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Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

Multi-modal biomedical time series (MBTS) data offers a holistic view of the physiological state, holding significant importance in various bio-medical applications. Owing to inherent noise and distribution gaps across different modalities,…

Machine Learning · Computer Science 2023-12-08 Hongbo Guo , Xinzi Xu , Hao Wu , Guoxing Wang

Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology and enzyme engineering. Recent breakthroughs in artificial intelligence have revolutionized…

Computation and Language · Computer Science 2025-07-28 Xiang Zhuang , Keyan Ding , Tianwen Lyu , Yinuo Jiang , Xiaotong Li , Zhuoyi Xiang , Zeyuan Wang , Ming Qin , Kehua Feng , Jike Wang , Qiang Zhang , Huajun Chen

Efforts toward a comprehensive description of behavior have indeed facilitated the development of representation-based approaches that utilize deep learning to capture behavioral information. As behavior complexity increases, the expressive…

Computational Engineering, Finance, and Science · Computer Science 2024-01-01 Cheng Wang , Hangyu Zhu , Yuhang Lin , Changjun Jiang

We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge,…

Artificial Intelligence · Computer Science 2024-12-05 Yaoyao Xu , Xinjian Zhao , Xiaozhuang Song , Benyou Wang , Tianshu Yu

In biological tasks, data is rarely plentiful as it is generated from hard-to-gather measurements. Therefore, pre-training foundation models on large quantities of available data and then transfer to low-data downstream tasks is a promising…

Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some…

Machine Learning · Computer Science 2020-10-19 Fan Bao , Chongxuan Li , Kun Xu , Hang Su , Jun Zhu , Bo Zhang

Understanding protein solubility is essential for their functional applications. Computational methods for predicting protein solubility are crucial for reducing experimental costs and enhancing the efficiency and success rates of protein…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Jia Zheng , Liang Hong , Bingxin Zhou

Proteins are macromolecules that mediate a significant fraction of the cellular processes that underlie life. An important task in bioengineering is designing proteins with specific 3D structures and chemical properties which enable…

Quantitative Methods · Quantitative Biology 2022-05-31 Namrata Anand , Tudor Achim

Structure-based drug discovery (SBDD) is a systematic scientific process that develops new drugs by leveraging the detailed physical structure of the target protein. Recent advancements in pre-trained models for biomolecules have…

Machine Learning · Computer Science 2025-03-07 Yiheng Zhu , Mingyang Li , Junlong Liu , Kun Fu , Jiansheng Wu , Qiuyi Li , Mingze Yin , Jieping Ye , Jian Wu , Zheng Wang

Learning 3D models of all animals on the Earth requires massively scaling up existing solutions. With this ultimate goal in mind, we develop 3D-Fauna, an approach that learns a pan-category deformable 3D animal model for more than 100…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Zizhang Li , Dor Litvak , Ruining Li , Yunzhi Zhang , Tomas Jakab , Christian Rupprecht , Shangzhe Wu , Andrea Vedaldi , Jiajun Wu

Recent advances in large language models (LLMs) and biomedical foundation models (BioFMs) have achieved strong results in biological text reasoning, molecular modeling, and single-cell analysis, yet they remain siloed in disjoint embedding…

Quantitative Methods · Quantitative Biology 2025-10-03 Ching-Huei Tsou , Michal Ozery-Flato , Ella Barkan , Diwakar Mahajan , Ben Shapira

Stochastic Process Model has many applications in analysis of longitudinal biodemographic data. Such data contain various physiological variables (sometimes known as covariates). It also can potentially contain genetic information available…

Populations and Evolution · Quantitative Biology 2016-05-31 Ilya Zhbannikov , Konstantin Arbeev , Anatoliy Yashin

Protein language models (pLMs) produce per-residue representations that capture evolutionary and structural information, yet their mean-pooled sequence embeddings are not explicitly trained to reflect functional, evolutionary or structural…

Machine Learning · Computer Science 2026-05-11 Dan Ofer , Oriel Perets , Michal Linial , Nadav Rappoport

Large-scale biobanks are being collected around the world in efforts to better understand human health and risk factors for disease. They often survey hundreds of thousands of individuals, combining questionnaires with clinical, genetic,…

Quantitative Methods · Quantitative Biology 2019-03-19 Qifan Yang , Gennady V. Roshchupkin , Wiro J. Niessen , Sarah E. Medland , Alyssa H. Zhu , Paul M. Thompson , Neda Jahanshad

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

Physiologically Based Pharmacokinetic (PBPK) modeling is a cornerstone of model-informed drug development (MIDD), providing a mechanistic framework to predict drug absorption, distribution, metabolism, and excretion (ADME). Despite its…

Machine Learning · Computer Science 2026-02-24 Shunqi Liu , Han Qiu , Tong Wang

In the genome biology research, regulatory genome modeling is an important topic for many regulatory downstream tasks, such as promoter classification, transaction factor binding sites prediction. The core problem is to model how regulatory…

Genomics · Quantitative Biology 2021-11-04 Shentong Mo , Xi Fu , Chenyang Hong , Yizhen Chen , Yuxuan Zheng , Xiangru Tang , Zhiqiang Shen , Eric P Xing , Yanyan Lan

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Multimodal single-cell technologies enable the simultaneous collection of diverse data types from individual cells, enhancing our understanding of cellular states. However, the integration of these datatypes and modeling the…

Machine Learning · Computer Science 2023-11-22 Bhavya Mehta , Nirmit Deliwala , Madhav Chandane