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Predicting electronic energies, densities, and related chemical properties can facilitate the discovery of novel catalysts, medicines, and battery materials. By developing a physics-inspired equivariant neural network, we introduce a method…

Cross-platform verification, a critical undertaking in the realm of early-stage quantum computing, endeavors to characterize the similarity of two imperfect quantum devices executing identical algorithms, utilizing minimal measurements.…

Quantum Physics · Physics 2023-11-08 Yang Qian , Yuxuan Du , Zhenliang He , Min-hsiu Hsieh , Dacheng Tao

Evaluation is essential in image fusion research, yet most existing metrics are directly borrowed from other vision tasks without proper adaptation. These traditional metrics, often based on complex image transformations, not only fail to…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Chunyang Cheng , Tianyang Xu , Xiao-Jun Wu , Tao Zhou , Hui Li , Zhangyong Tang , Josef Kittler

Basic problems of the semiclassical microscopic modelling of strongly interactingsystems are discussed within the framework of Quantum Molecular Dynamics (QMD). This model allows to study the influence of several types of nucleonic…

Nuclear Theory · Physics 2014-11-18 C. Hartnack , Rajeev K. Puri , J. Aichelin , J. Konopka , S. A. Bass , H. Stoecker , W. Greiner

Recent advances in unified multimodal models (UMMs) have enabled impressive progress in visual comprehension and generation. However, existing datasets and benchmarks focus primarily on single-turn interactions, failing to capture the…

Computer Vision and Pattern Recognition · Computer Science 2025-11-17 Wei Chow , Jiachun Pan , Yongyuan Liang , Mingze Zhou , Xue Song , Liyu Jia , Saining Zhang , Siliang Tang , Juncheng Li , Fengda Zhang , Weijia Wu , Hanwang Zhang , Tat-Seng Chua

While deep learning is transforming data analysis in high-energy physics, computational challenges limit its potential. We address these challenges in the context of collider physics by introducing EveNet, an event-level foundation model…

Non-covalent interactions are a key ingredient to determine the structure, stability, and dynamics of materials, molecules, and biological complexes. However, accurately capturing these interactions is a complex quantum many-body problem,…

Quantum Physics · Physics 2023-10-27 Matthieu Sarkis , Alessio Fallani , Alexandre Tkatchenko

Quantum mechanics occupies a central position in contemporary science while remaining largely inaccessible to direct sensory experience. This paper proposes a roadmap to quantum aesthetics that examines how quantum concepts become aesthetic…

Popular Physics · Physics 2026-02-10 Ivan C. H. Liu , Hsiao-Yuan Chen

We introduce CompareBench, a benchmark for evaluating visual comparison reasoning in vision-language models (VLMs), a fundamental yet understudied skill. CompareBench consists of 1000 QA pairs across four tasks: quantity (600), temporal…

Computer Vision and Pattern Recognition · Computer Science 2025-12-19 Jie Cai , Kangning Yang , Lan Fu , Jiaming Ding , Jinlong Li , Huiming Sun , Daitao Xing , Jinglin Shen , Zibo Meng

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-body methods should be offering deep insights into these…

Materials Science · Physics 2025-01-03 Zigeng Huang , Zhen Guo , Changsu Cao , Hung Q. Pham , Xuelan Wen , George H. Booth , Ji Chen , Dingshun Lv

While machine learning (ML) models have been able to achieve unprecedented accuracies across various prediction tasks in quantum chemistry, it is now apparent that accuracy on a test set alone is not a guarantee for robust chemical modeling…

Accurately predicting enzyme functionality remains one of the major challenges in computational biology, particularly for enzymes with limited structural annotations or sequence homology. We present a novel multimodal Quantum Machine…

Machine Learning · Computer Science 2025-08-21 Murat Isik , Mandeep Kaur Saggi , Humaira Gowher , Sabre Kais

We tackle the crucial challenge of fusing different modalities of features for multimodal sentiment analysis. Mainly based on neural networks, existing approaches largely model multimodal interactions in an implicit and hard-to-understand…

Multimedia · Computer Science 2021-03-23 Qiuchi Li , Dimitris Gkoumas , Christina Lioma , Massimo Melucci

Learning many-body quantum states and quantum phase transitions remains a major challenge in quantum many-body physics. Classical machine learning methods offer certain advantages in addressing these difficulties. In this work, we propose a…

Quantum Physics · Physics 2026-02-03 Xin Li , Zhang-Qi Yin

Unraveling the hierarchical structure-property relationships is the central challenge of materials science, necessitating the interpretation of data across vast physical scales from micro to macro. Despite the rapid integration of Large…

Digital Libraries · Computer Science 2026-03-23 Yuting Zheng , Zijian Chen , Qi Jia

The rapid growth of computer vision and increasingly complex image recognition tasks has exposed fundamental computational limitations of classical machine learning models, motivating the exploration of quantum computing as an emerging new…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Sudip Vhaduri , Ryan Gammon , Sayanton Dibbo

Machine learning potentials have become increasingly successful in atomistic simulations. Many of these potentials are based on an atomistic representation in a local environment, but an efficient description of non-local interactions that…

Chemical Physics · Physics 2024-10-01 Yibin Wu , Junfan Xia , Yaolong Zhang , Bin Jiang

Hybrid quantum-classical models offer a promising route for learning from complex data; however, their application to multi-band remote sensing imagery often relies on generic, data-agnostic quantum circuits that fail to account for…

Quantum Physics · Physics 2026-05-01 Md Aminur Hossain , Ayush V. Patel , Biplab Banerjee
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