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We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…

Soft Condensed Matter · Physics 2007-05-23 Matej Praprotnik , Luigi Delle Site , Kurt Kremer

Differentiable simulators represent an environment's dynamics as a differentiable function. Within robotics and autonomous driving, this property is used in Analytic Policy Gradients (APG), which relies on backpropagating through the…

Artificial Intelligence · Computer Science 2025-11-14 Asen Nachkov , Danda Pani Paudel , Jan-Nico Zaech , Davide Scaramuzza , Luc Van Gool

In this paper we use deep feedforward artificial neural networks to approximate solutions to partial differential equations in complex geometries. We show how to modify the backpropagation algorithm to compute the partial derivatives of the…

Machine Learning · Statistics 2018-08-28 Jens Berg , Kaj Nyström

Computational imaging systems jointly design computation and hardware to retrieve information which is not traditionally accessible with standard imaging systems. Recently, critical aspects such as experimental design and image priors are…

Image and Video Processing · Electrical Eng. & Systems 2020-03-13 Michael Kellman , Jon Tamir , Emrah Boston , Michael Lustig , Laura Waller

Physics-based simulation involves trade-offs between performance and accuracy. In collision detection, one trade-off is the granularity of collider geometry. Primitive-based colliders such as bounding boxes are efficient, while using the…

Graphics · Computer Science 2026-04-07 Egor Fokin , Manolis Savva

The successes of deep learning, variational inference, and many other fields have been aided by specialized implementations of reverse-mode automatic differentiation (AD) to compute gradients of mega-dimensional objectives. The AD…

Machine Learning · Computer Science 2021-03-16 Deniz Oktay , Nick McGreivy , Joshua Aduol , Alex Beatson , Ryan P. Adams

The auto differentiable simulation is a type of simulation that outputs of the simulation include not only the simulation result itself, but also their derivatives with respect to various input parameters. It provides an efficient method to…

Computational Physics · Physics 2025-12-01 Ji Qianga , Yue Hao , Allen Qiang , Jinyu Wan

Copulas provide a modular parameterization of multivariate distributions that decouples the modeling of marginals from the dependencies between them. Gaussian Mixture Copula Model (GMCM) is a highly flexible copula that can model many kinds…

Methodology · Statistics 2021-09-29 Siva Rajesh Kasa , Vaibhav Rajan

We present a method for differentiable simulation of soft articulated bodies. Our work enables the integration of differentiable physical dynamics into gradient-based pipelines. We develop a top-down matrix assembly algorithm within…

Machine Learning · Computer Science 2022-05-05 Yi-Ling Qiao , Junbang Liang , Vladlen Koltun , Ming C. Lin

We present a previously unexplored forward-mode differentiation method for Maxwell's equations, with applications in the field of sensitivity analysis. This approach yields exact gradients and is similar to the popular adjoint variable…

Optics · Physics 2019-12-24 Tyler W Hughes , Ian A D Williamson , Momchil Minkov , Shanhui Fan

This study presents an efficient and accurate discrete adjoint gas-kinetic scheme (GKS) for sensitivity analysis and aerodynamic shape optimization in continuum flow regimes. Developed using the backward mode of algorithmic differentiation…

Fluid Dynamics · Physics 2026-04-17 Hangkong Wu , Yuze Zhu , Yajun Zhu , Kun Xu

Simulation systems have become an essential component in the development and validation of autonomous driving technologies. The prevailing state-of-the-art approach for simulation is to use game engines or high-fidelity computer graphics…

Computer Vision and Pattern Recognition · Computer Science 2020-10-30 Wei Li , Chengwei Pan , Rong Zhang , Jiaping Ren , Yuexin Ma , Jin Fang , Feilong Yan , Qichuan Geng , Xinyu Huang , Huajun Gong , Weiwei Xu , Guoping Wang , Dinesh Manocha , Ruigang Yang

Molecular dynamics (MD) simulations are essential for studying complex molecular systems, but their high computational cost limits scalability. Coarse-grained (CG) models reduce this cost by simplifying the system, yet traditional…

Chemical Physics · Physics 2025-04-10 Yihang Wang , Gregory A. Voth

Research in manipulation of deformable objects is typically conducted on a limited range of scenarios, because handling each scenario on hardware takes significant effort. Realistic simulators with support for various types of deformations…

Robotics · Computer Science 2025-05-15 Priya Sundaresan , Rika Antonova , Jeannette Bohg

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

As a critical task in autonomous driving perception systems, 3D object detection is used to identify and track key objects, such as vehicles and pedestrians. However, detecting distant, small, or occluded objects (hard instances) remains a…

Computer Vision and Pattern Recognition · Computer Science 2025-11-14 Feiyang Jia , Caiyan Jia , Ailin Liu , Shaoqing Xu , Qiming Xia , Lin Liu , Lei Yang , Yan Gong , Ziying Song

The alternating direction method of multipliers (ADMM) has been applied successfully in a broad spectrum of areas. Moreover, it was shown in the literature that ADMM is closely related to the Douglas-Rachford operator-splitting method, and…

Optimization and Control · Mathematics 2024-01-10 Renyuan Ni

We propose a new class of generative models that naturally handle data of varying dimensionality by jointly modeling the state and dimension of each datapoint. The generative process is formulated as a jump diffusion process that makes…

This paper presents a novel non-linear model reduction method: Probabilistic Manifold Decomposition (PMD), which provides a powerful framework for constructing non-intrusive reduced-order models (ROMs) by embedding a high-dimensional system…

Numerical Analysis · Mathematics 2026-01-09 Jiaming Guo , Dunhui Xiao

State-of-the-art cosmological simulations on classical computers are limited by time, energy, and memory usage. Quantum computers can perform some calculations exponentially faster than classical computers, using exponentially less energy…

Cosmology and Nongalactic Astrophysics · Physics 2021-03-31 Philip Mocz , Aaron Szasz