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Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

Machine Learning · Computer Science 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

We propose PESA, a novel approach combining Particle Swarm Optimisation (PSO), Evolution Strategy (ES), and Simulated Annealing (SA) in a hybrid Algorithm, inspired from reinforcement learning. PESA hybridizes the three algorithms by…

Neural and Evolutionary Computing · Computer Science 2020-09-21 Majdi I. Radaideh , Koroush Shirvan

Evolutionary modeling applications are the best way to provide full information to support in-depth understanding of evaluation of organisms. These applications mainly depend on identifying the evolutionary history of existing organisms and…

Computational Engineering, Finance, and Science · Computer Science 2018-06-01 Sara Shehab , Sameh Abdulah , Arabi E. Keshk

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

Quantitative Methods · Quantitative Biology 2018-07-23 X. Han , X. Wang , K. Zhou

We propose a new ensemble prediction method, Random Subset Averaging (RSA), tailored for settings with many covariates, particularly in the presence of strong correlations. RSA constructs candidate models via binomial random subset strategy…

Methodology · Statistics 2025-12-30 Wenhao Cui , Jie Hu

We explore a framework for protein sequence representation learning that decomposes the task between manifold learning and distributional modelling. Specifically we present a Latent Space Diffusion architecture which combines a protein…

Machine Learning · Computer Science 2025-03-25 Eoin Quinn , Ghassene Jebali , Maxime Seince , Oliver Bent

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…

Advances in bio-technology have made available massive amounts of functional, structural and genomic data for many biological sequences. This increased availability of heterogeneous biological data has resulted in biological applications…

Computational Engineering, Finance, and Science · Computer Science 2013-02-26 Srikrishnan Divakaran , Arpit Mithal , Namit Jain

Large language models record impressive performance on many natural language processing tasks. However, their knowledge capacity is limited to the pretraining corpus. Retrieval augmentation offers an effective solution by retrieving context…

Computation and Language · Computer Science 2023-11-22 Sai Munikoti , Anurag Acharya , Sridevi Wagle , Sameera Horawalavithana

With the development of next generation sequencing techniques, it is fast and cheap to determine protein sequences but relatively slow and expensive to extract useful information from protein sequences because of limitations of traditional…

Quantitative Methods · Quantitative Biology 2017-10-20 Renzhi Cao , Colton Freitas , Leong Chan , Miao Sun , Haiqing Jiang , Zhangxin Chen

Self-supervised learning (SSL) has shown remarkable success in skeleton-based action recognition by leveraging data augmentations to learn meaningful representations. However, existing SSL methods rely on data augmentations that…

Computer Vision and Pattern Recognition · Computer Science 2026-02-09 Aman Anand , Amir Eskandari , Elyas Rahsno , Farhana Zulkernine

High throughput sequencing techniques have highly impactedon modern biology, widening the gap between sequenced andannotated data. Automatic annotation tools are thereforeof the foremost importance to guide biologists' experiments. However,…

Machine Learning · Statistics 2016-10-02 Luca Masera

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

The Automated Protein Structure Analysis (APSA) method, which describes the protein backbone as a smooth line in 3-dimensional space and characterizes it by curvature kappa and torsion tau as a function of arc length s, was applied on 77…

Quantitative Methods · Quantitative Biology 2008-11-24 S. Ranganathan , D. Izotov , E. Kraka , D. Cremer

Deep learning, particularly with the advancement of Large Language Models, has transformed biomolecular modeling, with protein language models such as ESM inspiring emerging RNA language models such as RiNALMo. Recent work has begun…

Biomolecules · Quantitative Biology 2026-05-18 Taehan Kim , Sangdae Nam

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We…

Quantitative Methods · Quantitative Biology 2024-10-24 Yizheng Wang , Yixiao Zhai , Yijie Ding , Quan Zou

RNA, whose functionality is largely determined by its structure, plays an important role in many biological activities. The prediction of pairwise structural proximity between each nucleotide of an RNA sequence can characterize the…

Quantitative Methods · Quantitative Biology 2024-01-22 Yiren Jian , Chongyang Gao , Chen Zeng , Yunjie Zhao , Soroush Vosoughi

Accurately annotating and controlling protein function from sequence data remains a major challenge, particularly within homologous families where annotated sequences are scarce and structural variation is minimal. We present a two-stage…

Quantitative Methods · Quantitative Biology 2025-07-22 Lorenzo Rosset , Martin Weigt , Francesco Zamponi

Despite the impressive capabilities of large language models across various tasks, their continued scaling is severely hampered not only by data scarcity but also by the performance degradation associated with excessive data repetition…

Computation and Language · Computer Science 2025-05-20 Xintong Hao , Ruijie Zhu , Ge Zhang , Ke Shen , Chenggang Li

In Large Language Model (LLM) development, Reinforcement Learning from Human Feedback (RLHF) is crucial for aligning models with human values and preferences. RLHF traditionally relies on the Kullback-Leibler (KL) divergence between the…

Machine Learning · Computer Science 2024-11-05 Atoosa Chegini , Hamid Kazemi , Iman Mirzadeh , Dong Yin , Maxwell Horton , Moin Nabi , Mehrdad Farajtabar , Keivan Alizadeh
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