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Deep learning models have become fundamental tools in drug design. In particular, large language models trained on biochemical sequences learn feature vectors that guide drug discovery through virtual screening. However, such models do not…

Biomolecules · Quantitative Biology 2025-03-28 Joseph D. Clark , Tanner J. Dean , Diwakar Shukla

Recent advances in molecular representation integrates molecular topological and visual modalities, opening new avenues for precise Molecular Relational Learning (MRL). Existing MRL methods focus on intra-domain modeling, and their inherent…

Machine Learning · Computer Science 2026-05-25 Peiliang Zhang , Jingling Yuan , Shiqing Wu , Mengqing Hu , Chao Che , Yongjun Zhu , Lin Li

Recently, molecular relational learning, whose goal is to predict the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. In this work, we propose CMRL that is…

Machine Learning · Computer Science 2023-07-24 Namkyeong Lee , Kanghoon Yoon , Gyoung S. Na , Sein Kim , Chanyoung Park

Analyzing interaction data provides an opportunity to learn about users, uncover their underlying goals, and create intelligent visualization systems. The first step for intelligent response in visualizations is to enable computers to infer…

Human-Computer Interaction · Computer Science 2020-10-19 Shayan Monadjemi , Roman Garnett , Alvitta Ottley

Robot learning is often difficult due to the expense of gathering data. The need for large amounts of data can, and should, be tackled with effective algorithms and leveraging expert information on robot dynamics. Bayesian reinforcement…

Robotics · Computer Science 2023-07-25 Hai Nguyen , Sammie Katt , Yuchen Xiao , Christopher Amato

Recent advances in high-throughput sequencing technologies have enabled the extraction of multiple features that depict patient samples at diverse and complementary molecular levels. The generation of such data has led to new challenges in…

Genomics · Quantitative Biology 2022-09-14 Hakim Benkirane , Yoann Pradat , Stefan Michiels , Paul-Henry Cournède

Deep multimodal learning has shown remarkable success by leveraging contrastive learning to capture explicit one-to-one relations across modalities. However, real-world data often exhibits shared relations beyond simple pairwise…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Raja Kumar , Raghav Singhal , Pranamya Kulkarni , Deval Mehta , Kshitij Jadhav

Modeling biological sequences such as DNA, RNA, and proteins is crucial for understanding complex processes like gene regulation and protein synthesis. However, most current models either focus on a single type or treat multiple types of…

Genomics · Quantitative Biology 2024-10-16 Weixi Xiang , Xueting Han , Xiujuan Chai , Jing Bai

Gene-gene and gene-environment interactions are widely believed to play significant roles in explaining the variability of complex traits. While substantial research exists in this area, a comprehensive statistical framework that addresses…

Methodology · Statistics 2026-02-18 Durba Bhattacharya , Sourabh Bhattacharya

While perception tasks such as visual object recognition and text understanding play an important role in human intelligence, the subsequent tasks that involve inference, reasoning and planning require an even higher level of intelligence.…

Machine Learning · Statistics 2016-09-06 Hao Wang , Dit-Yan Yeung

Rapid advancements in imaging techniques and analytical methods over the past decade have revolutionized our ability to comprehensively probe the biological world at multiple scales, pinpointing the type, quantity, location, and even…

Artificial Intelligence · Computer Science 2025-10-02 Shanghang Zhang , Gaole Dai , Tiejun Huang , Jianxu Chen

This paper describes a Bayesian method for combining an arbitrary mixture of observational and experimental data in order to learn causal Bayesian networks. Observational data are passively observed. Experimental data, such as that produced…

Artificial Intelligence · Computer Science 2013-01-30 Gregory F. Cooper , Changwon Yoo

This paper presents a deep relational metric learning (DRML) framework for image clustering and retrieval. Most existing deep metric learning methods learn an embedding space with a general objective of increasing interclass distances and…

Computer Vision and Pattern Recognition · Computer Science 2021-08-24 Wenzhao Zheng , Borui Zhang , Jiwen Lu , Jie Zhou

Causal discovery is crucial for understanding complex systems and informing decisions. While observational data can uncover causal relationships under certain assumptions, it often falls short, making active interventions necessary. Current…

Machine Learning · Computer Science 2024-06-18 Yuxuan Wang , Mingzhou Liu , Xinwei Sun , Wei Wang , Yizhou Wang

Visual-semantic embedding aims to find a shared latent space where related visual and textual instances are close to each other. Most current methods learn injective embedding functions that map an instance to a single point in the shared…

Computer Vision and Pattern Recognition · Computer Science 2019-07-18 Yale Song , Mohammad Soleymani

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret…

Living organisms rely on molecular networks, such as gene circuits and signaling pathways, for information processing and robust decision-making in crowded, noisy environments. Recent advances show that interacting biomolecules…

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Machine Learning · Computer Science 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

As a concrete application of multi-view learning, multi-view classification improves the traditional classification methods significantly by integrating various views optimally. Although most of the previous efforts have been demonstrated…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Jinglin Xu , Wenbin Li , Jiantao Shen , Xinwang Liu , Peicheng Zhou , Xiangsen Zhang , Xiwen Yao , Junwei Han

In networks of dynamic systems, one challenge is to identify the interconnection structure on the basis of measured signals. Inspired by a Bayesian approach in [1], in this paper, we explore a Bayesian model selection method for identifying…

Systems and Control · Computer Science 2019-03-18 Shengling Shi , Giulio Bottegal , Paul M. J. Van den Hof