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We present a systematic framework for shortening and automating molecular dynamics equilibration through improved position initialization methods and uncertainty quantification analysis, using the Yukawa one-component plasma as an exemplar…

Computational Physics · Physics 2026-01-06 Luciano G. Silvestri , Zachary A. Johnson , Michael S. Murillo

Quantum annealing is a heuristic algorithm for searching the ground state of an Ising model. Heuristic algorithms aim to obtain near-optimal solutions with a reasonable computation time. Accordingly, many algorithms have so far been…

Quantum Physics · Physics 2022-11-09 Shuntaro Okada , Masayuki Ohzeki

Federated Learning (FL) enables multiple devices to collaboratively train a shared model while ensuring data privacy. The selection of participating devices in each training round critically affects both the model performance and training…

Machine Learning · Computer Science 2024-05-08 Chunlin Tian , Zhan Shi , Xinpeng Qin , Li Li , Chengzhong Xu

We propose a novel warmstarting method for primal-dual interior point methods based on a smoothing operator that generates a starting point on the central path from the previous optimum. Compared to traditional approaches that prioritize…

Optimization and Control · Mathematics 2025-12-02 Yuwen Chen , Paul Goulart , Colin Jones

Low rank matrix factorization is a fundamental building block in machine learning, used for instance to summarize gene expression profile data or word-document counts. To be robust to outliers and differences in scale across features, a…

Machine Learning · Computer Science 2020-07-07 Marco Cuturi , Olivier Teboul , Jonathan Niles-Weed , Jean-Philippe Vert

Quantum machine learning is an emergent field that continues to draw significant interest for its potential to offer improvements over classical algorithms in certain areas. However, training quantum models remains a challenging task,…

Quantum Physics · Physics 2024-11-20 Erik Recio-Armengol , Franz J. Schreiber , Jens Eisert , Carlos Bravo-Prieto

Cold-start challenges in recommender systems necessitate leveraging auxiliary features beyond user-item interactions. However, the presence of irrelevant or noisy features can degrade predictive performance, whereas an excessive number of…

Information Retrieval · Computer Science 2025-08-11 Nikita Sukhorukov , Danil Gusak , Evgeny Frolov

Matrix factorization (MF) is extensively used to mine the user preference from explicit ratings in recommender systems. However, the reliability of explicit ratings is not always consistent, because many factors may affect the user's final…

Information Retrieval · Computer Science 2018-06-25 Zhipeng Wu , Hui Tian , Xuzhen Zhu , Shuo Wang

Sequentially solving similar optimization problems under strict runtime constraints is essential for many applications, such as robot control, autonomous driving, and portfolio management. The performance of local optimization methods in…

Machine Learning · Computer Science 2025-02-04 Elad Sharony , Heng Yang , Tong Che , Marco Pavone , Shie Mannor , Peter Karkus

When investigators seek to estimate causal effects, they often assume that selection into treatment is based only on observed covariates. Under this identification strategy, analysts must adjust for observed confounders. While basic…

Applications · Statistics 2019-01-09 Luke Keele , Dylan Small

Topology optimization is an essential tool in computational engineering, for example, to improve the design and efficiency of flow channels. At the same time, Ising machines, including digital or quantum annealers, have been used as…

Computational Engineering, Finance, and Science · Computer Science 2024-11-14 Yudai Suzuki , Shiori Aoki , Fabian Key , Katsuhiro Endo , Yoshiki Matsuda , Shu Tanaka , Marek Behr , Mayu Muramatsu

We derive a Fast Multipole Method (FMM) where a low-rank approximation of the kernel is obtained using the Empirical Interpolation Method (EIM). Contrary to classical interpolation-based FMM, where the interpolation points and basis are…

Numerical Analysis · Mathematics 2015-08-25 Fabien Casenave

Randomized algorithms for low-rank matrix approximation are investigated, with the emphasis on the fixed-precision problem and computational efficiency for handling large matrices. The algorithms are based on the so-called QB factorization,…

Numerical Analysis · Mathematics 2018-02-13 Wenjian Yu , Yu Gu , Yaohang Li

The multi-angle quantum approximate optimization algorithm (ma-QAOA) is a recently introduced algorithm that gives at least the same approximation ratio as the quantum approximate optimization algorithm (QAOA) and, in most cases, gives a…

Quantum Physics · Physics 2024-09-30 Anthony Wilkie , James Ostrowski , Rebekah Herrman

QLoRA reduces the memory-cost of fine-tuning a large language model (LLM) with LoRA by quantizing the base LLM. However, quantization introduces quantization errors that negatively impact model performance after fine-tuning. In this paper…

Machine Learning · Computer Science 2024-10-22 Neal Lawton , Aishwarya Padmakumar , Judith Gaspers , Jack FitzGerald , Anoop Kumar , Greg Ver Steeg , Aram Galstyan

Model Predictive Control (MPC) is widely used in robot control by optimizing a sequence of control outputs over a finite-horizon. Computational approaches for MPC include deterministic methods (e.g., iLQR and COBYLA), as well as…

Robotics · Computer Science 2025-11-03 Zhaoxin Li , Xiaoke Wang , Letian Chen , Rohan Paleja , Subramanya Nageshrao , Matthew Gombolay

Given a matrix $M$ (not necessarily nonnegative) and a factorization rank $r$, semi-nonnegative matrix factorization (semi-NMF) looks for a matrix $U$ with $r$ columns and a nonnegative matrix $V$ with $r$ rows such that $UV$ is the best…

Numerical Analysis · Mathematics 2015-10-28 Nicolas Gillis , Abhishek Kumar

In this paper, we study the role of initialization in Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021). Essentially, to start from the pretrained model as initialization for finetuning, one can either initialize B to…

Machine Learning · Computer Science 2024-06-13 Soufiane Hayou , Nikhil Ghosh , Bin Yu

We examine methods for clustering in high dimensions. In the first part of the paper, we perform an experimental comparison between three batch clustering algorithms: the Expectation-Maximization (EM) algorithm, a winner take all version of…

Machine Learning · Computer Science 2015-05-19 Marina Meila , David Heckerman

Knowledge tracing is a sequence prediction problem where the goal is to predict the outcomes of students over questions as they are interacting with a learning platform. By tracking the evolution of the knowledge of some student, one can…

Information Retrieval · Computer Science 2018-11-16 Jill-Jênn Vie , Hisashi Kashima
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