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Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In…

Soft Condensed Matter · Physics 2021-05-26 Marco Oestereich , Jürgen Gauss , Gregor Diezemann

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep…

Molecular Networks · Quantitative Biology 2024-01-10 Zeyu Wang , Tianyi Jiang , Jinhuan Wang , Qi Xuan

Robust multimodal visual analytics remains challenging when heterogeneous modalities provide complementary but input-dependent evidence for decision-making.Existing multimodal learning methods mainly rely on fixed fusion modules or…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Tianyi Liu , Yiming Li , Wenqian Wang , Jiaojiao Wang , Chen Cai , Yi Wang , Kim-Hui Yap

Mixture-of-Experts (MoE) models are designed to enhance the efficiency of large language models (LLMs) without proportionally increasing the computational demands. However, their deployment on edge devices still faces significant challenges…

Machine Learning · Computer Science 2024-08-21 Shuzhang Zhong , Ling Liang , Yuan Wang , Runsheng Wang , Ru Huang , Meng Li

Multi-modal (vision-language) models, such as CLIP, are replacing traditional supervised pre-training models (e.g., ImageNet-based pre-training) as the new generation of visual foundation models. These models with robust and aligned…

Computer Vision and Pattern Recognition · Computer Science 2024-01-05 Fan Liu , Tianshu Zhang , Wenwen Dai , Wenwen Cai , Xiaocong Zhou , Delong Chen

In this paper, we propose Mixture of Layer-Wise Tokens (MoLT), a parameter- and memory-efficient adaptation framework for audio-visual learning. The key idea of MoLT is to replace conventional, computationally heavy sequential adaptation at…

Sound · Computer Science 2025-12-02 Kyeongha Rho , Hyeongkeun Lee , Jae Won Cho , Joon Son Chung

We introduce ProtoPathway, an interpretable-by-design multimodal framework for cancer survival prediction that unifies whole slide imaging and transcriptomics through encoders producing biologically grounded representations on both sides of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Amaya Gallagher-Syed , Costantino Pitzalis , Myles J. Lewis , Michael R. Barnes , Gregory Slabaugh

Accurate prediction of the physicochemical properties of molecular mixtures using graph neural networks remains a significant challenge, as it requires simultaneous embedding of intramolecular interactions while accounting for mixture…

Chemical Physics · Physics 2026-03-04 Jinming Fan , Chao Qian , Wilhelm T. S. Huck , William E. Robinson , Shaodong Zhou

Multimodal fusion is considered a key step in multimodal tasks such as sentiment analysis, emotion detection, question answering, and others. Most of the recent work on multimodal fusion does not guarantee the fidelity of the multimodal…

Machine Learning · Computer Science 2019-08-19 Navonil Majumder , Soujanya Poria , Gangeshwar Krishnamurthy , Niyati Chhaya , Rada Mihalcea , Alexander Gelbukh

Healthcare applications are inherently multimodal, benefiting greatly from the integration of diverse data sources. However, the modalities available in clinical settings can vary across different locations and patients. A key area that…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Mohammed Amer , Mohamed A. Suliman , Tu Bui , Nuria Garcia , Serban Georgescu

Cancer prognosis and survival outcome predictions are crucial for therapeutic response estimation and for stratifying patients into various treatment groups. Medical domains concerned with cancer prognosis are abundant with multiple…

Image and Video Processing · Electrical Eng. & Systems 2024-02-29 Ruining Deng , Nazim Shaikh , Gareth Shannon , Yao Nie

Fusion technique is a key research topic in multimodal sentiment analysis. The recent attention-based fusion demonstrates advances over simple operation-based fusion. However, these fusion works adopt single-scale, i.e., token-level or…

Computation and Language · Computer Science 2021-12-03 Huaishao Luo , Lei Ji , Yanyong Huang , Bin Wang , Shenggong Ji , Tianrui Li

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

Machine Learning · Computer Science 2025-05-28 Daniil A. Boiko , Thiago Reschützegger , Benjamin Sanchez-Lengeling , Samuel M. Blau , Gabe Gomes

Molecular property prediction aims to learn representations that map chemical structures to functional properties. While multimodal learning has emerged as a powerful paradigm to learn molecular representations, prior works have largely…

Machine Learning · Computer Science 2026-03-03 Feng Jiang , Mangal Prakash , Hehuan Ma , Jianyuan Deng , Yuzhi Guo , Amina Mollaysa , Tommaso Mansi , Rui Liao , Junzhou Huang

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

Generating chemically valid 3D molecular conformations is critical for computational drug discovery. Classical diffusion-based models like GeoLDM perform well but require hundreds of steps, making large-scale in silico screening…

Machine Learning · Computer Science 2026-05-11 Xinyuan Wei , Zian Li , Shaoheng Yan , Cai Zhou , Muhan Zhang

Multi-modal fusion is of great significance in neuroscience which integrates information from different modalities and can achieve better performance than uni-modal methods in downstream tasks. Current multi-modal fusion methods in brain…

Artificial Intelligence · Computer Science 2026-04-03 Rui Dong , Xiaotong Zhang , Jiaxing Li , Yueying Li , Jiayin Wei , Youyong Kong

Multi-modal salient object detection (MSOD) aims to boost saliency detection performance by integrating visible sources with depth or thermal infrared ones. Existing methods generally design different fusion schemes to handle certain issues…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Kunpeng Wang , Zhengzheng Tu , Chenglong Li , Cheng Zhang , Bin Luo

Histo-genomic multimodal survival prediction has garnered growing attention for its remarkable model performance and potential contributions to precision medicine. However, a significant challenge in clinical practice arises when only…

Machine Learning · Computer Science 2025-03-17 Fengchun Liu , Linghan Cai , Zhikang Wang , Zhiyuan Fan , Jin-gang Yu , Hao Chen , Yongbing Zhang

Understanding human intentions (e.g., emotions) from videos has received considerable attention recently. Video streams generally constitute a blend of temporal data stemming from distinct modalities, including natural language, facial…

Computer Vision and Pattern Recognition · Computer Science 2024-10-01 Dingkang Yang , Mingcheng Li , Linhao Qu , Kun Yang , Peng Zhai , Song Wang , Lihua Zhang
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