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We propose a general framework to extract microscopic interactions from raw configurations with deep neural networks. The approach replaces the modeling Hamiltonian by the neural networks, in which the interaction is encoded. It can be…

Computational Physics · Physics 2020-08-19 Lingxiao Wang , Yin Jiang , Kai Zhou

Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…

Biological Physics · Physics 2021-03-24 Venkata K. Ramaswamy , Chris G. Willcocks , Matteo T. Degiacomi

The ever-growing demand for further advances in artificial intelligence motivated research on unconventional computation based on analog physical devices. While such computation devices mimic brain-inspired analog information processing,…

Neural and Evolutionary Computing · Computer Science 2022-05-02 Mitsumasa Nakajima , Katsuma Inoue , Kenji Tanaka , Yasuo Kuniyoshi , Toshikazu Hashimoto , Kohei Nakajima

We propose a nonlinear manifold learning technique based on deep convolutional autoencoders that is appropriate for model order reduction of physical systems in complex geometries. Convolutional neural networks have proven to be highly…

Computational Physics · Physics 2021-07-19 John Tencer , Kevin Potter

In the study of neurons, morphology influences function. The complexity in the structure of neurons poses a challenge in the identification and analysis of similar and dissimilar neuronal cells. Existing methodologies carry out structural…

Image and Video Processing · Electrical Eng. & Systems 2018-02-21 Tamal Batabyal , Scott T. Acton

As deep learning systems are scaled up to many billions of parameters, relating their internal structure to external behaviors becomes very challenging. Although daunting, this problem is not new: Neuroscientists and cognitive scientists…

Uncovering the fundamental neural correlates of biological intelligence, developing mathematical models, and conducting computational simulations are critical for advancing new paradigms in artificial intelligence (AI). In this study, we…

Neural and Evolutionary Computing · Computer Science 2024-09-05 Jie Su , Fang Cai , Shu-Kuo Zhao , Xin-Yi Wang , Tian-Yi Qian , Da-Hui Wang , Bo Hong

Delicate cloth simulations have long been desired in computer graphics. Various methods were proposed to improve engaged force interactions, collision handling, and numerical integrations. Deep learning has the potential to achieve fast and…

Graphics · Computer Science 2025-01-20 Zhiwei Zhao

Electromyography (EMG)--based computational musculoskeletal modeling is a non-invasive method for studying musculotendon function, human movement, and neuromuscular control, providing estimates of internal variables like muscle forces and…

Machine Learning · Computer Science 2025-03-10 Rajnish Kumar , Tapas Tripura , Souvik Chakraborty , Sitikantha Roy

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

Computational Physics · Physics 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

We present a data-driven pipeline for model building that combines interpretable machine learning, hydrodynamic theories, and microscopic models. The goal is to uncover the underlying processes governing nonlinear dynamics experiments. We…

Soft Condensed Matter · Physics 2024-04-22 Jonathan Colen , Alexis Poncet , Denis Bartolo , Vincenzo Vitelli

Mechanical metamaterials are periodic lattice structures with complex unit cell architectures that can achieve extraordinary mechanical properties beyond the capability of bulk materials. A new class of metamaterials is proposed, whose…

Applied Physics · Physics 2022-07-22 Marius Wagner , Fabian Schwarz , Nick Huber , Lena Geistlich , Henning Galinski , Ralph Spolenak

Exascale computing holds great opportunities for molecular dynamics (MD) simulations. However, to take full advantage of the new possibilities, we must learn how to focus computational power on the discovery of complex molecular mechanisms,…

Chemical Physics · Physics 2019-01-16 Hendrik Jung , Roberto Covino , Gerhard Hummer

Topology optimization of microstructures plays a critical role in optimizing functional performance across diverse engineering applications. While metamaterials with enhanced mechanical properties -- such as hyperelasticity, energy…

Soft Condensed Matter · Physics 2025-01-27 Weiming Wang , Yanhao Hou , Renbo Su , Weiguang Wang , Charlie C. L. Wang

Physical implementations of neural computation now extend far beyond silicon hardware, encompassing substrates such as memristive devices, photonic circuits, mechanical metamaterials, microfluidic networks, chemical reaction systems, and…

Neural and Evolutionary Computing · Computer Science 2026-05-29 Stefan Fischer , Nihat Ay , Olaf Landsiedel , Esfandiar Mohammadi , Sebastian Otte , Bernd-Christian Renner , Nele Rußwinkel

The aim of this work is to develop a neural network for modelling incompressible hyperelastic behaviour with isotropic damage, the so-called Mullins effect. This is obtained through the use of feed-forward neural networks with special…

Computational Physics · Physics 2024-11-21 Martin Zlatić , Marko Čanađija

The ability to train ever-larger neural networks brings artificial intelligence to the forefront of scientific and technical discoveries. However, their exponentially increasing size creates a proportionally greater demand for energy and…

Machine learning algorithms, and more in particular neural networks, arguably experience a revolution in terms of performance. Currently, the best systems we have for speech recognition, computer vision and similar problems are based on…

Neural and Evolutionary Computing · Computer Science 2015-10-07 Michiel Hermans , Michaël Burm , Joni Dambre , Peter Bienstman

Despite the striking successes of deep neural networks trained with gradient-based optimization, these methods differ fundamentally from their biological counterparts. This gap raises key questions about how nature achieves robust,…

Machine Learning · Computer Science 2025-10-15 Mattia Scardecchia

Efficient operation of intelligent machines in the real world requires methods that allow them to understand and predict the uncertainties presented by the unstructured environments with good accuracy, scalability and generalization,…

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