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Deep learning methods for material property prediction have been widely explored to advance materials discovery. However, the prevailing pre-train then fine-tune paradigm often fails to address the inherent diversity and disparity of…

PolyMAPS is an open-source library that helps researchers to initialize LAMMPS molecular dynamics simulations. It introduces an integrated workflow by combining preparation, launching, visualization, and analysis into a single Jupyter…

Chemical Physics · Physics 2023-11-14 Xiaoli Yan , Santanu Chaudhuri

While LLM-Based agents, which use external tools to solve complex problems, have made significant progress, benchmarking their ability is challenging, thereby hindering a clear understanding of their limitations. In this paper, we propose…

Computation and Language · Computer Science 2024-11-07 Chuyu Zhang , Songyang Zhang , Yingfan Hu , Haowen Shen , Kuikun Liu , Zerun Ma , Fengzhe Zhou , Wenwei Zhang , Xuming He , Dahua Lin , Kai Chen

The fortran version of the AcerDET package has been published in [1], and used in the multiple publications on the predictions for physics at LHC. The package provides, starting from list of particles in the event, the list of reconstructed…

High Energy Physics - Phenomenology · Physics 2015-07-06 Patryk Mikos , Elzbieta Richter-Was

Atmospheric tomography, i.e. the reconstruction of the turbulence profile in the atmosphere, is a challenging task for adaptive optics (AO) systems of the next generation of extremely large telescopes. Within the community of AO the first…

Instrumentation and Methods for Astrophysics · Physics 2020-11-16 Ronny Ramlau , Bernadett Stadler

This document summarizes the main concepts of the finite element (FE) theory and constitutive relations as implemented in the open-source code phase-field multiphysics materials simulator PHIMATS https://github.com/ahcomat/PHIMATS. PHIMATS…

Numerical Analysis · Mathematics 2025-10-15 Abdelrahman Hussein

Large Language Models (LLMs) have reshaped the landscape of artificial intelligence by demonstrating exceptional performance across various tasks. However, substantial computational requirements make their deployment challenging on devices…

Machine Learning · Computer Science 2025-05-05 Chi-Heng Lin , Shangqian Gao , James Seale Smith , Abhishek Patel , Shikhar Tuli , Yilin Shen , Hongxia Jin , Yen-Chang Hsu

Multiple Object Tracking (MOT) has rapidly progressed in recent years. Existing works tend to design a single tracking algorithm to perform both detection and association. Though ensemble learning has been exploited in many tasks, i.e,…

Computer Vision and Pattern Recognition · Computer Science 2023-02-20 Yunhao Du , Zihang Liu , Fei Su

Creating interactive scenes often involves complex programming tasks. Although large language models (LLMs) like ChatGPT can generate code from natural language, their output is often error-prone, particularly when scripting interactions…

Human-Computer Interaction · Computer Science 2025-02-10 Hui Ye , Chufeng Xiao , Jiaye Leng , Pengfei Xu , Hongbo Fu

The family of Multiscale Hybrid-Mixed (MHM) finite element methods has received considerable attention from the mathematics and engineering community in the last few years. The MHM methods allow solving highly heterogeneous problems on…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-03-31 Antonio Tadeu A. Gomes , Weslley S. Pereira , Frederic Valentin , Diego Paredes

In this paper, a comprehensive performance review of a MPI-based high-order spectral and mortar element method C++ toolbox is presented. The focus is put on the performance evaluation of several aspects with a particular emphasis on the…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-09-10 Roland Bouffanais , Vincent Keller , Ralf Gruber , Michel O. Deville

The quadratic complexity and indefinitely growing key-value (KV) cache of standard Transformers pose a major barrier to long-context processing. To overcome this, we introduce the Collaborative Memory Transformer (CoMeT), a novel…

Machine Learning · Computer Science 2026-04-20 Runsong Zhao , Shilei Liu , Jiwei Tang , Langming Liu , Haibin Chen , Weidong Zhang , Yujin Yuan , Tong Xiao , Jingbo Zhu , Wenbo Su , Bo Zheng

Partial Differential Equations (PDEs) are fundamental for modeling physical systems, yet solving them in a generic and efficient manner using machine learning-based approaches remains challenging due to limited multi-input and multi-scale…

Machine Learning · Computer Science 2025-08-12 Yichen Luo , Jia Wang , Dapeng Lan , Yu Liu , Zhibo Pang

Numerical simulations are ubiquitous in mathematics and computational science. Several industrial and clinical applications entail modeling complex multiphysics systems that evolve over a variety of spatial and temporal scales. This study…

Mathematical Software · Computer Science 2022-11-14 Pasquale Claudio Africa

Tool learning enables the Large Language Models (LLMs) to interact with the external environment by invoking tools, enriching the accuracy and capability scope of LLMs. However, previous works predominantly focus on improving model's…

Computation and Language · Computer Science 2024-09-24 Yupu Hao , Pengfei Cao , Zhuoran Jin , Huanxuan Liao , Yubo Chen , Kang Liu , Jun Zhao

We describe the design and implementation of detector-bias emulation in the Rivet MC event analysis system. Implemented using C++ efficiency and kinematic smearing functors, it allows detector effects to be specified within an analysis…

High Energy Physics - Phenomenology · Physics 2020-02-12 Andy Buckley , Deepak Kar , Karl Nordstrom

The Locust simulation package is a new C++ software tool developed to simulate the measurement of time-varying electromagnetic fields using RF detection techniques. Modularity and flexibility allow for arbitrary input signals, while…

The emergence of foundation models, such as the Segment Anything Model (SAM), has sparked interest in Parameter-Efficient Fine-Tuning (PEFT) methods that tailor these large models to application domains outside their training data. However,…

Computer Vision and Pattern Recognition · Computer Science 2024-05-02 Rajat Sahay , Andreas Savakis

The version 3.0 of the DELPHES fast-simulation is presented. The goal of DELPHES is to allow the simulation of a multipurpose detector for phenomenological studies. The simulation includes a track propagation system embedded in a magnetic…

High Energy Physics - Experiment · Physics 2014-03-24 J. de Favereau , C. Delaere , P. Demin , A. Giammanco , V. Lemaître , A. Mertens , M. Selvaggi

Recently reconstruction-based deep models have been widely used for time series anomaly detection, but as their capacity and generalization capability increase, these models tend to over-generalize, often reconstructing unseen anomalies…

Machine Learning · Computer Science 2026-01-30 Samuel Yoon , Jongwon Kim , Juyoung Ha , Young Myoung Ko