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Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

材料科学 · 物理学 2022-11-21 Yusuke Nomura , Ryosuke Akashi

We present a lightweight, open source Agda framework for manually verifying effectful programs using predicate transformer semantics. We represent the abstract syntax trees (AST) of effectful programs with a generalized algebraic datatype…

软件工程 · 计算机科学 2022-08-18 Christa Jenkins , Mark Moir , Harold Carr

In this work, we present a general framework for continual learning of sequentially arrived tasks with the use of pre-training, which has emerged as a promising direction for artificial intelligence systems to accommodate real-world…

机器学习 · 计算机科学 2024-07-10 Liyuan Wang , Jingyi Xie , Xingxing Zhang , Hang Su , Jun Zhu

Explaining predictions of deep neural networks (DNNs) is an important and nontrivial task. In this paper, we propose a practical approach to interpret decisions made by a DNN object detector that has fidelity comparable to state-of-the-art…

计算机视觉与模式识别 · 计算机科学 2018-11-21 Denis Gudovskiy , Alec Hodgkinson , Takuya Yamaguchi , Yasunori Ishii , Sotaro Tsukizawa

Local explanation frameworks aim to rationalize particular decisions made by a black-box prediction model. Existing techniques are often restricted to a specific type of predictor or based on input saliency, which may be undesirably…

机器学习 · 计算机科学 2019-02-12 Brandon Carter , Jonas Mueller , Siddhartha Jain , David Gifford

We investigate the compilation of general multilinear variational forms over affines simplices and prove a representation theorem for the representation of the element tensor (element stiffness matrix) as the contraction of a constant…

数值分析 · 数学 2012-05-15 Robert C. Kirby , Anders Logg

Embedding of a knowledge graph(KG) entities and relations in the form of vectors is an important aspect for the manipulation of the KG database for several downstream tasks, such as link prediction, knowledge graph completion, and…

量子物理 · 物理学 2025-07-04 Pulak Ranjan Giri , Mori Kurokawa , Kazuhiro Saito

This paper describes a generalization of previous methods for constructing tree-structured belief network with hidden variables. The major new feature of the described method is the ability to produce a tree decomposition even when there…

人工智能 · 计算机科学 2013-04-05 L. Liu , Y. Ma , D. Wilkins , Z. Bian , X. Ying

Attention is sparse in vision transformers. We observe the final prediction in vision transformers is only based on a subset of most informative tokens, which is sufficient for accurate image recognition. Based on this observation, we…

计算机视觉与模式识别 · 计算机科学 2021-10-27 Yongming Rao , Wenliang Zhao , Benlin Liu , Jiwen Lu , Jie Zhou , Cho-Jui Hsieh

In this paper, we show a new approach to transformations of an imperative program with function calls and global variables into a logically constrained term rewriting system. The resulting system represents transitions of the whole…

计算机科学中的逻辑 · 计算机科学 2019-02-25 Yoshiaki Kanazawa , Naoki Nishida

Given a compact basic semi-algebraic set $K\subset R^n\times R^m$, a simple set $B$ (box or ellipsoid), and some semi-algebraic function $f$, we consider sets defined with quantifiers, of the form $R_f:=\{x\in B: \mbox{$f(x,y)\leq 0$ for…

最优化与控制 · 数学 2014-10-28 Jean B. Lasserre

The success of deep learning (DL) is often achieved with large models and high complexity during both training and post-training inferences, hindering training in resource-limited settings. To alleviate these issues, this paper introduces a…

机器学习 · 计算机科学 2025-01-20 En-hui Yang , Shayan Mohajer Hamidi

In this exploratory article, we draw attention to the common formal ground among various estimators such as the belief functions of evidence theory and their relatives, approximation quality of rough set theory, and contextual probability.…

人工智能 · 计算机科学 2018-06-21 Ivo Düntsch , Günther Gediga , Hui Wang

The proliferation of fake news has emerged as a severe societal problem, raising significant interest from industry and academia. While existing deep-learning based methods have made progress in detecting fake news accurately, their…

计算与语言 · 计算机科学 2024-05-29 Hui Liu , Wenya Wang , Haoru Li , Haoliang Li

This paper presents a general framework for estimating high-dimensional conditional latent factor models via constrained nuclear norm regularization. We establish large sample properties of the estimators and provide efficient algorithms…

计量经济学 · 经济学 2025-12-09 Qihui Chen

Constraint programming is known for being an efficient approach for solving combinatorial problems. Important design choices in a solver are the branching heuristics, which are designed to lead the search to the best solutions in a minimum…

人工智能 · 计算机科学 2024-04-17 Tom Marty , Tristan François , Pierre Tessier , Louis Gauthier , Louis-Martin Rousseau , Quentin Cappart

In order to speed-up classification models when facing a large number of categories, one usual approach consists in organizing the categories in a particular structure, this structure being then used as a way to speed-up the prediction…

机器学习 · 计算机科学 2015-11-26 Aurélia Léon , Ludovic Denoyer

Machine learned models often must abide by certain requirements (e.g., fairness or legal). This has spurred interested in developing approaches that can provably verify whether a model satisfies certain properties. This paper introduces a…

机器学习 · 计算机科学 2020-12-01 Laurens Devos , Wannes Meert , Jesse Davis

There is an increasing interest in scaling tensor network methods through belief propagation (BP), as well as increasing the accuracy of BP through tensor network methods. We develop a unification framework that takes an arbitrary graphical…

量子物理 · 物理学 2025-11-25 Pedro Hack , Jonas Hitter , Christian B. Mendl , Alexandru Paler

A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…

凝聚态物理 · 物理学 2016-08-14 K. Stokbro , N. Chetty , K. W. Jacobsen , J. K. Nørskov