English
Related papers

Related papers: Multimodal Fusion with Relational Learning for Mol…

200 papers

Due to its complexity, graph learning-based multi-modal integration and classification is one of the most challenging obstacles for disease prediction. To effectively offset the negative impact between modalities in the process of…

Machine Learning · Computer Science 2025-02-14 Jin Liu , Junbin Mao , Hanhe Lin , Hulin Kuang , Shirui Pan , Xusheng Wu , Shan Xie , Fei Liu , Yi Pan

Plant classification is vital for ecological conservation and agricultural productivity, enhancing our understanding of plant growth dynamics and aiding species preservation. The advent of deep learning (DL) techniques has revolutionized…

Computer Vision and Pattern Recognition · Computer Science 2025-08-06 Alfreds Lapkovskis , Natalia Nefedova , Ali Beikmohammadi

Deep learning has been a prevalence in computational chemistry and widely implemented in molecule property predictions. Recently, self-supervised learning (SSL), especially contrastive learning (CL), gathers growing attention for the…

Machine Learning · Computer Science 2022-06-01 Yuyang Wang , Rishikesh Magar , Chen Liang , Amir Barati Farimani

Drug target interaction (DTI) prediction is a cornerstone of computational drug discovery, enabling rational design, repurposing, and mechanistic insights. While deep learning has advanced DTI modeling, existing approaches primarily rely on…

Machine Learning · Computer Science 2025-11-05 Feng Jiang , Amina Mollaysa , Hehuan Ma , Tommaso Mansi , Junzhou Huang , Mangal Prakash , Rui Liao

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

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,…

Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural networks applied to computed molecular…

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

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

Multimodal learning typically relies on the assumption that all modalities are fully available during both the training and inference phases. However, in real-world scenarios, consistently acquiring complete multimodal data presents…

Computer Vision and Pattern Recognition · Computer Science 2024-07-18 Donggeun Kim , Taesup Kim

Multimodal Contrastive Learning (MCL) advances in aligning different modalities and generating multimodal representations in a joint space. By leveraging contrastive learning across diverse modalities, large-scale multimodal data enhances…

Machine Learning · Computer Science 2025-09-23 Xiaohao Liu , Xiaobo Xia , See-Kiong Ng , Tat-Seng Chua

The inherent challenge of multimodal fusion is to precisely capture the cross-modal correlation and flexibly conduct cross-modal interaction. To fully release the value of each modality and mitigate the influence of low-quality multimodal…

Machine Learning · Computer Science 2023-06-07 Qingyang Zhang , Haitao Wu , Changqing Zhang , Qinghua Hu , Huazhu Fu , Joey Tianyi Zhou , Xi Peng

With the rapid advancement of Multimodal Large Language Models (MLLMs), an increasing number of researchers are exploring their application in recommendation systems. However, the high latency associated with large models presents a…

Information Retrieval · Computer Science 2025-04-29 Junjie Zhou

The effectiveness of a model is heavily reliant on the quality of the fusion representation of multiple modalities in multimodal sentiment analysis. Moreover, each modality is extracted from raw input and integrated with the rest to…

Machine Learning · Computer Science 2023-12-06 Cong-Duy Nguyen , Thong Nguyen , Duc Anh Vu , Luu Anh Tuan

Multimodal emotion recognition aims to recognize emotions for each utterance of multiple modalities, which has received increasing attention for its application in human-machine interaction. Current graph-based methods fail to…

Computation and Language · Computer Science 2023-11-21 Dongyuan Li , Yusong Wang , Kotaro Funakoshi , Manabu Okumura

Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations for polymer property evaluation, are both expensive and…

Materials Science · Physics 2024-10-08 Cong Shen , Yipeng Zhang , Fei Han , Kelin Xia

Multimodal federated learning (MFL) aims to enrich model training in FL settings where clients are collecting measurements across multiple modalities. However, key challenges to MFL remain unaddressed, particularly in heterogeneous network…

Machine Learning · Computer Science 2026-03-12 Liangqi Yuan , Dong-Jun Han , Su Wang , Devesh Upadhyay , Christopher G. Brinton

Multimodal Federated Learning (MFL) enables clients with heterogeneous data modalities to collaboratively train models without sharing raw data, offering a privacy-preserving framework that leverages complementary cross-modal information.…

Machine Learning · Computer Science 2026-03-06 Min Tan , Junchao Ma , Yinfu Feng , Jiajun Ding , Wenwen Pan , Tingting Han , Qian Zheng , Zhenzhong Kuang , Zhou Yu

Molecular property prediction is a critical task in computational drug discovery. While recent advances in Graph Neural Networks (GNNs) and Transformers have shown to be effective and promising, they face the following limitations:…

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers