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The worldwide surge of multiresistant microbial strains has propelled the search for alternative treatment options. The study of Protein-Protein Interactions (PPIs) has been a cornerstone in the clarification of complex physiological and…

Artificial Intelligence & Nanotechnology are promising areas for the future of humanity. While Deep Learning based Computer Vision has found applications in many fields from medicine to automotive, its application in nanotechnology can open…

Computer Vision and Pattern Recognition · Computer Science 2022-01-05 Rajagopal A , Nirmala V , Andrew J , Arun Muthuraj Vedamanickam.

Building a working mental model of a protein typically requires weeks of reading, cross-referencing crystal and predicted structures, and inspecting ligand complexes, an effort that is slow, unevenly accessible, and often requires…

Biomolecules · Quantitative Biology 2025-10-22 Carles Navarro , Mariona Torrens , Philipp Thölke , Stefan Doerr , Gianni De Fabritiis

Machine Learning models have emerged as a powerful tool for fast and accurate prediction of different crystalline properties. Exiting state-of-the-art models rely on a single modality of crystal data i.e. crystal graph structure, where they…

Materials Science · Physics 2023-07-12 Kishalay Das , Pawan Goyal , Seung-Cheol Lee , Satadeep Bhattacharjee , Niloy Ganguly

Unified multimodal models aim to jointly enable visual understanding and generation, yet current benchmarks rarely examine their true integration. Existing evaluations either treat the two abilities in isolation or overlook tasks that…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Kai Zou , Ziqi Huang , Yuhao Dong , Shulin Tian , Dian Zheng , Hongbo Liu , Jingwen He , Bin Liu , Yu Qiao , Ziwei Liu

As interpretability gains attention in machine learning, there is a growing need for reliable models that fully explain representation content. We propose a mutual information (MI)-based method that decomposes neural network representations…

Machine Learning · Computer Science 2025-04-22 Lifeng Gu

Foundation models have achieved great advances in multi-task learning with a unified interface of unimodal and multimodal tasks. However, the potential of such multi-task learners has not been exploited during transfer learning. In this…

Computer Vision and Pattern Recognition · Computer Science 2023-05-18 Chengyue Wu , Teng Wang , Yixiao Ge , Zeyu Lu , Ruisong Zhou , Ying Shan , Ping Luo

Polyphenols and proteins are essential biomolecules that influence food functionality and, by extension, human health. Their interactions -- hereafter referred to as PhPIs (polyphenol-protein interactions) -- affect key processes such as…

Biomolecules · Quantitative Biology 2025-08-06 Qiang Liu , Tiantian Wang , Binbin Nian , Feiyang Ma , Siqi Zhao , Andrés F. Vásquez , Liping Guo , Chao Ding , Mehdi D. Davari

Medical doctors rely on images of the human anatomy, such as magnetic resonance imaging (MRI), to localize regions of interest in the patient during diagnosis and treatment. Despite advances in medical imaging technology, the information…

Human-Computer Interaction · Computer Science 2024-07-10 Laura Schütz , Sasan Matinfar , Gideon Schafroth , Navid Navab , Merle Fairhurst , Arthur Wagner , Benedikt Wiestler , Ulrich Eck , Nassir Navab

Multimodal information (e.g., visual, acoustic, and textual) has been widely used to enhance representation learning for micro-video recommendation. For integrating multimodal information into a joint representation of micro-video,…

Computer Vision and Pattern Recognition · Computer Science 2025-01-14 Han Liu , Yinwei Wei , Fan Liu , Wenjie Wang , Liqiang Nie , Tat-Seng Chua

Real-world problems are often dependent on multiple data modalities, making multimodal fusion essential for leveraging diverse information sources. In high-stakes domains, such as in healthcare, understanding how each modality contributes…

Neural and Evolutionary Computing · Computer Science 2025-05-19 Mafalda Malafaia , Thalea Schlender , Tanja Alderliesten , Peter A. N. Bosman

Proteins encode diverse functions within complex three-dimensional structures, yet most deep learning representations remain highly entangled, obscuring the biophysical signals that underlie function. Here we introduce ProtDiS, a…

Biomolecules · Quantitative Biology 2026-05-26 Mingqing Wang , Zhiwei Nie , Athanasios V. Vasilakos , Yonghong He , Zhixiang Ren

Learners' use of video controls in educational videos provides implicit signals of cognitive processing and instructional design quality, yet the lack of scalable and explainable predictive models limits instructors' ability to anticipate…

Artificial Intelligence · Computer Science 2026-04-07 Dominik Glandorf , Fares Fawzi , Tanja Käser

The identification of relevant features, i.e., the driving variables that determine a process or the properties of a system, is an essential part of the analysis of data sets with a large number of variables. A mathematical rigorous…

Machine Learning · Statistics 2022-08-02 Benjamin Regler , Matthias Scheffler , Luca M. Ghiringhelli

Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…

Machine Learning · Computer Science 2025-07-03 Jithendaraa Subramanian , Linda Hung , Daniel Schweigert , Santosh Suram , Weike Ye

Multiple instance learning (MIL) is a robust paradigm for whole-slide pathological image (WSI) analysis, processing gigapixel-resolution images with slide-level labels. As pioneering efforts, attention-based MIL (ABMIL) and its variants are…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Linghan Cai , Shenjin Huang , Ye Zhang , Jinpeng Lu , Yongbing Zhang

Human-robot interaction benefits greatly from multimodal sensor inputs as they enable increased robustness and generalization accuracy. Despite this observation, few HRI methods are capable of efficiently performing inference for multimodal…

Robotics · Computer Science 2019-08-15 Joseph Campbell , Simon Stepputtis , Heni Ben Amor

Multimodal neuroimaging modeling has becomes a widely used approach but confronts considerable challenges due to heterogeneity, which encompasses variability in data types, scales, and formats across modalities. This variability…

Neurons and Cognition · Quantitative Biology 2025-04-15 Gang Qu , Ziyu Zhou , Vince D. Calhoun , Aiying Zhang , Yu-Ping Wang

Atomic-scale simulations have progressed tremendously over the past decade, largely due to the availability of machine-learning interatomic potentials. These potentials combine the accuracy of electronic structure calculations with the…