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Whole-body control (WBC) of humanoid robots has witnessed remarkable progress in skill versatility, enabling a wide range of applications such as locomotion, teleoperation, and motion tracking. Despite these achievements, existing WBC…

Robotics · Computer Science 2025-09-18 Weishuai Zeng , Shunlin Lu , Kangning Yin , Xiaojie Niu , Minyue Dai , Jingbo Wang , Jiangmiao Pang

In the molecular domain, numerous studies have explored the use of multimodal large language models (LLMs) to construct a general-purpose, multi-task molecular model. However, these efforts are still far from achieving a truly universal…

Machine Learning · Computer Science 2025-10-31 Chengxin Hu , Hao Li , Yihe Yuan , Zezheng Song , Chenyang Zhao , Haixin Wang

The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given…

Biomolecules · Quantitative Biology 2014-07-15 Cameron Mura , Charles E. McAnany

All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and…

Materials Science · Physics 2024-03-21 Stephen R. Xie , Matthias Rupp , Richard G. Hennig

The challenge of replicating research results has posed a significant impediment to the field of molecular biology. The advent of modern intelligent systems has led to notable progress in various domains. Consequently, we embarked on an…

Computer Vision and Pattern Recognition · Computer Science 2023-11-02 Jieming Cui , Ziren Gong , Baoxiong Jia , Siyuan Huang , Zilong Zheng , Jianzhu Ma , Yixin Zhu

Recent advances in machine learning, combined with the generation of extensive density functional theory (DFT) datasets, have enabled the development of universal machine learning interatomic potentials (uMLIPs). These models offer broad…

Materials Science · Physics 2025-08-05 Fei Shuang , Zixiong Wei , Kai Liu , Wei Gao , Poulumi Dey

Large Language Models (LLMs) demonstrate remarkable generalizability across diverse tasks, yet genomic foundation models (GFMs) still require separate finetuning for each downstream application, creating significant overhead as model sizes…

Genomics · Quantitative Biology 2025-02-07 Zehui Li , Vallijah Subasri , Yifei Shen , Dongsheng Li , Yiren Zhao , Guy-Bart Stan , Caihua Shan

We present UNIPHY+, a unified physiological foundation model (physioFM) framework designed to enable continuous human health and diseases monitoring across care settings using ubiquitously obtainable physiological data. We propose novel…

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-26 Pietro Incardona , Antonio Leo , Yaroslav Zaluzhnyi , Rajesh Ramaswamy , Ivo F. Sbalzarini

Foundation models (FMs) for the Earth system learn statistical relationships between physical variables across massive datasets to enable versatile downstream applications through finetuning, separating them from task-specific weather…

In most cases the ultrafast dynamics of resonantly excited molecules are considered, and almost always computed in the molecular frame, while experiments are carried out in the laboratory frame. Here we provide a formalism in terms of a lab…

Chemical Physics · Physics 2022-11-09 Margaret Gregory , Simon Neville , Michael Schuurman , Varun Makhija

Machine learning interatomic potentials (MLIPs) are one of the main techniques in the materials science toolbox, able to bridge ab initio accuracy with the computational efficiency of classical force fields. This allows simulations ranging…

Materials Science · Physics 2025-03-20 Bruno Focassio , Luis Paulo Mezzina Freitas , Gabriel R. Schleder

Molecular Field-Coupled Nanocomputing (MolFCN) is a promising beyond-CMOS paradigm in which information is propagated electrostatically rather than through charge transport, enabling ultra-low-power logic. Identifying molecules with stable…

Federated learning (FL) has become a promising paradigm for collaborative medical image analysis, yet existing frameworks remain tightly coupled to task-specific backbones and are fragile under heterogeneous imaging modalities. Such…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Meilin Liu , Jiaying Wang , Jing Shan

Global machine learning force fields (MLFFs), that have the capacity to capture collective many-atom interactions in molecular systems, currently only scale up to a few dozen atoms due a considerable growth of the model complexity with…

We present BioLangFusion, a simple approach for integrating pre-trained DNA, mRNA, and protein language models into unified molecular representations. Motivated by the central dogma of molecular biology (information flow from gene to…

Machine Learning · Computer Science 2025-06-11 Amina Mollaysa , Artem Moskale , Pushpak Pati , Tommaso Mansi , Mangal Prakash , Rui Liao

This paper presents the Unified Smart Factory Model (USFM), a comprehensive framework designed to translate high-level sustainability goals into measurable factory-level indicators with a systematic information map of manufacturing…

Artificial Intelligence · Computer Science 2025-12-15 Ishaan Kaushal , Amaresh Chakrabarti

Background and Objective: To address the inability of single-model architectures to perform simultaneous analysis of complex glomerular ultrastructures, we developed Glo-UMF, a unified multi-model framework integrating segmentation,…

Computer Vision and Pattern Recognition · Computer Science 2025-09-12 Zhentai Zhang , Danyi Weng , Guibin Zhang , Xiang Chen , Kaixing Long , Jian Geng , Yanmeng Lu , Lei Zhang , Zhitao Zhou , Lei Cao

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

Machine Learning · Computer Science 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Simulating large-scale protein dynamics using traditional all-atom molecular dynamics (MD) remains computationally prohibitive. We present a unified, universal framework for coarse-grained molecular dynamics (CG-MD) that achieves…

Atomic Physics · Physics 2026-04-16 Jinzhen Zhu
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