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Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…

Nonnegative matrix factorization (NMF) is a powerful technique for dimension reduction, extracting latent factors and learning part-based representation. For large datasets, NMF performance depends on some major issues: fast algorithms,…

Optimization and Control · Mathematics 2015-07-01 Duy-Khuong Nguyen , Tu-Bao Ho

Detailed Computational Fluid Dynamics (CFD) simulations are too computationally expensive for the real-time control and design optimization of multiphase flow reactors. To address these limitations, we introduce CLARA, a software toolbox…

We introduce the Fast Free Memory method (FFM), a new fast method for the numerical evaluation of convolution products. Inheriting from the Fast Multipole Method, the FFM is a descent-only and kernel-independent algorithm. We give the…

Numerical Analysis · Mathematics 2019-09-13 Matthieu Aussal , Marc Bakry

In this article we propose and develop a new methodology which is inspired from Kalman filtering and multilevel Monte Carlo (MLMC), entitle the multilevel localized ensemble Kalman--Bucy Filter (MLLEnKBF). Based on the work of Chada et al.…

Computation · Statistics 2025-02-25 Neil K. Chada

Ensemble Kalman methods solve problems in domains such as filtering and inverse problems with interacting particles that evolve over time. For computationally expensive problems, the cost of attaining a high accuracy quickly becomes…

Numerical Analysis · Mathematics 2025-02-18 Arne Bouillon , Toon Ingelaere , Giovanni Samaey

Automated Machine Learning (AutoML) techniques have recently been introduced to design Collaborative Filtering (CF) models in a data-specific manner. However, existing works either search architectures or hyperparameters while ignoring the…

Information Retrieval · Computer Science 2023-07-21 Yan Wen , Chen Gao , Lingling Yi , Liwei Qiu , Yaqing Wang , Yong Li

Latent factor models that integrate data from multiple sources/studies or modalities have garnered considerable attention across various disciplines. However, existing methods predominantly focus either on multi-study integration or…

Methodology · Statistics 2025-07-15 Wei Liu , Qingzhi Zhong

In next-generation communications, massive machine-type communications (mMTC) induce severe burden on base stations. To address such an issue, automatic modulation classification (AMC) can help to reduce signaling overhead by blindly…

Signal Processing · Electrical Eng. & Systems 2020-02-10 Chieh-Fang Teng , Ching-Yao Chou , Chun-Hsiang Chen , An-Yeu Wu

Multi-Chip-Modules (MCMs) reduce the design and fabrication cost of machine learning (ML) accelerators while delivering performance and energy efficiency on par with a monolithic large chip. However, ML compilers targeting MCMs need to…

Continual learning (CL) aims to incrementally train a model on a sequence of tasks while retaining performance on prior ones. However, storing and replaying data is often infeasible due to privacy or security constraints and impractical for…

Machine Learning · Computer Science 2025-10-31 Ruilin Tong , Haodong Lu , Yuhang Liu , Dong Gong

As vision-language models (VLMs) tackle increasingly complex and multimodal tasks, the rapid growth of Key-Value (KV) cache imposes significant memory and computational bottlenecks during inference. While Multi-Head Latent Attention (MLA)…

Computer Vision and Pattern Recognition · Computer Science 2026-01-19 Xiaoran Fan , Zhichao Sun , Tao Ji , Lixing Shen , Tao Gui

While Transformer networks benefit from a global receptive field, their quadratic cost relative to sequence length restricts their application to long sequences and high-resolution inputs. We introduce Fast Multipole Attention (FMA), a…

Computation and Language · Computer Science 2025-09-19 Yanming Kang , Giang Tran , Hans De Sterck

We introduce a Markov Chain Monte Carlo (MCMC) algorithm that dramatically accelerates the simulation of quantum many-body systems, a grand challenge in computational science. State-of-the-art methods for these problems are severely limited…

Strongly Correlated Electrons · Physics 2025-10-17 Deqian Kong , Shi Feng , Jianwen Xie , Ying Nian Wu

Compressed manifold modes are locally supported analogues of eigenfunctions of the Laplace-Beltrami operator of a manifold. In this paper we describe an algorithm for the calculation of modes for discrete manifolds that, in experiments,…

Computational Geometry · Computer Science 2015-07-14 Kevin Houston

Fueled by their remarkable ability to tackle diverse tasks across multiple domains, large language models (LLMs) have grown at an unprecedented rate, with some recent models containing trillions of parameters. This growth is accompanied by…

Machine Learning · Computer Science 2025-05-30 Athanasios Glentis , Jiaxiang Li , Qiulin Shang , Andi Han , Ioannis Tsaknakis , Quan Wei , Mingyi Hong

Slow feature analysis (SFA), as a method for learning slowly varying features in classification and signal analysis, has attracted increasing attention in recent years. Recent probabilistic extensions to SFA learn effective representations…

Machine Learning · Computer Science 2025-09-10 Vishal Rishi

Large Language Models (LLMs) excel in natural language processing tasks but pose significant computational and memory challenges for edge deployment due to their intensive resource demands. This work addresses the efficiency of LLM…

Hardware Architecture · Computer Science 2025-07-02 Zhican Wang , Hongxiang Fan , Haroon Waris , Gang Wang , Zhenyu Li , Jianfei Jiang , Yanan Sun , Guanghui He

The Fast Multipole Method (FMM) is an efficient numerical algorithm for computation of long-ranged forces in $N$-body problems within gravitational and electrostatic fields. This method utilizes multipole expansions of the Green's function…

Machine Learning · Computer Science 2025-09-26 Emilio McAllister Fognini , Marta M. Betcke , Ben T. Cox

In this paper, we develop and test a fast numerical algorithm, called MDI-LR, for efficient implementation of quasi-Monte Carlo lattice rules for computing $d$-dimensional integrals of a given function. It is based on the idea of converting…

Numerical Analysis · Mathematics 2024-04-16 Huicong Zhong , Xiaobing Feng