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The emergence of artificial intelligence (AI) accelerators like NVIDIA Tensor Cores offers new opportunities to speed up tensor-heavy scientific computations. However, applying them to quantum chemistry is challenging due to strict accuracy…

Chemical Physics · Physics 2026-04-20 Hua Huang , Wenkai Shao , Jeff Hammond

We introduce Aster, an AI agent for autonomous scientific discovery capable of operating over 20 times faster than existing frameworks. Given a task, an initial program, and a script to evaluate the performance of the program, Aster…

Artificial Intelligence · Computer Science 2026-02-10 Emmett Bicker

With growing deployment of Internet of Things (IoT) and machine learning (ML) applications, which need to leverage computation on edge and cloud resources, it is important to develop algorithms and tools to place these distributed…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-30 Xiangchen Zhao , Diyi Hu , Bhaskar Krishnamachari

Due to the vast testing space, the increasing demand for effective and efficient testing of deep neural networks (DNNs) has led to the development of various DNN test case prioritization techniques. However, the fact that DNNs can deliver…

Software Engineering · Computer Science 2024-09-17 Jialuo Chen , Jingyi Wang , Xiyue Zhang , Youcheng Sun , Marta Kwiatkowska , Jiming Chen , Peng Cheng

Extracting approximate eigenpairs from a prescribed subspace is of fundamental importance in eigenvalue computation. While projecting the target eigenvector onto the subspace yields satisfactory accuracy, extracting an approximate eigenpair…

Numerical Analysis · Mathematics 2026-05-26 Nian Shao

The growing demand for long-context inference capabilities in Large Language Models (LLMs) has intensified the computational and memory bottlenecks inherent to the self-attention mechanism. To address this challenge, we introduce BLASST, a…

Sparse coding is a core building block in many data analysis and machine learning pipelines. Typically it is solved by relying on generic optimization techniques, such as the Iterative Soft Thresholding Algorithm and its accelerated version…

Machine Learning · Statistics 2017-06-06 Thomas Moreau , Joan Bruna

Self-similarity techniques are booming in blind super-resolution (SR) due to accurate estimation of the degradation types involved in low-resolution images. However, high-dimensional matrix multiplication within self-similarity computation…

Computer Vision and Pattern Recognition · Computer Science 2024-08-02 Jiancong Feng , Yuan-Gen Wang , Mingjie Li , Fengchuang Xing

We present a variational algorithm for fault tolerant quantum computing to solve a system of linear equations which directly maximises the parameters of the target fidelity. This so-called measurement test algorithm can be applied to any…

Quantum Physics · Physics 2026-04-30 Alain Giresse Tene , Thomas Konrad

Several fundamental tasks in data science rely on computing an extremal eigenspace of size $r \ll n$, where $n$ is the underlying problem dimension. For example, spectral clustering and PCA both require the computation of the leading…

Numerical Analysis · Mathematics 2019-09-04 Vasileios Charisopoulos , Austin R. Benson , Anil Damle

Contraction Clustering (RASTER) is a single-pass algorithm for density-based clustering of 2D data. It can process arbitrary amounts of data in linear time and in constant memory, quickly identifying approximate clusters. It also exhibits…

Data Structures and Algorithms · Computer Science 2020-09-17 Gregor Ulm , Simon Smith , Adrian Nilsson , Emil Gustavsson , Mats Jirstrand

Most cloud services and distributed applications rely on hashing algorithms that allow dynamic scaling of a robust and efficient hash table. Examples include AWS, Google Cloud and BitTorrent. Consistent and rendezvous hashing are algorithms…

Data Structures and Algorithms · Computer Science 2022-05-17 Mike Heddes , Igor Nunes , Tony Givargis , Alexandru Nicolau , Alex Veidenbaum

This work concerns the minimization of the pseudospectral abscissa of a matrix-valued function dependent on parameters analytically. The problem is motivated by robust stability and transient behavior considerations for a linear control…

Numerical Analysis · Mathematics 2024-06-21 Nicat Aliyev , Emre Mengi

We study fast algorithms for computing fundamental properties of a positive semidefinite kernel matrix $K \in \mathbb{R}^{n \times n}$ corresponding to $n$ points $x_1,\ldots,x_n \in \mathbb{R}^d$. In particular, we consider estimating the…

Data Structures and Algorithms · Computer Science 2021-06-21 Arturs Backurs , Piotr Indyk , Cameron Musco , Tal Wagner

By Emerging huge databases and the need to efficient learning algorithms on these datasets, new problems have appeared and some methods have been proposed to solve these problems by selecting efficient features. Feature selection is a…

Computer Vision and Pattern Recognition · Computer Science 2016-01-21 Mitra Montazeri , Mahdieh Soleymani Baghshah , Aliakbar Niknafs

Hermite polynomials and functions have extensive applications in scientific and engineering problems. Although it is recognized that employing the scaled Hermite functions rather than the standard ones can remarkably enhance the…

Numerical Analysis · Mathematics 2026-05-06 Hao Hu , Haijun Yu

Computing eigenvalues of very large matrices is a critical task in many machine learning applications, including the evaluation of log-determinants, the trace of matrix functions, and other important metrics. As datasets continue to grow in…

Machine Learning · Statistics 2025-06-16 Siavash Ameli , Chris van der Heide , Liam Hodgkinson , Michael W. Mahoney

Quantum algorithms for estimating the eigenvalues of matrices, including the phase estimation algorithm, serve as core subroutines in a wide range of quantum algorithms, including those in quantum chemistry and quantum machine learning. The…

Quantum Physics · Physics 2025-09-03 Abhijeet Alase , Salini Karuvade

Fully homomorphic encryption (FHE) has experienced significant development and continuous breakthroughs in theory, enabling its widespread application in various fields, like outsourcing computation and secure multi-party computing, in…

Cryptography and Security · Computer Science 2023-03-21 Yanwei Gong , Xiaolin Chang , Jelena Mišić , Vojislav B. Mišić , Jianhua Wang , Haoran Zhu

Predictive and real-time inference capability for the upstream separatrix electron density, $n_\text{e, sep}$, is essential for design and control of core-edge integrated plasma scenarios. In this study, both supervised and semi-supervised…

Plasma Physics · Physics 2023-01-18 A. Kit , A. Jaervinen , S. Wiesen , Y. Poels , L. Frassinetti
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