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The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

Generative Adversarial Networks are notoriously challenging to train. The underlying minmax optimization is highly susceptible to the variance of the stochastic gradient and the rotational component of the associated game vector field. To…

Machine Learning · Statistics 2021-06-24 Tatjana Chavdarova , Matteo Pagliardini , Sebastian U. Stich , Francois Fleuret , Martin Jaggi

Neural Networks (NNs) have become the mainstream technology in the artificial intelligence (AI) renaissance over the past decade. Among different types of neural networks, convolutional neural networks (CNNs) have been widely adopted as…

Emerging Technologies · Computer Science 2019-12-05 Armin Mehrabian , Mario Miscuglio , Yousra Alkabani , Volker J. Sorger , Tarek El-Ghazawi

Mass spectrometry (MS) is essential for proteomics and metabolomics but faces impending challenges in efficiently processing the vast volumes of data. This paper introduces SpecPCM, an in-memory computing (IMC) accelerator designed to…

Hardware Architecture · Computer Science 2024-11-18 Keming Fan , Ashkan Moradifirouzabadi , Xiangjin Wu , Zheyu Li , Flavio Ponzina , Anton Persson , Eric Pop , Tajana Rosing , Mingu Kang

In this work, we demonstrate the deployment of a hardware-accelerated machine learning (ML) inference system integrated into a real-time processing at the DIII-D tokamak fusion reactor. The team has successfully deployed an AMD/Xilinx…

Beam loss (BLM) and beam current monitors (BCM) are ubiquitous at particle accelerator around the world. These simple devices provide non-invasive high level beam measurements, but give no insight into the detailed 6D (x,y,z,px,py,pz) beam…

Accelerator Physics · Physics 2025-02-27 Alexander Scheinker , Alan Williams

The Main Injector (MI) was commissioned using data acquisition systems developed for the Fermilab Main Ring in the 1980s. New VME-based instrumentation was commissioned in 2006 for beam loss monitors (BLM)[2], which provided a more…

Particle-in-Cell (PIC) methods are widely used computational tools for fluid and kinetic plasma modeling. While both the fluid and kinetic PIC approaches have been successfully used to target either kinetic or fluid simulations, little was…

Beam steering involves the calibration of the angle and position at which a particle accelerator's electron beam is incident upon the x-ray target with respect to the rotation axis of the collimator. Beam Steering is an essential task for…

Accelerator Physics · Physics 2024-08-27 Dexter Allen , Isaac Kante , Dorian Bohler

Reactive molecular dynamics simulations are computationally demanding. Reaching spatial and temporal scales where interesting scientific phenomena can be observed requires efficient and scalable implementations on modern hardware. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-06-26 Hasan Metin Aktulga , Christopher Knight , Paul Coffman , Kurt A. O'Hearn , Tzu-Ray Shan , Wei Jiang

We outline a physics program at Fermilab that would significantly improve our ability to understand the behavior of hadronic showers in calorimeters. This would involve a two-pronged approach designed to measure particle production cross…

Instrumentation and Detectors · Physics 2007-09-07 Rajendran Raja

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest…

Computational Engineering, Finance, and Science · Computer Science 2015-06-03 Páll Szilárd , Mark James Abraham , Carsten Kutzner , Berk Hess , Erik Lindahl

The Particle-In-Cell (PIC) method is a computational technique widely used in plasma physics to model plasmas at the kinetic level. In this work, we present our effort to prepare the semi-implicit energy-conserving PIC code ECsim for…

Integrated sensing and communication (ISAC) technology has been explored as a potential advancement for future wireless networks, striving to effectively use spectral resources for both communication and sensing. The integration of…

Signal Processing · Electrical Eng. & Systems 2025-02-25 Alice Faisal , Ibrahim Al-Nahhal , Kyesan Lee , Octavia A. Dobre , Hyundong Shin

The Linear Accelerator 4 (LINAC 4) is designed to accelerate negative hydrogen ions to high energies for injection into the Large Hadron Collider (LHC), where it has been supplying proton beams since 2020. LINAC 4 accelerates negative…

Accelerator Physics · Physics 2025-03-04 D. M. C. M. K. Dissanayake , N. Wickramage , K. M. Liyanage , K. A. S. Lakshan

Particle-in-cell codes are the most widely used simulation tools for kinetic studies of ultra-intense laser-plasma interactions. Using the motion of a single electron in a plane electromagnetic wave as a benchmark problem, we show…

Plasma Physics · Physics 2021-04-07 Kavin Tangtartharakul , Guangye Chen , Alexey Arefiev

This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…

Chemical Physics · Physics 2025-04-01 Cheng Fan , Maodong Li , Sihao Yuan , Zhaoxin Xie , Dechin Chen , Yi Isaac Yang , Yi Qin Gao

The relentless pursuit of enhancing Large Language Models (LLMs) has led to the advent of Super Retrieval-Augmented Generation (Super RAGs), a novel approach designed to elevate the performance of LLMs by integrating external knowledge…

Information Retrieval · Computer Science 2024-04-16 Ayush Thakur , Raghav Gupta

Quantum centric supercomputing (QCSC) framework, such as sample-based quantum diagonalization (SQD) holds immense promise toward achieving practical quantum utility to solve challenging problems. QCSC leverages quantum computers to perform…

Retrieval-augmented generation (RAG) can enhance the generation quality of large language models (LLMs) by incorporating external token databases. However, retrievals from large databases can constitute a substantial portion of the overall…

Computation and Language · Computer Science 2024-03-12 Wenqi Jiang , Shuai Zhang , Boran Han , Jie Wang , Bernie Wang , Tim Kraska