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Large Language Models (LLMs) achieve strong performance across diverse tasks but face deployment challenges due to their massive size. Structured pruning offers acceleration benefits but leads to significant performance degradation. Recent…

Machine Learning · Computer Science 2026-02-03 Meng Li , Peisong Wang , Yuantian Shao , Qinghao Hu , Hongjian Fang , Yifan Zhang , Zhihui Wei , Jian Cheng

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

The alignment of biological sequences such as DNA, RNA, and proteins, is one of the basic tools that allow to detect evolutionary patterns, as well as functional/structural characterizations between homologous sequences in different…

Quantitative Methods · Quantitative Biology 2023-05-01 Louise Budzynski , Andrea Pagnani

A long-standing goal of machine-learning-based protein engineering is to accelerate the discovery of novel mutations that improve the function of a known protein. We introduce a sampling framework for evolving proteins in silico that…

Machine Learning · Computer Science 2023-04-10 Patrick Emami , Aidan Perreault , Jeffrey Law , David Biagioni , Peter C. St. John

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

Soft prompt tuning leverages continuous embeddings to capture task-specific information in large pre-trained language models (LLMs), achieving competitive performance in few-shot settings. However, soft prompts rely on high-dimensional,…

Computation and Language · Computer Science 2026-02-19 Zhenzhen Huang , Chaoning Zhang , Haoyu Bian , Songbo Zhang , Chi-lok Andy Tai , Jiaquan Zhang , Caiyan Qin , Jingjing Qu , Yalan Ye , Yang Yang , Heng Tao Shen

Evolutionary sparse learning (ESL) uses a supervised machine learning approach, Least Absolute Shrinkage and Selection Operator (LASSO), to build models explaining the relationship between a hypothesis and the variation across genomic…

Populations and Evolution · Quantitative Biology 2025-01-10 Maxwell Sanderford , Sudip Sharma , Glen Stecher , Jun Liu , Jieping Ye , Sudhir Kumar

Computational models that predict cellular phenotypic responses to chemical and genetic perturbations can accelerate drug discovery by prioritizing therapeutic hypotheses and reducing costly wet-lab iteration. However, extracting…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Pin-Jui Huang , Yu-Hsuan Liao , SooHeon Kim , NoSeong Park , JongBae Park , DongMyung Shin

This review is a tutorial for scientists interested in the problem of protein structure prediction, particularly those interested in using coarse-grained molecular dynamics models that are optimized using lessons learned from the energy…

Biomolecules · Quantitative Biology 2014-01-06 N. P. Schafer , B. L. Kim , W. Zheng , P. G. Wolynes

Protein fitness optimization is challenged by a vast combinatorial landscape where high-fitness variants are extremely sparse. Many current methods either underperform or require computationally expensive gradient-based sampling. We present…

Multiple Sequences Alignment (MSA) of biological sequences is a fundamental problem in computational biology due to its critical significance in wide ranging applications including haplotype reconstruction, sequence homology, phylogenetic…

Distributed, Parallel, and Cluster Computing · Computer Science 2009-05-13 Fahad Saeed , Ashfaq Khokhar

The Basic Local Alignment Search Tool (BLAST) is currently the most popular method for searching databases of biological sequences. BLAST compares sequences via similarity defined by a weighted edit distance, which results in it being…

Biomolecules · Quantitative Biology 2020-10-29 Amir Shanehsazzadeh , David Belanger , David Dohan

This paper is focused on multiuser load modulation arrays (MU-LMAs) which are attractive due to their low system complexity and reduced cost for millimeter wave (mmWave) multi-input multi-output (MIMO) systems. The existing precoding…

Signal Processing · Electrical Eng. & Systems 2023-11-09 Ercong Yu , Jinle Zhu , Qiang Li , Zilong Liu , Hongyang Chen , Shlomo Shamai , H. Vincent Poor

Lightweight inference is critical for biomolecular structure prediction and other downstream tasks, enabling efficient real-world deployment and inference-time scaling for large-scale applications. In this work, we address the challenge of…

Machine Learning · Computer Science 2025-07-17 Chengyue Gong , Xinshi Chen , Yuxuan Zhang , Yuxuan Song , Hao Zhou , Wenzhi Xiao

Large Language Models (LLMs) power numerous AI applications, yet updating their knowledge remains costly. Model editing provides a lightweight alternative through targeted parameter modifications, with meta-learning-based model editing…

Computation and Language · Computer Science 2026-01-30 Xiaopeng Li , Shasha Li , Xi Wang , Shezheng Song , Bin Ji , Shangwen Wang , Jun Ma , Xiaodong Liu , Mina Liu , Jie Yu

Background and Objective: Deep learning models have high computational needs and lack interpretability but are often the first choice for medical image classification tasks. This study addresses whether complex neural networks are essential…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Md Abdullah Al Kafi , Raka Moni , Sumit Kumar Banshal

Motivation: The high dimensionality of genomic data calls for the development of specific classification methodologies, especially to prevent over-optimistic predictions. This challenge can be tackled by compression and variable selection,…

Methodology · Statistics 2021-04-10 G. Durif , L. Modolo , J. Michaelsson , J. E. Mold , S. Lambert-Lacroix , F. Picard

We propose a sparsity-aware evolutionary (SAE) framework for model merging that involves iterative pruning-merging cycles to act as a novel mutation operator. We incorporate the sparsity constraints into the score function, which steers the…

Machine Learning · Computer Science 2026-02-10 Huan Zhang , Yanjian Zhang , Guillaume Wisniewski , Nadi Tomeh , Bang Liu

Protein language models (PLMs) have demonstrated remarkable capabilities in learning relationships between protein sequences and functions. However, finetuning these large models requires substantial computational resources, often with…

Machine Learning · Computer Science 2025-12-09 Shuo Zhang , Jian K. Liu

Classifying protein topology is essential for deciphering biological function, but progress is held back by the lack of large-scale benchmarks that avoid duplicates and by models that do not scale well. We introduce TEDBench, a large-scale,…

Machine Learning · Computer Science 2026-05-19 Dexiong Chen , Andrei Manolache , Mathias Niepert , Karsten Borgwardt
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