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The availability of open-source molecular simulation software packages allows scientists and engineers to focus on running and analyzing simulations without having to write, parallelize, and validate their own simulation software. While…

Computational Physics · Physics 2025-10-03 Simon Gravelle , Cecilia M. S. Alvares , Jacob R. Gissinger , Axel Kohlmeyer

Simulation engines are widely adopted in robotics. However, they lack either full simulation control, ROS integration, realistic physics, or photorealism. Recently, synthetic data generation and realistic rendering has advanced tasks like…

Robotics · Computer Science 2023-05-29 Elia Bonetto , Chenghao Xu , Aamir Ahmad

The fully connected conditional random field (CRF) with Gaussian pairwise potentials has proven popular and effective for multi-class semantic segmentation. While the energy of a dense CRF can be minimized accurately using a linear…

Computer Vision and Pattern Recognition · Computer Science 2017-02-15 Thalaiyasingam Ajanthan , Alban Desmaison , Rudy Bunel , Mathieu Salzmann , Philip H. S. Torr , M. Pawan Kumar

Reduced-order models of flame dynamics can be used to predict and mitigate the emergence of thermoacoustic oscillations in the design of gas turbine and rocket engines. This process is hindered by the fact that these models, although often…

Fluid Dynamics · Physics 2020-07-07 Hans Yu , Matthew P. Juniper , Luca Magri

Based on the particle-in-cell (PIC) plasma simulation method, the speed-limited PIC (SLPIC) method delivers faster kinetic plasma simulation in cases where the particle distributions evolve slowly compared with the maximum stable PIC…

Computational Physics · Physics 2019-01-09 Gregory R. Werner , Thomas G. Jenkins , Andrew M. Chap , John R. Cary

We present a Kokkos-accelerated implementation of the Moment Tensor Potential (MTP) for LAMMPS, designed to improve both computational performance and portability across CPUs and GPUs. This package introduces an optimized CPU…

Precise estimation of model inference latency is crucial for time-critical mobile edge applications, enabling devices to calculate latency margins against deadlines and trade them for enhanced model performance or resource savings. However,…

Hardware Architecture · Computer Science 2026-04-20 Jiesong Chen , Jun You , Zhidan Liu , Zhenjiang Li

Optimal engine operation during a transient driving cycle is the key to achieving greater fuel economy, engine efficiency, and reduced emissions. In order to achieve continuously optimal engine operation, engine calibration methods use a…

Machine Learning · Computer Science 2019-09-24 Shashi M. Aithal , Prasanna Balaprakash

The rapid adoption of large language models (LLMs) has led to significant advances in natural language processing and text generation. However, the energy consumed through LLM model inference remains a major challenge for sustainable AI…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-08 Grant Wilkins , Srinivasan Keshav , Richard Mortier

We study thermodynamic processes in contact with a heat bath that may have an arbitrary time-varying periodic temperature profile. Within the framework of stochastic thermodynamics, and for models of thermo-dynamic engines in the idealized…

Optimization and Control · Mathematics 2022-04-06 Olga Movilla Miangolarra , Rui Fu , Amirhossein Taghvaei , Yongxin Chen , Tryphon T. Georgiou

In this paper, we propose FusionCIM, an operator-fusion-driven compute-in-memory (CIM) accelerator architecture for efficient and scalable LLM inference, with three key innovations: (1) a hybrid CIM pipeline architecture that maps QKT…

Hardware Architecture · Computer Science 2026-04-29 Zihao Xuan , Jia Chen , Yewen Li , Wei Xuan , Hegan Chen , Xiao Huo , Fengbin Tu

Simultaneous Localization and Mapping (SLAM) estimates agents' trajectories and constructs maps, and localization is a fundamental kernel in autonomous machines at all computing scales, from drones, AR, VR to self-driving cars. In this…

Hardware Architecture · Computer Science 2022-04-18 Qiang Liu , Zishen Wan , Bo Yu , Weizhuang Liu , Shaoshan Liu , Arijit Raychowdhury

A low-latency and energy-efficient tensor algebra accelerator design must optimize how data movement and operations are scheduled (i.e., mapped) in the accelerator architecture. A key mapping optimization is fusion, meaning holding data…

Hardware Architecture · Computer Science 2026-05-05 Tanner Andrulis , Michael Gilbert , Vivienne Sze , Joel S. Emer

Data movement between memory and processors is a major bottleneck in modern computing systems. The processing-in-memory (PIM) paradigm aims to alleviate this bottleneck by performing computation inside memory chips. Real PIM hardware (e.g.,…

Hardware Architecture · Computer Science 2023-10-04 Jinfan Chen , Juan Gómez-Luna , Izzat El Hajj , Yuxin Guo , Onur Mutlu

We present finite-range embeddings (FiRE), a novel wave function ansatz for accurate large-scale ab-initio electronic structure calculations. Compared to contemporary neural-network wave functions, FiRE reduces the asymptotic complexity of…

Computational Physics · Physics 2025-04-09 Michael Scherbela , Nicholas Gao , Philipp Grohs , Stephan Günnemann

Despite the impressive performance of LLMs, their widespread adoption faces challenges due to substantial computational and memory requirements during inference. Recent advancements in model compression and system-level optimization methods…

Machine Learning · Computer Science 2024-04-25 Arnav Chavan , Raghav Magazine , Shubham Kushwaha , Mérouane Debbah , Deepak Gupta

We develop a perturbation theory of quantum (and classical) master equations with slowly varying parameters, applicable to systems which are externally controlled on a time scale much longer than their characteristic relaxation time. We…

Quantum Physics · Physics 2017-08-09 Vasco Cavina , Andrea Mari , Vittorio Giovannetti

We develop a scalable, computationally efficient method for the task of energy disaggregation for home appliance monitoring. In this problem the goal is to estimate the energy consumption of each appliance over time based on the total…

Machine Learning · Computer Science 2016-11-01 Kiarash Shaloudegi , András György , Csaba Szepesvári , Wilsun Xu

Home Energy Management Systems (HEMSs) help households tailor their electricity usage based on power system signals such as energy prices. This technology helps to reduce energy bills and offers greater demand-side flexibility that supports…

Artificial Intelligence · Computer Science 2025-06-23 François Michelon , Yihong Zhou , Thomas Morstyn

In this paper we propose and test the validity of simple and easy-to-implement algorithms within the immersed boundary framework geared towards large scale simulations involving thousands of deformable bodies in highly turbulent flows.…

Computational Physics · Physics 2018-09-26 Vamsi Spandan , Detlef Lohse , Marco D. de Tullio , Roberto Verzicco