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Developing accurate and efficient coarse-grained representations of proteins is crucial for understanding their folding, function, and interactions over extended timescales. Our methodology involves simulating proteins with molecular…

Biomolecules · Quantitative Biology 2023-10-11 Carles Navarro , Maciej Majewski , Gianni de Fabritiis

Data-driven methods have become increasingly more prominent for musculoskeletal modelling due to their conceptually intuitive simple and fast implementation. However, the performance of a pre-trained data-driven model using the data from…

Signal Processing · Electrical Eng. & Systems 2022-11-23 Jie Zhang , Yihui Zhao , Tianzhe Bao , Zhenhong Li , Kun Qian , Alejandro F. Frangi , Sheng Quan Xie , Zhi-Qiang Zhang

We propose a highly coarse-grained simulation model for crystalline polymer solids with crystalline lamellar structures. The mechanical properties of a crystalline polymer solid are mainly determined by the crystalline lamellar structures.…

Soft Condensed Matter · Physics 2025-01-13 Takashi Uneyama

The last decade has witnessed the success of deep learning and the surge of publicly released trained models, which necessitates the quantification of the model functional distance for various purposes. However, quantifying the model…

Machine Learning · Computer Science 2023-09-21 Jie Song , Zhengqi Xu , Sai Wu , Gang Chen , Mingli Song

As a nonlocal extension of continuum mechanics, peridynamics has been widely and effectively applied in different fields where discontinuities in the field variables arise from an initially continuous body. An important component of the…

Numerical Analysis · Mathematics 2021-09-22 Xiao Xu , Marta D'Elia , John T. Foster

We introduce PhysXNet, a learning-based approach to predict the dynamics of deformable clothes given 3D skeleton motion sequences of humans wearing these clothes. The proposed model is adaptable to a large variety of garments and changing…

Computer Vision and Pattern Recognition · Computer Science 2021-11-16 Jordi Sanchez-Riera , Albert Pumarola , Francesc Moreno-Noguer

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…

Statistical Mechanics · Physics 2023-04-12 Shriram Chennakesavalu , David J. Toomer , Grant M. Rotskoff

We present a data-driven machine-learning approach for modeling space-time socioeconomic dynamics. Through coarse-graining fine-scale observations, our modeling framework simplifies these complex systems to a set of tractable mechanistic…

Machine Learning · Computer Science 2024-07-26 James Koch , Pranab Roy Chowdhury , Heng Wan , Parin Bhaduri , Jim Yoon , Vivek Srikrishnan , W. Brent Daniel

Recent video diffusion models have achieved impressive capabilities as large-scale generative world models. However, these models often struggle with fine-grained physical consistency, exhibiting physically implausible dynamics over time.…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Haoran Lu , Shang Wu , Jianshu Zhang , Maojiang Su , Guo Ye , Chenwei Xu , Lie Lu , Pranav Maneriker , Fan Du , Manling Li , Zhaoran Wang , Han Liu

We propose TaxaDiffusion, a taxonomy-informed training framework for diffusion models to generate fine-grained animal images with high morphological and identity accuracy. Unlike standard approaches that treat each species as an independent…

Computer Vision and Pattern Recognition · Computer Science 2025-06-27 Amin Karimi Monsefi , Mridul Khurana , Rajiv Ramnath , Anuj Karpatne , Wei-Lun Chao , Cheng Zhang

This paper deals with differentiable dynamical models congruent with neural process theories that cast brain function as the hierarchical refinement of an internal generative model explaining observations. Our work extends existing…

Machine Learning · Computer Science 2021-12-10 André Ofner , Sebastian Stober

Current physics models used to interpret experimental measurements of particle beams require either simplifying assumptions to be made in order to ensure analytical tractability, or black box optimization methods to perform model based…

Accelerator Physics · Physics 2022-11-17 Ryan Roussel , Auralee Edelen

Video representation learning has recently attracted attention in computer vision due to its applications for activity and scene forecasting or vision-based planning and control. Video prediction models often learn a latent representation…

Computer Vision and Pattern Recognition · Computer Science 2020-09-18 Rama Krishna Kandukuri , Jan Achterhold , Michael Möller , Jörg Stückler

Deep learning has achieved astonishing results on many tasks with large amounts of data and generalization within the proximity of training data. For many important real-world applications, these requirements are unfeasible and additional…

Machine Learning · Computer Science 2019-07-11 Michael Lutter , Christian Ritter , Jan Peters

Compliant grippers, owing to adaptivity and safety, have attracted considerable attention for unstructured grasping in real applications, such as industrial or logistic scenarios. However, accurately modeling the bidirectional relationship…

Robotics · Computer Science 2023-06-21 Huixu Dong , Haotian Guo , Sihao Yang , Chen Qiu , Jiansheng Dai , I-Ming Chen

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics…

Machine Learning · Computer Science 2021-10-28 Naoya Takeishi , Alexandros Kalousis

Classical physical modelling with associated numerical simulation (model-based), and prognostic methods based on the analysis of large amounts of data (data-driven) are the two most common methods used for the mapping of complex physical…

Computational Engineering, Finance, and Science · Computer Science 2023-07-11 Derick Nganyu Tanyu , Isabel Michel , Andreas Rademacher , Jörg Kuhnert , Peter Maass

With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…

Machine Learning · Computer Science 2023-06-13 Yuwen Deng , Wang Kang , Wei W. Xing

High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…

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