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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

Motivation: Protein embedding, which represents proteins as numerical vectors, is a crucial step in various learning-based protein annotation/classification problems, including gene ontology prediction, protein-protein interaction…

Genomics · Quantitative Biology 2024-05-21 Jiayu Shang , Cheng Peng , Yongxin Ji , Jiaojiao Guan , Dehan Cai , Xubo Tang , Yanni Sun

Protein representation learning aims to learn informative protein embeddings capable of addressing crucial biological questions, such as protein function prediction. Although sequence-based transformer models have shown promising results by…

Quantitative Methods · Quantitative Biology 2024-10-22 Michail Chatzianastasis , Yang Zhang , George Dasoulas , Michalis Vazirgiannis

Disentangled Representation Learning (DRL) aims to learn a model capable of identifying and disentangling the underlying factors hidden in the observable data in representation form. The process of separating underlying factors of variation…

Machine Learning · Computer Science 2024-06-28 Xin Wang , Hong Chen , Si'ao Tang , Zihao Wu , Wenwu Zhu

Multimodal representation learning seeks to create a unified representation space by integrating diverse data modalities to improve multimodal understanding. Traditional methods often depend on pairwise contrastive learning, which relies on…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 Xiaohao Liu , Xiaobo Xia , See-Kiong Ng , Tat-Seng Chua

Perceiving the environment via cameras is crucial for Reinforcement Learning (RL) in robotics. While images are a convenient form of representation, they often complicate extracting important geometric details, especially with varying…

Machine Learning · Computer Science 2024-10-25 Balázs Gyenes , Nikolai Franke , Philipp Becker , Gerhard Neumann

The current trend in developing machine learning models for reading comprehension and logical reasoning tasks is focused on improving the models' abilities to understand and utilize logical rules. This work focuses on providing a novel loss…

Computation and Language · Computer Science 2023-12-27 Jeffrey Lu , Ivan Rodriguez

Deep neural networks (DNNs) have been successfully applied to a wide variety of acoustic modeling tasks in recent years. These include the applications of DNNs either in a discriminative feature extraction or in a hybrid acoustic modeling…

Machine Learning · Statistics 2016-06-21 Vikrant Singh Tomar , Richard C. Rose

Deep metric learning (DML) involves training a network to learn a semantically meaningful representation space. Many current approaches mine n-tuples of examples and model interactions within each tuplets. We present a novel, compositional…

Computer Vision and Pattern Recognition · Computer Science 2025-04-22 Shubhang Bhatnagar , Narendra Ahuja

This paper proposes a new architecture - Attentive Tensor Product Learning (ATPL) - to represent grammatical structures in deep learning models. ATPL is a new architecture to bridge this gap by exploiting Tensor Product Representations…

Computation and Language · Computer Science 2018-11-30 Qiuyuan Huang , Li Deng , Dapeng Wu , Chang Liu , Xiaodong He

Network representation learning (NRL) is an effective graph analytics technique and promotes users to deeply understand the hidden characteristics of graph data. It has been successfully applied in many real-world tasks related to network…

Social and Information Networks · Computer Science 2021-03-09 Ke Sun , Lei Wang , Bo Xu , Wenhong Zhao , Shyh Wei Teng , Feng Xia

Effectively representing medical concepts and patients is important for healthcare analytical applications. Representing medical concepts for healthcare analytical tasks requires incorporating medical domain knowledge and prior information…

Machine Learning · Computer Science 2023-05-02 Shaodong Wang , Qing Li , Wenli Zhang

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Non-Euclidean data is frequently encountered across different fields, yet there is limited literature that addresses the fundamental challenge of training neural networks with manifold representations as outputs. We introduce the trick…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Tongtong Zhang , Xian Wei , Yuanxiang Li

The identification of DNA-binding proteins (DBPs) is essential due to their significant impact on various biological activities. Understanding the mechanisms underlying protein-DNA interactions is essential for elucidating various life…

Machine Learning · Computer Science 2026-01-27 A. Quadir , M. Sajid , M. Tanveer

Neural-based multi-task learning (MTL) has gained significant improvement, and it has been successfully applied to recommendation system (RS). Recent deep MTL methods for RS (e.g. MMoE, PLE) focus on designing soft gating-based…

Artificial Intelligence · Computer Science 2023-08-21 Qi Liu , Zhilong Zhou , Gangwei Jiang , Tiezheng Ge , Defu Lian

Recognizing wild faces is extremely hard as they appear with all kinds of variations. Traditional methods either train with specifically annotated variation data from target domains, or by introducing unlabeled target variation data to…

Computer Vision and Pattern Recognition · Computer Science 2020-02-28 Yichun Shi , Xiang Yu , Kihyuk Sohn , Manmohan Chandraker , Anil K. Jain

Experimental validation of chemical processes is slow and costly, limiting exploration in materials discovery. Machine learning can prioritize promising candidates, but existing data in patents and literature is heterogeneous and difficult…

Chemical Physics · Physics 2025-12-09 Mikhail Tsitsvero , Atsuyuki Nakao , Hisaki Ikebata

Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery. Current approaches to develop molecules for a target protein are intuition-driven, hampered by slow iterative…

Machine Learning · Computer Science 2022-05-24 Andrew D. McNaughton , Mridula S. Bontha , Carter R. Knutson , Jenna A. Pope , Neeraj Kumar