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Motivation: In the last few years a growing interest in biology has been shifting towards the problem of optimal information extraction from the huge amount of data generated via large scale and high-throughput techniques. One of the most…

Quantitative Methods · Quantitative Biology 2007-05-23 M. Leone , A. Pagnani

Accurately modeling the protein fitness landscapes holds great importance for protein engineering. Recently, due to their capacity and representation ability, pre-trained protein language models have achieved state-of-the-art performance in…

Biomolecules · Quantitative Biology 2024-02-06 Ziyi Zhou , Liang Zhang , Yuanxi Yu , Mingchen Li , Liang Hong , Pan Tan

Named entity recognition (NER) is a widely studied task in natural language processing. Recently, a growing number of studies have focused on the nested NER. The span-based methods, considering the entity recognition as a span…

Computation and Language · Computer Science 2021-06-22 Zeqi Tan , Yongliang Shen , Shuai Zhang , Weiming Lu , Yueting Zhuang

The integration of deep learning approaches in biomedical research has been transformative, enabling breakthroughs in various applications. Despite these strides, its application in protein inference is impeded by the scarcity of…

Machine Learning · Computer Science 2026-05-07 Zheng Ma , Jiazhen Chen , Lei Xin , Ali Ghodsi

We introduce the SEER (Span-based Emotion Evidence Retrieval) Benchmark to test Large Language Models' (LLMs) ability to identify the specific spans of text that express emotion. Unlike traditional emotion recognition tasks that assign a…

Computation and Language · Computer Science 2025-10-29 Aneesha Sampath , Oya Aran , Emily Mower Provost

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping inputs to correct outputs are extremely difficult to…

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

Autoregressive models have transformed protein engineering by enabling the generation of novel protein sequences beyond those found in nature. However, their sequential inference introduces significant latency, limiting their utility in…

Machine Learning · Computer Science 2025-09-29 Thomas Walton , Darin Tsui , Aryan Musharaf , Amirali Aghazadeh

Predicting protein complex structures is essential for protein function analysis, protein design, and drug discovery. While AI methods like AlphaFold can predict accurate structural models for many protein complexes, reliably estimating the…

Biomolecules · Quantitative Biology 2025-05-30 Pawan Neupane , Jian Liu , Jianlin Cheng

Experience replay is widely used in deep reinforcement learning algorithms and allows agents to remember and learn from experiences from the past. In an effort to learn more efficiently, researchers proposed prioritized experience replay…

Machine Learning · Computer Science 2020-02-20 Marc Brittain , Josh Bertram , Xuxi Yang , Peng Wei

We consider representation learning for proteins with 3D structures. We build 3D graphs based on protein structures and develop graph networks to learn their representations. Depending on the levels of details that we wish to capture,…

Machine Learning · Computer Science 2023-03-07 Limei Wang , Haoran Liu , Yi Liu , Jerry Kurtin , Shuiwang Ji

Reliable and robust evaluation methods are a necessary first step towards developing machine learning models that are themselves robust and reliable. Unfortunately, current evaluation protocols typically used to assess classifiers fail to…

Machine Learning · Computer Science 2025-05-26 Michael W. Spratling

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

Protein contacts provide key information for the understanding of protein structure and function, and therefore contact prediction from sequences is an important problem. Recent research shows that some correctly predicted long-range…

Quantitative Methods · Quantitative Biology 2020-09-02 Siqi Sun

The structure of a protein is crucial in determining its functionality, and is much more conserved than sequence during evolution. A key task in structural biology is to compare protein structures in order to determine evolutionary…

Methodology · Statistics 2019-11-06 Christopher Fallaize , Peter Green , Kanti Mardia , Stuart Barber

Peptide sequencing-the process of identifying amino acid sequences from mass spectrometry data-is a fundamental task in proteomics. Non-Autoregressive Transformers (NATs) have proven highly effective for this task, outperforming traditional…

Biomolecules · Quantitative Biology 2025-06-17 Xiang Zhang , Jiaqi Wei , Zijie Qiu , Sheng Xu , Nanqing Dong , Zhiqiang Gao , Siqi Sun

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively…

Quantitative Methods · Quantitative Biology 2024-09-04 Shania Mitra , Lei Huang , Manolis Kellis

Directed evolution of proteins has been the most effective method for protein engineering. However, a new paradigm is emerging, fusing the library generation and screening approaches of traditional directed evolution with computation…

Biomolecules · Quantitative Biology 2023-05-29 Kadina E. Johnston , Clara Fannjiang , Bruce J. Wittmann , Brian L. Hie , Kevin K. Yang , Zachary Wu

Identifying interactions between proteins is important to understand underlying biological processes. Extracting a protein-protein interaction (PPI) from the raw text is often very difficult. Previous supervised learning methods have used…

Quantitative Methods · Quantitative Biology 2018-08-10 Mahtab Ahmed , Jumayel Islam , Muhammad Rifayat Samee , Robert E. Mercer

Despite the substantial success of Information Retrieval (IR) in various NLP tasks, most IR systems predominantly handle queries and corpora in natural language, neglecting the domain of code retrieval. Code retrieval is critically…

Information Retrieval · Computer Science 2025-06-09 Xiangyang Li , Kuicai Dong , Yi Quan Lee , Wei Xia , Hao Zhang , Xinyi Dai , Yasheng Wang , Ruiming Tang