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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…

Materials Science · Physics 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…

Software Engineering · Computer Science 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…

Machine Learning · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Machine Learning · Computer Science 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…

Numerical Analysis · Mathematics 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…

Quantum Physics · Physics 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…

Artificial Intelligence · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Logic in Computer Science · Computer Science 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…

Optimization and Control · Mathematics 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…

Machine Learning · Computer Science 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.…

Artificial Intelligence · Computer Science 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…

Computation and Language · Computer Science 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…

Econometrics · Economics 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…

Artificial Intelligence · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Quantum Physics · Physics 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…

Condensed Matter · Physics 2016-08-14 K. Stokbro , N. Chetty , K. W. Jacobsen , J. K. Nørskov
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