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The Genomic Foundation Model (GFM) paradigm is expected to facilitate the extraction of generalizable representations from massive genomic data, thereby enabling their application across a spectrum of downstream applications. Despite…

Genomics · Quantitative Biology 2024-06-06 Zicheng Liu , Jiahui Li , Siyuan Li , Zelin Zang , Cheng Tan , Yufei Huang , Yajing Bai , Stan Z. Li

Motif finding is an important step for the detection of rare events occurring in a set of DNA or protein sequences. Extraction of information about these rare events can lead to new biological discoveries. Motifs are some important patterns…

Data Structures and Algorithms · Computer Science 2024-03-04 Saurav Dhar , Amlan Saha , Dhiman Goswami , Md. Abul Kashem Mia

Protein structure prediction is one of the most important problems in computational biology. The most successful computational approach, also called template-based modeling, identifies templates with solved crystal structures for the query…

Biomolecules · Quantitative Biology 2013-06-20 Jian Peng

Survival analysis plays a vital role in making clinical decisions. However, the models currently in use are often difficult to interpret, which reduces their usefulness in clinical settings. Prototype learning presents a potential solution,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-08 Shuo Jiang , Zhuwen Chen , Liaoman Xu , Yanming Zhu , Changmiao Wang , Jiong Zhang , Feiwei Qin , Yifei Chen , Zhu Zhu

Molecular property prediction integrates quantum chemistry, cheminformatics, and deep learning to connect molecular structure with physicochemical and biological behavior. This survey traces four complementary paradigms, including Quantum,…

Learning sophisticated feature interactions behind user behaviors is critical in maximizing CTR for recommender systems. Despite great progress, existing methods seem to have a strong bias towards low- or high-order interactions, or require…

Information Retrieval · Computer Science 2017-03-14 Huifeng Guo , Ruiming Tang , Yunming Ye , Zhenguo Li , Xiuqiang He

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

Large Language Models (LLMs) have achieved impressive performance across diverse tasks but continue to struggle with learning transitive relations, a cornerstone for complex planning. To address this issue, we investigate the Multi-Token…

Artificial Intelligence · Computer Science 2025-09-30 Qimin Zhong , Hao Liao , Siwei Wang , Mingyang Zhou , Xiaoqun Wu , Rui Mao , Wei Chen

Post-translational modifications (PTMs) serve as a dynamic chemical language regulating protein function, yet current proteomic methods remain blind to a vast portion of the modified proteome. Standard database search algorithms suffer from…

Quantitative Methods · Quantitative Biology 2025-12-16 Yuhan Chen , Shang Qu , Zhiqiang Gao , Yuejin Yang , Xiang Zhang , Sheng Xu , Xinjie Mao , Liujia Qian , Jiaqi Wei , Zijie Qiu , Chenyu You , Lei Bai , Ning Ding , Tiannan Guo , Bowen Zhou , Siqi Sun

Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design. While existing geometric features and pretrained representations have…

Machine Learning · Computer Science 2024-03-08 Bowen Gao , Yinjun Jia , Yuanle Mo , Yuyan Ni , Weiying Ma , Zhiming Ma , Yanyan Lan

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

In time-series domains where both predictive performance and interpretability are essential, deep neural networks achieve strong results but provide limited insight into how their predictions are made. Projection-based prototype networks…

Machine Learning · Computer Science 2026-05-11 Steven Song , Sahil Sethi , Brett Beaulieu-Jones , Robert L. Grossman

Liquid chromatography with tandem mass spectrometry (LC-MS/MS) based proteomics is a well-established research field with major applications such as identification of disease biomarkers, drug discovery, drug design and development. In…

Quantitative Methods · Quantitative Biology 2018-01-08 Fatema Tuz Zohora , Ngoc Hieu Tran , Xianglilan Zhang , Lei Xin , Baozhen Shan , Ming Li

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat…

Machine Learning · Computer Science 2026-05-26 Gal Pomerants , Yaniv Nikankin , Anja Reusch , Tomer Tsaban , Ora Schueler-Furman , Yonatan Belinkov

We present TerraBind, a foundation model for protein-ligand structure and binding affinity prediction that achieves 26-fold faster inference than state-of-the-art methods while improving affinity prediction accuracy by $\sim$20\%. Current…

In this paper, we move towards combining large parametric models with non-parametric prototypical networks. We propose prototypical fine-tuning, a novel prototypical framework for fine-tuning pretrained language models (LM), which…

Computation and Language · Computer Science 2022-11-28 Yiqiao Jin , Xiting Wang , Yaru Hao , Yizhou Sun , Xing Xie

Recently, prompt tuning \cite{lester2021power} has gradually become a new paradigm for NLP, which only depends on the representation of the words by freezing the parameters of pre-trained language models (PLMs) to obtain remarkable…

Computation and Language · Computer Science 2022-01-31 Pan He , Yuxi Chen , Yan Wang , Yanru Zhang

Object detection, segmentation and classification are three common tasks in medical image analysis. Multi-task deep learning (MTL) tackles these three tasks jointly, which provides several advantages saving computing time and resources and…

Computer Vision and Pattern Recognition · Computer Science 2019-06-06 Fei Gao , Hyunsoo Yoon , Teresa Wu , Xianghua Chu

Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere…

Biomolecules · Quantitative Biology 2024-07-24 Xiaotong Xu , Alexandre M. J. J. Bonvin

Big Data works perfectly along with Deep learning to extract knowledge from a huge amount of data. However, this processing could take a lot of training time. Genomics is a Big Data science with high dimensionality. It relies on deep…

Neural and Evolutionary Computing · Computer Science 2024-05-28 Tasnim Assali , Zayneb Trabelsi Ayoub , Sofiane Ouni