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The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…

Materials Science · Physics 2023-01-02 He Li , Zun Wang , Nianlong Zou , Meng Ye , Runzhang Xu , Xiaoxun Gong , Wenhui Duan , Yong Xu

The data-driven computing paradigm initially introduced by Kirchdoerfer and Ortiz (2016) enables finite element computations in solid mechanics to be performed directly from material data sets, without an explicit material model. From a…

Computational Engineering, Finance, and Science · Computer Science 2021-05-19 Robert Eggersmann , Laurent Stainier , Michael Ortiz , Stefanie Reese

The Kronecker product is an important matrix operation with a wide range of applications in supporting fast linear transforms, including signal processing, graph theory, quantum computing and deep learning. In this work, we introduce a…

Information Theory · Computer Science 2020-11-25 Ruhui Jin , Tamara G. Kolda , Rachel Ward

Non-linear functions are prevalent in Transformers and their lightweight variants, incurring substantial and frequently underestimated hardware costs. Previous state-of-the-art works optimize these operations by piece-wise linear…

Light field imaging is characterized by capturing brightness, color, and directional information of light rays in a scene. This leads to image representations with huge amount of data that require efficient coding schemes. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2019-02-01 Hadi Amirpour , Antonio Pinheiro , Manuela Pereira , Mohammad Ghanbari

This article introduces the Clarke transform and Clarke coordinates, which present a solution to the disengagement of an arbitrary number of coupled displacement actuation of continuum and soft robots. The Clarke transform utilizes the…

Robotics · Computer Science 2024-09-26 Reinhard Grassmann , Anastasiia Senyk , Jessica Burgner-Kahrs

The Neural Tangent Kernel (NTK) characterizes the behavior of infinitely-wide neural networks trained under least squares loss by gradient descent. Recent works also report that NTK regression can outperform finitely-wide neural networks…

Machine Learning · Computer Science 2021-12-09 Amir Zandieh , Insu Han , Haim Avron , Neta Shoham , Chaewon Kim , Jinwoo Shin

Large Language Models (LLMs) face significant computational challenges when processing long contexts due to the quadratic complexity of self-attention. While soft context compression methods, which map input text to smaller latent…

Computation and Language · Computer Science 2025-09-24 Gabriele Berton , Jayakrishnan Unnikrishnan , Son Tran , Mubarak Shah

In this article, we establish the foundations of a computational field theory, which we term Topological Kleene Field Theory (TKFT), inspired by Stephen Kleene's seminal work on partial recursive functions and drawing parallels with…

Dynamical Systems · Mathematics 2025-10-09 Ángel González-Prieto , Eva Miranda , Daniel Peralta-Salas

Dealing with massive data is a challenging task for machine learning. An important aspect of machine learning is function approximation. In the context of massive data, some of the commonly used tools for this purpose are sparsity,…

Machine Learning · Computer Science 2020-07-08 Hrushikesh N Mhaskar

Supervised Fine-Tuning (SFT) accelerates taskspecific large language models (LLMs) development, but the resulting proliferation of finetuned models incurs substantial memory overhead. Delta compression addresses this by retaining a single…

Machine Learning · Computer Science 2026-04-21 Junlin Li , Shuangyong Song , Guodong Du , Ngai Wong , Xuebo Liu , Yongxiang Li , Min Zhang , Jing Li , Xuelong Li

Image super-resolution (SR) in resource-constrained scenarios demands lightweight models balancing performance and latency. Convolutional neural networks (CNNs) offer low latency but lack non-local feature capture, while Transformers excel…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Quanwei Hu , Yinggan Tang , Xuguang Zhang

We introduce a quantum algorithm to perform the Laplace transform on quantum computers. Already, the quantum Fourier transform (QFT) is the cornerstone of many quantum algorithms, but the Laplace transform or its discrete version has not…

Reinforcement learning (RL) tackles sequential decision-making problems by creating agents that interacts with their environment. However, existing algorithms often view these problem as static, focusing on point estimates for model…

Machine Learning · Statistics 2024-03-21 Frank Shih , Faming Liang

We study the question: How can we select the right data for fine-tuning to a specific task? We call this data selection problem active fine-tuning and show that it is an instance of transductive active learning, a novel generalization of…

Machine Learning · Computer Science 2024-06-24 Jonas Hübotter , Bhavya Sukhija , Lenart Treven , Yarden As , Andreas Krause

Maximizing the Kullback-Leibler divergence (KLD) is a fundamental problem in waveform design for active sensing and hypothesis testing, as it directly relates to the error exponent of detection probability. However, the associated…

Signal Processing · Electrical Eng. & Systems 2026-01-05 Jeongwoo Park , Seongkyu Jung , Kaiming Shen , Jeonghun Park

The performance of multivariate kernel density estimation (KDE) depends strongly on the choice of bandwidth matrix. The high computational cost required for its estimation provides a big motivation to develop fast and accurate methods. One…

Computation · Statistics 2016-05-13 Artur Gramacki , Jarosław Gramacki

Standard few-shot benchmarks are often built upon simplifying assumptions on the query sets, which may not always hold in practice. In particular, for each task at testing time, the classes effectively present in the unlabeled query set are…

Machine Learning · Computer Science 2022-10-27 Ségolène Martin , Malik Boudiaf , Emilie Chouzenoux , Jean-Christophe Pesquet , Ismail Ben Ayed

We present a new method for the analysis of peculiar velocity surveys which removes contributions to velocities from small scale, nonlinear velocity modes while retaining information about large scale motions. Our method utilizes…

Ideally, 360{\deg} imagery could inherit the deep convolutional neural networks (CNNs) already trained with great success on perspective projection images. However, existing methods to transfer CNNs from perspective to spherical images…

Computer Vision and Pattern Recognition · Computer Science 2019-04-10 Yu-Chuan Su , Kristen Grauman