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Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become…

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

Machine Learning · Computer Science 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

Future short or long-term space missions require a new generation of monitoring and diagnostic systems due to communication impasses as well as limitations in specialized crew and equipment. Machine learning supported diagnostic systems…

Machine Learning · Computer Science 2021-06-11 Athanasios Vlontzos , Gabriel Sutherland , Siddha Ganju , Frank Soboczenski

The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…

High energy physics (HEP) experiments at the LHC generate data at a rate of $\mathcal{O}(10)$ Terabits per second. This data rate is expected to exponentially increase as experiments will be upgraded in the future to achieve higher…

High Energy Physics - Phenomenology · Physics 2022-10-25 Dhananjay Saikumar

We present a fast simulation application based on a Deep Neural Network, designed to create large analysis-specific datasets. Taking as an example the generation of W+jet events produced in sqrt(s)= 13 TeV proton-proton collisions, we train…

Computational Physics · Physics 2020-10-06 Cheng Chen , Olmo Cerri , Thong Q. Nguyen , Jean-Roch Vlimant , Maurizio Pierini

Machine learning plays a critical role in extracting meaningful information out of the zetabytes of sensor data collected every day. For some applications, the goal is to analyze and understand the data to identify trends (e.g.,…

Computer Vision and Pattern Recognition · Computer Science 2017-10-18 Vivienne Sze , Yu-Hsin Chen , Joel Emer , Amr Suleiman , Zhengdong Zhang

We build a general quantum state tomography framework that makes use of machine learning techniques to reconstruct quantum states from a given set of coincidence measurements. For a wide range of pure and mixed input states we demonstrate…

Quantum Physics · Physics 2020-06-09 Sanjaya Lohani , Brian T. Kirby , Michael Brodsky , Onur Danaci , Ryan T. Glasser

The interpretation of Large Hadron Collider (LHC) data in the framework of Beyond the Standard Model (BSM) theories is hampered by the need to run computationally expensive event generators and detector simulators. Performing statistically…

High Energy Physics - Phenomenology · Physics 2016-11-14 Gianfranco Bertone , Marc Peter Deisenroth , Jong Soo Kim , Sebastian Liem , Roberto Ruiz de Austri , Max Welling

In the next decade, the demands for computing in large scientific experiments are expected to grow tremendously. During the same time period, CPU performance increases will be limited. At the CERN Large Hadron Collider (LHC), these two…

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours…

Computational Physics · Physics 2023-02-03 Fady Bishara , Ayan Paul , Jennifer Dy

Recent progress in machine learning has sparked increased interest in utilizing this technology to predict the outcomes of chemical reactions. The ultimate aim of such endeavors is to develop a universal model that can predict products for…

Chemical Physics · Physics 2025-07-03 Daniel Julian , Jesús Pérez-Ríos

The accelerated development of machine learning methods, primarily deep learning, are causal to the recent breakthroughs in medical image analysis and computer aided intervention. The resource consumption of deep learning models in terms of…

Machine Learning · Computer Science 2024-02-06 Raghavendra Selvan , Julian Schön , Erik B Dam

Machine learning algorithms learn a desired input-output relation from examples in order to interpret new inputs. This is important for tasks such as image and speech recognition or strategy optimisation, with growing applications in the IT…

Quantum Physics · Physics 2015-05-27 M. Schuld , I. Sinayskiy , F. Petruccione

Photo-induced processes are fundamental in nature, but accurate simulations are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales. Here we introduce a method…

We develop, discuss, and compare several inference techniques to constrain theory parameters in collider experiments. By harnessing the latent-space structure of particle physics processes, we extract extra information from the simulator.…

High Energy Physics - Phenomenology · Physics 2018-09-19 Johann Brehmer , Kyle Cranmer , Gilles Louppe , Juan Pavez

Machine learning, as a tool to learn and model complicated (non)linear relationships between input and output data sets, has shown preliminary success in some HPC problems. Using machine learning, scientists are able to augment existing…

Performance · Computer Science 2018-12-19 Wenqian Dong , Anzheng Guolu , Dong Li

An array of large observational programs using ground-based and space-borne telescopes is planned in the next decade. The forthcoming wide-field sky surveys are expected to deliver a sheer volume of data exceeding an exabyte. Processing the…

Instrumentation and Methods for Astrophysics · Physics 2023-05-26 Kana Moriwaki , Takahiro Nishimichi , Naoki Yoshida

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

High Energy Physics - Phenomenology · Physics 2019-01-30 Christoph Englert , Peter Galler , Philip Harris , Michael Spannowsky