05-29 M. Zaki Jawaid , Robin W. Yeo , Aayushma Gautam , T. Blair Gainous , Daniel O. Hart , Timothy P. Daley

Vision-and-Language Pre-training (VLP) improves model performance for downstream tasks that require image and text inputs. Current VLP approaches differ on (i) model architecture (especially image embedders), (ii) loss functions, and (iii)…

Computer Vision and Pattern Recognition · Computer Science 2021-09-28 Tarik Arici , Mehmet Saygin Seyfioglu , Tal Neiman , Yi Xu , Son Train , Trishul Chilimbi , Belinda Zeng , Ismail Tutar

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

While protein language models (pLMs) have transformed biological research, the scaling laws governing their improvement remain underexplored. By adapting methodologies from NLP scaling laws, we investigated the optimal ratio between model…

Biomolecules · Quantitative Biology 2024-06-27 Yaiza Serrano , Álvaro Ciudad , Alexis Molina

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma

Designing effective control policies for autonomous systems remains a fundamental challenge, traditionally addressed through reinforcement learning or manual engineering. While reinforcement learning has achieved remarkable success, it…

Artificial Intelligence · Computer Science 2026-01-13 Ping Guo , Chao Li , Yinglan Feng , Chaoning Zhang

Large Language Models (LLMs) have demonstrated great potential in automating the generation of Verilog hardware description language code for hardware design. This automation is critical to reducing human effort in the complex and…

Hardware Architecture · Computer Science 2025-08-20 Ping Guo , Yiting Wang , Wanghao Ye , Yexiao He , Ziyao Wang , Xiaopeng Dai , Ang Li , Qingfu Zhang

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Accurate protein structure prediction from amino-acid sequences is critical to better understanding the protein function. Recent advances in this area largely benefit from more precise inter-residue distance and orientation predictions,…

Machine Learning · Computer Science 2021-06-01 Jiaxiang Wu , Shitong Luo , Tao Shen , Haidong Lan , Sheng Wang , Junzhou Huang

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

The prediction of amyloidogenicity in peptides and proteins remains a focal point of ongoing bioinformatics. The crucial step in this field is to apply advanced computational methodologies. Many recent approaches to predicting…

Machine Learning · Computer Science 2025-08-19 Zohra Yagoub , Hafida Bouziane

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

This paper presents an evolutionary framework for the training of large language models(LLM). The models are divided into several experts(sub-networks), which have the same structure but different parameter values. Only one expert is…

Machine Learning · Computer Science 2025-09-30 Yingshi Chen

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan