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Mapping the conformational dynamics of proteins is crucial for elucidating their functional mechanisms. While Molecular Dynamics (MD) simulation enables detailed time evolution of protein motion, its computational toll hinders its use in…

We introduce a method for manipulating objects in three-dimensional space using controlled fluid streams. To achieve this, we train a neural network controller in a differentiable simulation and evaluate it in a simulated environment…

Robotics · Computer Science 2024-04-30 Karlis Freivalds , Laura Leja , Oskars Teikmanis

We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…

Soft Condensed Matter · Physics 2013-05-29 O. Corradini , P. Faccioli , H. Orland

Dynamic simulators are computational models governed by differential equations that evolve over time. They are essential for scientific and engineering applications but remain challenging to emulate because of the unpredictable behavior of…

Computation · Statistics 2025-08-12 Junoh Heo

Direct numerical simulations (DNS) are accurate but computationally expensive for predicting materials evolution across timescales, due to the complexity of the underlying evolution equations, the nature of multiscale spatio-temporal…

Machine Learning · Computer Science 2023-12-12 Vivek Oommen , Khemraj Shukla , Saaketh Desai , Remi Dingreville , George Em Karniadakis

Recent advances in deep learning have allowed neural networks (NNs) to successfully replace traditional numerical solvers in many applications, thus enabling impressive computing gains. One such application is time domain simulation, which…

Machine Learning · Computer Science 2021-12-09 Samuel Chevalier , Jochen Stiasny , Spyros Chatzivasileiadis

We describe an approximation to backpropagation algorithm for training deep neural networks, which is designed to work with synapses implemented with memristors. The key idea is to represent the values of both the input signal and the…

Neural and Evolutionary Computing · Computer Science 2016-07-28 D. V. Negrov , I. M. Karandashev , V. V. Shakirov , Yu. A. Matveyev , W. L. Dunin-Barkowski , A. V. Zenkevich

This paper explores a simple question: can we model the internal transformations of a neural network using dynamical systems theory? We introduce Koopman autoencoders to capture how neural representations evolve through network layers,…

Machine Learning · Computer Science 2025-05-20 Nishant Suresh Aswani , Saif Eddin Jabari

Neural networks have been employed for a wide range of processing applications like image processing, motor control, object detection and many others. Living neural networks offer advantages of lower power consumption, faster processing,…

Emerging Technologies · Computer Science 2024-01-22 Sanjana Shetty

Robust control policy learning for autonomous driving requires training environments to be both physically realistic and computationally scalable, properties that existing simulators provide only in isolation. We introduce Sim2Sim2Sim, a…

Robotics · Computer Science 2026-05-05 Xunjiang Gu , Kashyap Chitta , Mahsa Golchoubian , Vladimir Suplin , Igor Gilitschenski

High-fidelity quantum dynamics emulators can be used to predict the time evolution of complex physical systems. Here, we introduce an efficient training framework for constructing machine learning-based emulators. Our approach is based on…

Quantum Physics · Physics 2022-03-22 Yu Yao , Chao Cao , Stephan Haas , Mahak Agarwal , Divyam Khanna , Marcin Abram

How do we enable AI systems to efficiently learn in the real-world? First-principles models are widely used to simulate natural systems, but often fail to capture real-world complexity due to simplifying assumptions. In contrast, deep…

Machine Learning · Computer Science 2025-09-09 Lenart Treven , Bhavya Sukhija , Jonas Rothfuss , Stelian Coros , Florian Dörfler , Andreas Krause

Stochastic simulation can make the molecular processes of cellular control more vivid than the traditional differential-equation approach by generating typical system histories instead of just statistical measures such as the mean and…

Subcellular Processes · Quantitative Biology 2018-09-18 Kevin Y. Chen , Daniel M. Zuckerman , Philip C. Nelson

We propose a probabilistic framework for developing computational models of biological neural systems. In this framework, physiological recordings are viewed as discrete-time partial observations of an underlying continuous-time stochastic…

Neurons and Cognition · Quantitative Biology 2026-02-10 Ahmed ElGazzar , Marcel van Gerven

We developed a simulator to quantify the effect of changes in environmental parameters on plant growth in precision farming. Our approach combines the processing of plant images with deep convolutional neural networks (CNN), growth curve…

Systems and Control · Electrical Eng. & Systems 2022-12-07 J. Amacker , T. Kleiven , M. Grigore , P. Albrecht , C. Horn

We show that a neural network originally designed for language processing can learn the dynamical rules of a stochastic system by observation of a single dynamical trajectory of the system, and can accurately predict its emergent behavior…

Statistical Mechanics · Physics 2022-02-18 Corneel Casert , Isaac Tamblyn , Stephen Whitelam

Chemotaxis combines three processes: directional sensing, polarity reorientation and migration. Directed migration plays an important role in immune response, metastasis, wound healing and development. To describe chemotaxis, we extend a…

Biological Physics · Physics 2023-12-04 Pedro C. Dal-Castel , Gilberto L. Thomas , Gabriel C. Perrone , Rita M. C. de Almeida

Quadrotor stabilizing controllers often require careful, model-specific tuning for safe operation. We use reinforcement learning to train policies in simulation that transfer remarkably well to multiple different physical quadrotors. Our…

Robotics · Computer Science 2019-04-17 Artem Molchanov , Tao Chen , Wolfgang Hönig , James A. Preiss , Nora Ayanian , Gaurav S. Sukhatme

Differentiable simulators provide an avenue for closing the sim-to-real gap by enabling the use of efficient, gradient-based optimization algorithms to find the simulation parameters that best fit the observed sensor readings. Nonetheless,…

Robotics · Computer Science 2021-05-21 Eric Heiden , David Millard , Erwin Coumans , Yizhou Sheng , Gaurav S. Sukhatme

Dynamical systems see widespread use in natural sciences like physics, biology, chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential…