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Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Adapters provide an efficient and lightweight mechanism for adapting trained transformer models to a variety of different tasks. However, they have often been found to be outperformed by other adaptation mechanisms, including low-rank…

Computer Vision and Pattern Recognition · Computer Science 2024-06-12 Jan-Martin O. Steitz , Stefan Roth

In this paper, we introduce \texttt{IAFormer}, a novel Transformer-based architecture that efficiently integrates pairwise particle interactions through a dynamic sparse attention mechanism. \texttt{IAFormer} has two new mechanisms within…

High Energy Physics - Phenomenology · Physics 2026-04-21 W. Esmail , A. Hammad , M. Nojiri

Computationally predicting protein-protein interactions (PPIs) is challenging due to the lack of integrated, multimodal protein representations. DPEB is a curated collection of 22,043 human proteins that integrates four embedding types:…

Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the multimer structure prediction~(MSP) can be well handled in a…

Computational Engineering, Finance, and Science · Computer Science 2024-03-01 Ziqi Gao , Xiangguo Sun , Zijing Liu , Yu Li , Hong Cheng , Jia Li

Spiking Neural Networks have attracted significant attention in recent years due to their distinctive low-power characteristics. Meanwhile, Transformer models, known for their powerful self-attention mechanisms and parallel processing…

Neural and Evolutionary Computing · Computer Science 2024-12-19 Hangming Zhang , Alexander Sboev , Roman Rybka , Qiang Yu

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses…

Machine Learning · Computer Science 2022-05-30 Pascal Notin , Mafalda Dias , Jonathan Frazer , Javier Marchena-Hurtado , Aidan Gomez , Debora S. Marks , Yarin Gal

We propose an Auto-Parsing Network (APN) to discover and exploit the input data's hidden tree structures for improving the effectiveness of the Transformer-based vision-language systems. Specifically, we impose a Probabilistic Graphical…

Computer Vision and Pattern Recognition · Computer Science 2021-08-25 Xu Yang , Chongyang Gao , Hanwang Zhang , Jianfei Cai

Cancer detection and prognosis relies heavily on medical imaging, particularly CT and PET scans. Deep Neural Networks (DNNs) have shown promise in tumor segmentation by fusing information from these modalities. However, a critical…

Computer Vision and Pattern Recognition · Computer Science 2025-04-21 Numan Saeed , Shahad Hardan , Muhammad Ridzuan , Nada Saadi , Karthik Nandakumar , Mohammad Yaqub

Deep learning has recently achieved significant progress in trajectory forecasting. However, the scarcity of trajectory data inhibits the data-hungry deep-learning models from learning good representations. While mature representation…

Computer Vision and Pattern Recognition · Computer Science 2022-04-25 Chenfeng Xu , Tian Li , Chen Tang , Lingfeng Sun , Kurt Keutzer , Masayoshi Tomizuka , Alireza Fathi , Wei Zhan

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either…

Machine Learning · Computer Science 2026-04-28 Chupei Tang , Junxiao Kong , Moyu Tang , Di Wang , Jixiu Zhai , Ronghao Xie , Shangkun Sima , Tianchi Lu

Precisely modeling interactions and accurately predicting trajectories of surrounding vehicles are essential to the decision-making and path-planning of intelligent vehicles. This paper proposes a novel framework based on ensemble learning…

Robotics · Computer Science 2022-04-19 Zirui Li , Yunlong Lin , Cheng Gong , Xinwei Wang , Qi Liu , Jianwei Gong , Chao Lu

Learning based feature matching methods have been commonly studied in recent years. The core issue for learning feature matching is to how to learn (1) discriminative representations for feature points (or regions) within each intra-image…

Computer Vision and Pattern Recognition · Computer Science 2023-05-31 Bo Jiang , Shuxian Luo , Xiao Wang , Chuanfu Li , Jin Tang

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Aptamers are single stranded DNA, RNA or peptide sequences having the ability to bind a variety of specific targets (proteins, molecules as well as ions). Therefore, aptamer production and selection for therapeutic and diagnostic…

Biomolecules · Quantitative Biology 2018-01-04 R. Cataldo , E. Alfinito , L. Reggiani

We study the prediction of T-cell response for specific given peptides, which could, among other applications, be a crucial step towards the development of personalized cancer vaccines. It is a challenging task due to limited, heterogeneous…

Cell Behavior · Quantitative Biology 2025-02-28 Josua Stadelmaier , Brandon Malone , Ralf Eggeling

Sequential recommendation requires the recommender to capture the evolving behavior characteristics from logged user behavior data for accurate recommendations. However, user behavior sequences are viewed as a script with multiple ongoing…

Information Retrieval · Computer Science 2022-06-15 Zhiyu Yao , Xinyang Chen , Sinan Wang , Qinyan Dai , Yumeng Li , Tanchao Zhu , Mingsheng Long

In a point cloud sequence, 3D object tracking aims to predict the location and orientation of an object in the current search point cloud given a template point cloud. Motivated by the success of transformers, we propose Point Tracking…

Computer Vision and Pattern Recognition · Computer Science 2022-03-31 Changqing Zhou , Zhipeng Luo , Yueru Luo , Tianrui Liu , Liang Pan , Zhongang Cai , Haiyu Zhao , Shijian Lu

Computational prediction of the interaction of T cell receptors (TCRs) and their ligands is a grand challenge in immunology. Despite advances in high-throughput assays, specificity-labelled TCR data remains sparse. In other domains, the…

Identifying T-cell receptors (TCRs) that interact with antigenic peptides provides the technical basis for developing vaccines and immunotherapies. The emergent deep learning methods excel at learning antigen binding patterns from known…

Quantitative Methods · Quantitative Biology 2024-11-28 Jiangbin Zheng , Qianhui Xu , Ruichen Xia , Stan Z. Li