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Molecular and lattice vibrations are able to couple to the spin of electrons and lead to their relaxation and decoherence. Ab initio simulations have played a fundamental role in shaping our understanding of this process but further…

Materials Science · Physics 2024-10-14 Valerio Briganti , Alessandro Lunghi

To address the challenges associated with data processing at scale, we propose Dataverse, a unified open-source Extract-Transform-Load (ETL) pipeline for large language models (LLMs) with a user-friendly design at its core. Easy addition of…

Computation and Language · Computer Science 2025-03-05 Hyunbyung Park , Sukyung Lee , Gyoungjin Gim , Yungi Kim , Dahyun Kim , Chanjun Park

The hierarchical equations of motion (HEOM) approach can describe the reduced dynamics of a system simultaneously coupled to multiple bosonic and fermionic environments. The complexity of exactly describing the system-environment…

In large language models like the Generative Pre-trained Transformer, the Mixture of Experts paradigm has emerged as a powerful technique for enhancing model expressiveness and accuracy. However, deploying GPT MoE models for parallel…

Machine Learning · Computer Science 2024-01-18 Jinghan Yao , Quentin Anthony , Aamir Shafi , Hari Subramoni , Dhabaleswar K. , Panda

We evaluate Julia as a single language and ecosystem paradigm powered by LLVM to develop workflow components for high-performance computing. We run a Gray-Scott, 2-variable diffusion-reaction application using a memory-bound, 7-point…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-29 William F. Godoy , Pedro Valero-Lara , Caira Anderson , Katrina W. Lee , Ana Gainaru , Rafael Ferreira da Silva , Jeffrey S. Vetter

Beyond the conventional trial-and-error method, machine learning offers a great opportunity to accelerate the discovery of functional materials, but still often suffers from difficulties such as limited materials data and unbalanced…

Materials Science · Physics 2021-08-23 Xing-Yu Ma , Hou-Yi Lyu , Kuan-Rong Hao , Zhen-Gang Zhu , Qing-Bo Yan , Gang Su

In this paper we introduce JuliaSim, a high-performance programming environment designed to blend traditional modeling and simulation with machine learning. JuliaSim can build accelerated surrogates from component-based models, such as…

Computational Engineering, Finance, and Science · Computer Science 2021-05-14 Chris Rackauckas , Ranjan Anantharaman , Alan Edelman , Shashi Gowda , Maja Gwozdz , Anand Jain , Chris Laughman , Yingbo Ma , Francesco Martinuzzi , Avik Pal , Utkarsh Rajput , Elliot Saba , Viral B. Shah

Active learning (AL) is a powerful sequential optimization approach that has shown great promise in the discovery of new materials. However, a major challenge remains the acquisition of the initial data and the development of workflows to…

Materials Science · Physics 2024-11-22 Mohnish Harwani , Juan C. Verduzco , Brian H. Lee , Alejandro Strachan

Recently, there has been a growing trend of employing large language models (LLMs) to judge the quality of other LLMs. Many studies have adopted closed-source models, mainly using GPT-4 as the evaluator. However, due to the closed-source…

Artificial Intelligence · Computer Science 2024-10-15 Yijie Li , Yuan Sun

Scaling up the deployment of autonomous excavators is of great economic and societal importance. Yet it remains a challenging problem, as effective systems must robustly handle unseen worksite conditions and new hardware configurations.…

Robotics · Computer Science 2025-09-23 Yifan Zhai , Lorenzo Terenzi , Patrick Frey , Diego Garcia Soto , Pascal Egli , Marco Hutter

We deploy and demonstrate the CoinTossX low-latency, high-throughput, open-source matching engine with orders sent using the Julia and Python languages. We show how this can be deployed for small-scale local desk-top testing and discuss a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-24 Ivan Jericevich , Dharmesh Sing , Tim Gebbie

We present FlexLLM, a composable High-Level Synthesis (HLS) library for rapid development of domain-specific LLM accelerators. FlexLLM exposes key architectural degrees of freedom for stage-customized inference, enabling hybrid designs that…

Hardware Architecture · Computer Science 2026-01-23 Jiahao Zhang , Zifan He , Nicholas Fraser , Michaela Blott , Yizhou Sun , Jason Cong

In the field of Artificial Intelligence (AI) and Machine Learning (ML), the approximation of unknown target functions $y=f(\mathbf{x})$ using limited instances $S={(\mathbf{x^{(i)}},y^{(i)})}$, where $\mathbf{x^{(i)}} \in D$ and $D$…

Machine Learning · Computer Science 2023-08-14 Pablo Moscato , Mohammad Nazmul Haque , Kevin Huang , Julia Sloan , Jon C. de Oliveira

The growing proliferation of FPGAs and High-level Synthesis (HLS) tools has led to a large interest in designing hardware accelerators for complex operations and algorithms. However, existing HLS toolflows typically require a significant…

Software Engineering · Computer Science 2022-02-18 Benjamin Biggs , Ian McInerney , Eric C. Kerrigan , George A. Constantinides

Today's scientific challenges, from climate modeling to Inertial Confinement Fusion design to novel material design, require exploring huge design spaces. In order to enable high-impact scientific discovery, we need to scale up our ability…

Edge inference for large language models (LLM) offers secure, low-latency, and cost-effective inference solutions. We emphasize that an edge accelerator should achieve high area efficiency and minimize external memory access (EMA) during…

Hardware Architecture · Computer Science 2025-07-15 Chun-Ting Chen , HanGyeol Mun , Jian Meng , Mohamed S. Abdelfattah , Jae-sun Seo

We present example applications of an approach to first-principles calculations of vibrational properties of materials implemented within the Exabyte.io platform. We deploy models based on the Density Functional Perturbation Theory to…

Materials Science · Physics 2018-08-31 Timur Bazhirov , E. X. Abot

In this work, we present LensingFlow. This is an implementation of an automated workflow to search for evidence of gravitational lensing in a large series of gravitational wave events. This workflow conducts searches for evidence in all…

HRA (Human Reliability Analysis) data is crucial for advancing HRA methodologies. however, existing data collection methods lack the necessary granularity, and most approaches fail to capture dynamic features. Additionally, many methods…

Artificial Intelligence · Computer Science 2025-02-04 Xingyu Xiao , Peng Chen , Qianqian Jia , Jiejuan Tong , Jingang Liang , Haitao Wang