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Highly accurate force fields are a mandatory requirement to generate predictive simulations. In this regard, Machine Learning Force Fields (MLFFs) have emerged as a revolutionary approach in computational chemistry and materials science,…

Materials Science · Physics 2025-03-11 Carlos A. Vital , Román J. Armenta-Rico , Huziel E. Sauceda

For over a decade now, physical and energy constraints have limited clock speed improvements in commodity microprocessors. Instead, chipmakers have been pushed into producing lower-power, multi-core processors such as GPGPU, ARM and Intel…

We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

Chemical Physics · Physics 2025-09-01 Jan G. Rittig , Manuel Dahmen , Martin Grohe , Philippe Schwaller , Alexander Mitsos

Recent progress in artificial intelligence (AI) and high-performance computing (HPC) have brought potentially game-changing opportunities in accelerating reactive flow simulations. In this study, we introduce an open-source computational…

Computational Engineering, Finance, and Science · Computer Science 2023-12-22 Runze Mao , Yingrui Wang , Min Zhang , Han Li , Jiayang Xu , Xinyu Dong , Yan Zhang , Zhi X. Chen

Partial observations of continuous time-series dynamics at arbitrary time stamps exist in many disciplines. Fitting this type of data using statistical models with continuous dynamics is not only promising at an intuitive level but also has…

Machine Learning · Computer Science 2021-10-29 Ruizhi Deng , Marcus A. Brubaker , Greg Mori , Andreas M. Lehrmann

Rapidly applying the effects of detector response to physics objects (e.g. electrons, muons, showers of particles) is essential in high energy physics. Currently available tools for the transformation from truth-level physics objects to…

Data Analysis, Statistics and Probability · Physics 2020-07-07 D. Benjamin , S. V. Chekanov , W. Hopkins , Y. Li , J. R. Love

This paper concerns the problem of multi-object tracking based on the min-cost flow (MCF) formulation, which is conventionally studied as an instance of linear program. Given its computationally tractable inference, the success of MCF…

Computer Vision and Pattern Recognition · Computer Science 2022-03-31 Shuai Li , Yu Kong , Hamid Rezatofighi

Particle learning (PL) provides state filtering, sequential parameter learning and smoothing in a general class of state space models. Our approach extends existing particle methods by incorporating the estimation of static parameters via a…

Methodology · Statistics 2010-11-05 Carlos M. Carvalho , Michael S. Johannes , Hedibert F. Lopes , Nicholas G. Polson

Over the last ten years, the popularity of Machine Learning (ML) has grown exponentially in all scientific fields, including particle physics. The industry has also developed new powerful tools that, imported into academia, could…

High Energy Physics - Experiment · Physics 2023-03-01 Stefano Vergani , Attila Bagoly

As the Large Hadron Collider (LHC) continues its upward progression in energy and luminosity towards the planned High-Luminosity LHC (HL-LHC) in 2025, the challenges of the experiments in processing increasingly complex events will also…

Instrumentation and Detectors · Physics 2022-10-05 Paul Lujan , Valerie Halyo

Fitting probabilistic models to data is often difficult, due to the general intractability of the partition function. We propose a new parameter fitting method, Minimum Probability Flow (MPF), which is applicable to any parametric model. We…

Machine Learning · Computer Science 2020-07-21 Jascha Sohl-Dickstein , Peter Battaglino , Michael R. DeWeese

We explore an online reinforcement learning (RL) paradigm to dynamically optimize parallel particle tracing performance in distributed-memory systems. Our method combines three novel components: (1) a work donation algorithm, (2) a…

Graphics · Computer Science 2022-02-14 Jiayi Xu , Hanqi Guo , Han-Wei Shen , Mukund Raj , Skylar W. Wurster , Tom Peterka

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for…

Instrumentation and Detectors · Physics 2026-03-12 Julia Gonski , Jenni Ott , Shiva Abbaszadeh , Sagar Addepalli , Matteo Cremonesi , Jennet Dickinson , Giuseppe Di Guglielmo , Erdem Yigit Ertorer , Lindsey Gray , Ryan Herbst , Christian Herwig , Tae Min Hong , Benedikt Maier , Maryam Bayat Makou , David Miller , Mark S. Neubauer , Cristián Peña , Dylan Rankin , Seon-Hee , Seo , Giordon Stark , Alexander Tapper , Audrey Corbeil Therrien , Ioannis Xiotidis , Keisuke Yoshihara , G Abarajithan , Sagar Addepalli , Nural Akchurin , Carlos Argüelles , Saptaparna Bhattacharya , Lorenzo Borella , Christian Boutan , Tom Braine , James Brau , Martin Breidenbach , Antonio Chahine , Talal Ahmed Chowdhury , Yuan-Tang Chou , Seokju Chung , Alberto Coppi , Mariarosaria D'Alfonso , Abhilasha Dave , Chance Desmet , Angela Di Fulvio , Karri DiPetrillo , Javier Duarte , Auralee Edelen , Jan Eysermans , Yongbin Feng , Emmett Forrestel , Dolores Garcia , Loredana Gastaldo , Julián García Pardiñas , Lino Gerlach , Loukas Gouskos , Katya Govorkova , Carl Grace , Christopher Grant , Philip Harris , Ciaran Hasnip , Timon Heim , Abraham Holtermann , Tae Min Hong , Gian Michele Innocenti , Koji Ishidoshiro , Miaochen Jin , Jyothisraj Johnson , Stephen Jones , Andreas Jung , Georgia Karagiorgi , Ryan Kastner , Nicholas Kamp , Doojin Kim , Kyoungchul Kong , Katie Kudela , Jelena Lalic , Bo-Cheng Lai , Yun-Tsung Lai , Tommy Lam , Jeffrey Lazar , Aobo Li , Zepeng Li , Haoyun Liu , Vladimir Lončar , Luca Macchiarulo , Christopher Madrid , Benedikt Maier , Zhenghua Ma , Prashansa Mukim , Mark S. Neubauer , Victoria Nguyen , Sungbin Oh , Isobel Ojalvo , Hideyoshi Ozaki , Simone Pagan Griso , Myeonghun Park , Christoph Paus , Santosh Parajuli , Benjamin Parpillon , Sara Pozzi , Ema Puljak , Benjamin Ramhorst , Amy Roberts , Larry Ruckman , Kate Scholberg , Sebastian Schmitt , Noah Singer , Eluned Anne Smith , Alexandre Sousa , Michael Spannowsky , Sioni Summers , Yanwen Sun , Daniel Tapia Takaki , Antonino Tumeo , Caterina Vernieri , Belina von Krosigk , Yash Vora , Linyan Wan , Michael H. L. S. Wang , Amanda Weinstein , Andy White , Simon Williams , Felix Yu

There has been considerable recent activity applying deep convolutional neural nets (CNNs) to data from particle physics experiments. Current approaches on ATLAS/CMS have largely focussed on a subset of the calorimeter, and for identifying…

High Energy Physics - Experiment · Physics 2017-11-30 Wahid Bhimji , Steven Andrew Farrell , Thorsten Kurth , Michela Paganini , Prabhat , Evan Racah

Neural Fields (NF) have gained prominence as a versatile framework for complex data representation. This work unveils a new problem setting termed \emph{Meta-Continual Learning of Neural Fields} (MCL-NF) and introduces a novel strategy that…

Artificial Intelligence · Computer Science 2026-02-24 Seungyoon Woo , Junhyeog Yun , Gunhee Kim

Machine Learning (ML) techniques for Optimal Power Flow (OPF) problems have recently garnered significant attention, reflecting a broader trend of leveraging ML to approximate and/or accelerate the resolution of complex optimization…

Machine Learning · Computer Science 2025-05-30 Michael Klamkin , Mathieu Tanneau , Pascal Van Hentenryck

High energy physics experiments, in particular experiments at the LHC, require the reconstruction of charged particle trajectories. Methods of reconstructing such trajectories have been known for decades, yet the applications at High…

Instrumentation and Detectors · Physics 2022-09-07 K. Topolnicki , T. Bold

In these proceedings we review the physics objects used by the CMS experiment during LHC Run 3 at 13.6 TeV, including charged leptons, photons, jets, and missing transverse momentum. Their performance and calibration is critical for physics…

High Energy Physics - Experiment · Physics 2026-01-28 Markus Seidel

Federated learning (FL) provides a communication-efficient approach to solve machine learning problems concerning distributed data, without sending raw data to a central server. However, existing works on FL only utilize first-order…

Machine Learning · Computer Science 2019-10-10 Wei Liu , Li Chen , Yunfei Chen , Wenyi Zhang

Particle Filtering (PF) methods are an established class of procedures for performing inference in non-linear state-space models. Resampling is a key ingredient of PF, necessary to obtain low variance likelihood and states estimates.…

Machine Learning · Statistics 2021-07-01 Adrien Corenflos , James Thornton , George Deligiannidis , Arnaud Doucet
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