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Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for…

Computational Physics · Physics 2017-03-31 Kyle E. Niemeyer , Nicholas J. Curtis , Chih-Jen Sung

Component-Based Development (CBD) is a popular approach to mitigating the costs of creating software systems. However, it is not clear to what extent the core component selection and adaptation activities of CBD can be implemented to…

Software Engineering · Computer Science 2022-05-11 Todd Wareham , Marieke Sweers

The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest…

Minimal problems in computer vision raise the demand of generating efficient automatic solvers for polynomial equation systems. Given a polynomial system repeated with different coefficient instances, the traditional Gr\"obner basis or…

Computer Vision and Pattern Recognition · Computer Science 2020-04-27 Bo Li , Viktor Larsson

We propose automated augmented conjugate inference, a new inference method for non-conjugate Gaussian processes (GP) models. Our method automatically constructs an auxiliary variable augmentation that renders the GP model conditionally…

Machine Learning · Statistics 2020-02-27 Théo Galy-Fajou , Florian Wenzel , Manfred Opper

We present a complex data handling system for the COMPASS tokamak, operated by IPP ASCR Prague, Czech Republic [1]. The system, called CDB (Compass DataBase), integrates different data sources as an assortment of data acquisition hardware…

Databases · Computer Science 2014-04-01 J. Urban , J. Pipek , M. Hron , F. Janky , R. Papřok , M. Peterka , A. S. Duarte

The exponential growth of complex data demands fully automatic clustering. Gaussian mixture models (GMMs) provide uncertainty-aware grouping but often require expertise to specify hyperparameters, e.g., component count and covariance…

Machine Learning · Computer Science 2025-09-10 Tingshan Liu , Thomas L. Athey , Benjamin D. Pedigo , Joshua T. Vogelstein

Every numerical general relativistic investigation starts from the solution of the initial value equations at a given time. Astrophysically relevant initial values for different systems lead to distinct set of equations that obey specific…

General Relativity and Quantum Cosmology · Physics 2024-05-24 Lambros Boukas , Antonios Tsokaros , Koji Uryu

High dimensional correlated binary data arise in many areas, such as observed genetic variations in biomedical research. Data simulation can help researchers evaluate efficiency and explore properties of different computational and…

Methodology · Statistics 2020-07-29 Wei Jiang , Shuang Song , Lin Hou , Hongyu Zhao

We investigate the use of optimized correlation consistent gaussian basis sets for the study of insulating solids with auxiliary-field quantum Monte Carlo (AFQMC). The exponents of the basis set are optimized through the minimization of the…

Chemical Physics · Physics 2021-02-03 Miguel A. Morales , Fionn D. Malone

Data processing pipelines represent an important slice of the astronomical software library that include chains of processes that transform raw data into valuable information via data reduction and analysis. In this work we present Corral,…

Instrumentation and Methods for Astrophysics · Physics 2017-08-09 Juan B. Cabral , Bruno Sánchez , Martín Beroiz , Mariano Domínguez , Marcelo Lares , Sebastián Gurovich , Pablo Granitto

We present approximation algorithms for maximum independent set of pseudo-disks in the plane, both in the weighted and unweighted cases. For the unweighted case, we prove that a local search algorithm yields a \PTAS. For the weighted case,…

Computational Geometry · Computer Science 2011-03-09 Timothy M. Chan , Sariel Har-Peled

We present release 1.3 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum…

The automated assembly of complex products requires a system that can automatically plan a physically feasible sequence of actions for assembling many parts together. In this paper, we present ASAP, a physics-based planning approach for…

This article introduces ATAB, a tool that automatically generates pairwise reachability checks for action trees. Action trees can be used to study the behaviour of real-world concurrent programs. ATAB encodes pairwise reachability checks…

Logic in Computer Science · Computer Science 2016-04-25 Jonathan Hoyland , Matthew Hague

AI-based code assistants are increasingly popular as a means to enhance productivity and improve code quality. This study compares four AI-based code assistants, GitHub Copilot, Tabnine, ChatGPT, and Google Bard, in method generation tasks,…

Software Engineering · Computer Science 2024-02-15 Vincenzo Corso , Leonardo Mariani , Daniela Micucci , Oliviero Riganelli

The Machine Assisted Generation, Comparison, and Calibration (MAGCC) framework provides machine assistance and automation of recurrent crucial steps and processes in the development, implementation, testing, and use of scientific simulation…

Artificial Intelligence · Computer Science 2022-04-25 Chase Cockrell , Scott Christley , Gary An

Implementing the group arithmetic is a cost-critical task when designing quantum circuits for Shor's algorithm to solve the discrete logarithm problem. We introduce a tool for the automatic generation of addition circuits for ordinary…

Quantum Physics · Physics 2014-01-13 Parshuram Budhathoki , Rainer Steinwandt

Parallel reasoning, where a generator samples many candidate solutions and an aggregator selects the best, is one of the most effective forms of test-time scaling in large language models, and pairwise self-verification has become its…

Artificial Intelligence · Computer Science 2026-05-18 Fangzhou Lin , Shuo Xing , Peiran Li , Siyuan Yang , Qianwen Ge , Kazunori Yamada , Ziming Zhang , Haichong Zhang , Zhengzhong Tu

Despite substantial progress in anomaly synthesis methods, existing diffusion-based and coarse inpainting pipelines commonly suffer from structural deficiencies such as micro-structural discontinuities, limited semantic controllability, and…

Computer Vision and Pattern Recognition · Computer Science 2025-08-06 Long Qian , Bingke Zhu , Yingying Chen , Ming Tang , Jinqiao Wang