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Using a realistic molecular catalyst system, we conduct scaling studies of ab initio molecular dynamics simulations using the CP2K code on both Intel Xeon CPU and NVIDIA V100 GPU architectures. We explore using process placement and…

Performance · Computer Science 2021-09-13 Dewi Yokelson , Nikolay V. Tkachenko , Robert Robey , Ying Wai Li , Pavel A. Dub

Dynamic simulators are computational models governed by differential equations that evolve over time. They are essential for scientific and engineering applications but remain challenging to emulate because of the unpredictable behavior of…

Computation · Statistics 2025-08-12 Junoh Heo

Prescriptive Process Monitoring (PresPM) is an emerging area within Process Mining, focused on optimizing processes through real-time interventions for effective decision-making. PresPM holds significant promise for organizations seeking…

Databases · Computer Science 2025-07-03 Jakob De Moor , Hans Weytjens , Johannes De Smedt , Jochen De Weerdt

Training machine learning algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from costly…

Hardware Architecture · Computer Science 2022-08-04 Juan Gómez-Luna , Yuxin Guo , Sylvan Brocard , Julien Legriel , Remy Cimadomo , Geraldo F. Oliveira , Gagandeep Singh , Onur Mutlu

The main goal in many fields in the empirical sciences is to discover causal relationships among a set of variables from observational data. PC algorithm is one of the promising solutions to learn underlying causal structure by performing a…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-22 Behrooz Zarebavani , Foad Jafarinejad , Matin Hashemi , Saber Salehkaleybar

Nowadays, data-intensive applications are gaining popularity and, together with this trend, processing-in-memory (PIM)-based systems are being given more attention and have become more relevant. This paper describes an analytical modeling…

Hardware Architecture · Computer Science 2021-07-23 Ronny Ronen , Adi Eliahu , Orian Leitersdorf , Natan Peled , Kunal Korgaonkar , Anupam Chattopadhyay , Ben Perach , Shahar Kvatinsky

This paper presents the Neural Cache architecture, which re-purposes cache structures to transform them into massively parallel compute units capable of running inferences for Deep Neural Networks. Techniques to do in-situ arithmetic in…

Hardware Architecture · Computer Science 2018-05-11 Charles Eckert , Xiaowei Wang , Jingcheng Wang , Arun Subramaniyan , Ravi Iyer , Dennis Sylvester , David Blaauw , Reetuparna Das

AI models are increasing in size and recent advancement in the community has shown that unlike HPC applications where double precision datatype are required, lower-precision datatypes such as fp8 or int4 are sufficient to bring the same…

Performance · Computer Science 2023-10-11 Saeed Maleki

Data availability has dramatically increased in recent years, driving model-based control methods to exploit learning techniques for improving the system description, and thus control performance. Two key factors that hinder the practical…

Systems and Control · Electrical Eng. & Systems 2022-11-22 Elena Arcari , Andrea Carron , Melanie N. Zeilinger

Transformers have achieved remarkable success in sequence modeling and beyond but suffer from quadratic computational and memory complexities with respect to the length of the input sequence. Leveraging techniques include sparse and linear…

Machine Learning · Computer Science 2022-08-02 Tan Nguyen , Richard G. Baraniuk , Robert M. Kirby , Stanley J. Osher , Bao Wang

We introduce GausSim, a novel neural network-based simulator designed to capture the dynamic behaviors of real-world elastic objects represented through Gaussian kernels. We leverage continuum mechanics and treat each kernel as a Center of…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Yidi Shao , Mu Huang , Chen Change Loy , Bo Dai

DL inference queries play an important role in diverse internet services and a large fraction of datacenter cycles are spent on processing DL inference queries. Specifically, the matrix-matrix multiplication (GEMM) operations of…

Hardware Architecture · Computer Science 2020-12-02 Benjamin Y. Cho , Jeageun Jung , Mattan Erez

In long-context large language model (LLM) inference, the prefill stage dominates computation due to self-attention over the complete input context. Sparse attention significantly reduces self-attention computation by limiting each token's…

Hardware Architecture · Computer Science 2026-02-25 Rakshith Jayanth , Viktor Prasanna

CatBoost is a popular machine learning library. CatBoost models are based on oblivious decision trees, making training and evaluation rapid. CatBoost has many applications, and some require low latency and high throughput evaluation. This…

Machine Learning · Computer Science 2022-11-02 Alexey Mironov , Ilnur Khuziev

Predictive Process Monitoring (PPM) aims at leveraging historic process execution data to predict how ongoing executions will continue up to their completion. In recent years, PPM techniques for the prediction of the next activities have…

Artificial Intelligence · Computer Science 2023-12-15 Ivan Donadello , Jonghyeon Ko , Fabrizio Maria Maggi , Jan Mendling , Francesco Riva , Matthias Weidlich

Regardless of the domain, forecasting the future behaviour of a running process instance is a question of interest for decision makers, especially when multiple instances interact. Fostered by the recent advances in machine learning…

Machine Learning · Computer Science 2023-07-04 Stefan Hill , David Fitzek , Patrick Delfmann , Carl Corea

Large language models (LLMs) have shown exceptional performance and vast potential across diverse tasks. However, the deployment of LLMs with high performance in low-resource environments has garnered significant attention in the industry.…

Artificial Intelligence · Computer Science 2024-07-11 Pujiang He , Shan Zhou , Wenhuan Huang , Changqing Li , Duyi Wang , Bin Guo , Chen Meng , Sheng Gui , Weifei Yu , Yi Xie

The growing demand for efficient, high-performance processing in machine learning (ML) and image processing has made hardware accelerators, such as GPUs and Data Streaming Accelerators (DSAs), increasingly essential. These accelerators…

Hardware Architecture · Computer Science 2025-04-17 Qunyou Liu , Marina Zapater , David Atienza

This paper presents a memristor-based compute-in-memory hardware accelerator for on-chip training and inference, focusing on its accuracy and efficiency against device variations, conductance errors, and input noise. Utilizing realistic…

Neural and Evolutionary Computing · Computer Science 2024-08-28 M. Reza Eslami , Dhiman Biswas , Soheib Takhtardeshir , Sarah S. Sharif , Yaser M. Banad

Large Language Models (LLMs) are becoming increasingly data-intensive due to growing model sizes, and they are becoming memory-bound as the context length and, consequently, the key-value (KV) cache size increase. Inference, particularly…

Hardware Architecture · Computer Science 2025-11-18 Khyati Kiyawat , Zhenxing Fan , Yasas Seneviratne , Morteza Baradaran , Akhil Shekar , Zihan Xia , Mingu Kang , Kevin Skadron
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