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We propose a stochastic reachability computation framework for occupancy prediction in automated driving by directly solving the underlying transport partial differential equation governing the advection of the closed-loop joint density…

Optimization and Control · Mathematics 2020-11-04 Shadi Haddad , Abhishek Halder , Baljeet Singh

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

In this work, I propose a statistical mechanical framework, for the evaluation of the free energy in molecular systems, by "deleting" all the molecules in a "single" step. The approach can be considered as the statistical mechanics…

Statistical Mechanics · Physics 2011-08-16 Georgios C. Boulougouris

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

For configurations of point-sets that are pairwise constrained by distance intervals, the EASAL software implements a suite of algorithms that characterize the structure and geometric properties of the configuration space. The algorithms…

Computational Geometry · Computer Science 2018-06-06 Aysegul Ozkan , Rahul Prabhu , Troy Baker , James Pence , Jorg Peters , Meera Sitharam

The configurational density of states (CDOS) encodes all the relevant thermodynamic information contained in the interaction potentials for statistical mechanical systems. However, its explicit computation is usually a challenge for…

Statistical Mechanics · Physics 2026-04-20 Sergio Davis , Boris Maulén

We describe AMUSE, the Astrophysical Multipurpose Software Environment, a programming framework designed to manage multi-scale, multi-physics simulations in a hierarchical, extensible, and internally consistent way. Constructed as a…

Instrumentation and Methods for Astrophysics · Physics 2015-03-19 Stephen McMillan , Simon Portegies Zwart , Arjen van Elteren , Alfred Whitehead

Machine learning (ML) systems expose a rapidly expanding configuration space spanning model-parallelism strategies, communication optimizations, and low-level runtime parameters. End-to-end system efficiency is highly sensitive to these…

Machine Learning · Computer Science 2026-03-13 Jimmy Shong , Yuhan Ding , Yihan Jiang , Liheng Jing , Haonan Chen , Gaokai Zhang , Aditya Akella , Fan Lai

Automated Machine Learning (AutoML) is used more than ever before to support users in determining efficient hyperparameters, neural architectures, or even full machine learning pipelines. However, users tend to mistrust the optimization…

Machine Learning · Computer Science 2022-07-12 René Sass , Eddie Bergman , André Biedenkapp , Frank Hutter , Marius Lindauer

The paper proposes a method for the correct by design coordination of autonomous driving systems (ADS). It builds on previous results on collision avoidance policies and the modeling of ADS by combining descriptions of their static…

Multiagent Systems · Computer Science 2022-05-23 Marius Bozga , Joseph Sifakis

We introduce QDsim, a python package tailored for the rapid generation of charge stability diagrams in large-scale quantum dot devices, extending beyond traditional double or triple dots. QDsim is founded on the constant interaction model…

Mesoscale and Nanoscale Physics · Physics 2025-01-29 Valentina Gualtieri , Charles Renshaw-Whitman , Vinicius Hernandes , Eliska Greplova

The density classification (DC) task, a computation which maps global density information to local density, is studied using one-dimensional non-unitary quantum cellular automata (QCAs). Two approaches are considered: one that preserves the…

Quantum Physics · Physics 2025-01-22 Elisabeth Wagner , Federico Dell'Anna , Ramil Nigmatullin , Gavin K. Brennen

Multiphysics simulation frameworks such as MOOSE provide rigorous engines for phase-field materials modeling, yet adoption is constrained by the expertise required to construct valid input files, coordinate parameter sweeps, diagnose…

Artificial Intelligence · Computer Science 2026-03-24 Sukriti Manna , Henry Chan , Subramanian K. R. S. Sankaranarayanan

Designing microstructures with coupled cross-physics objectives is a fundamental challenge where traditional topology optimization is often computationally prohibitive and deep generative models frequently suffer from physical…

Artificial Intelligence · Computer Science 2026-04-14 Zhenyuan Zhao , Yu Xing , Tianyang Xue , Lingxin Cao , Xin Yan , Lin Lu

With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…

Chemical Physics · Physics 2020-04-03 William Dawson , Stephan Mohr , Laura E. Ratcliff , Takahito Nakajima , Luigi Genovese

In this work, we propose ultra-low-complexity design solutions for multi-group multicast beamforming in large-scale systems. For the quality-of-service (QoS) problem, by utilizing the optimal multicast beamforming structure obtained…

Information Theory · Computer Science 2023-04-17 Chong Zhang , Min Dong , Ben Liang

Neural networks and deep learning are changing the way that artificial intelligence is being done. Efficiently choosing a suitable network architecture and fine-tune its hyper-parameters for a specific dataset is a time-consuming task given…

Machine Learning · Computer Science 2019-05-16 David Laredo , Yulin Qin , Oliver Schütze , Jian-Qiao Sun

In this work, we present MADRaS, an open-source multi-agent driving simulator for use in the design and evaluation of motion planning algorithms for autonomous driving. MADRaS provides a platform for constructing a wide variety of highway…

autoScale.py is a program that performs an automatic finite-size scaling analysis for given sets of simulated data. It implements a quite general scaling assumption and optimizes an initial set of scaling parameters that enforce a data…

Computational Physics · Physics 2009-10-29 O. Melchert

Wavelength calibration is a routine and critical part of any spectral work-flow, but many astronomers still resort to matching detected peaks and emission lines by hand. We present RASCAL (RANSAC Assisted Spectral CALibration), a python…

Instrumentation and Methods for Astrophysics · Physics 2019-12-13 Josh Veitch-Michaelis , Marco C Lam
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