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In resent years, the software ecosystem for numerical simulation still remains fragmented, with different algorithms and discretization methods often implemented in isolation, each with distinct data structures and programming conventions.…

Numerical Analysis · Mathematics 2026-03-10 Yangyang Zheng , Huayi Wei , Yunqing Huang , Chunyu Chen , Tian Tian , Hanbin Liu , Wenbin Wang , Liang He

We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…

Computational Physics · Physics 2025-10-20 Sayan Bhowmik , Andrew J. Medford , Phanish Suryanarayana

The application of program transformation and algebraic methods to the development of efficient combinatorial optimization (CO) algorithms relies on an exhaustive combinatorial generator for the problem specification, followed by the fusion…

Discrete Mathematics · Computer Science 2026-05-29 Xi He , Max. A. Little

We show a general relation between the spatially disjoint product of probability density functions and the sum of their Fisher information metric tensors. We then utilise this result to give a method for constructing the probability density…

Information Theory · Computer Science 2015-04-14 T. Clingman , Jeff Murugan , Jonathan P. Shock

Tensor completion is a natural higher-order generalization of matrix completion where the goal is to recover a low-rank tensor from sparse observations of its entries. Existing algorithms are either heuristic without provable guarantees,…

Data Structures and Algorithms · Computer Science 2023-07-14 Allen Liu , Ankur Moitra

The Apache Spark stack has enabled fast large-scale data processing. Despite a rich library of statistical models and inference algorithms, it does not give domain users the ability to develop their own models. The emergence of…

Databases · Computer Science 2017-10-10 Zhuoyue Zhao , Jialing Pei , Eric Lo , Kenny Q. Zhu , Chris Liu

Forward inference techniques such as sequential Monte Carlo and particle Markov chain Monte Carlo for probabilistic programming can be implemented in any programming language by creative use of standardized operating system functionality…

Artificial Intelligence · Computer Science 2014-07-11 Brooks Paige , Frank Wood

When observations are curves over some natural time interval, the field of functional data analysis comes into play. Functional linear processes account for temporal dependence in the data. The prediction problem for functional linear…

Methodology · Statistics 2023-12-12 Johannes Klepsch , Claudia Klüppelberg

Expressive text encoders such as RNNs and Transformer Networks have been at the center of NLP models in recent work. Most of the effort has focused on sentence-level tasks, capturing the dependencies between words in a single sentence, or…

Computation and Language · Computer Science 2021-09-15 Manuel Widmoser , Maria Leonor Pacheco , Jean Honorio , Dan Goldwasser

We present a methodology for integrating functional data into deep densely connected feed-forward neural networks. The model is defined for scalar responses with multiple functional and scalar covariates. A by-product of the method is a set…

Machine Learning · Statistics 2022-12-21 Barinder Thind , Kevin Multani , Jiguo Cao

The identification of nonlinear dynamics from observations is essential for the alignment of the theoretical ideas and experimental data. The last, in turn, is often corrupted by the side effects and noise of different natures, so…

Machine Learning · Computer Science 2020-06-08 Anna Shalova , Ivan Oseledets

Deep neural networks have emerged as powerful tools for learning operators defined over infinite-dimensional function spaces. However, existing theories frequently encounter difficulties related to dimensionality and limited…

Machine Learning · Computer Science 2026-05-12 Jianfei Li , Shuo Huang , Han Feng , Ding-Xuan Zhou , Gitta Kutyniok

Here several perfect simulation algorithms are brought under a single framework, and shown to derive from the same probabilistic result, called here the Fundamental Theorem of Perfect Simulation (FTPS). An exact simulation algorithm has…

Probability · Mathematics 2017-04-13 Mark Huber

Tensor networks (TNs) enable compact representations of large tensors through shared parameters. Their use in probabilistic modeling is particularly appealing, as probabilistic tensor networks (PTNs) allow for tractable computation of…

Machine Learning · Computer Science 2025-10-02 Marawan Gamal Abdel Hameed , Guillaume Rabusseau

By discussing several examples, the theory of generalized functional models is shown to be very natural for modeling some situations of reasoning under uncertainty. A generalized functional model is a pair (f, P) where f is a function…

Artificial Intelligence · Computer Science 2013-02-08 Paul-Andre Monney

In this paper we demonstrate a technique for developing high performance applications with strong correctness guarantees. We use a theorem prover to derive a high-level specification of the application that includes correctness invariants…

Programming Languages · Computer Science 2024-06-18 Artjoms Sinkarovs , Thomas Koopman , Sven-Bodo Scholz

We propose learning flexible but interpretable functions that aggregate a variable-length set of permutation-invariant feature vectors to predict a label. We use a deep lattice network model so we can architect the model structure to…

Machine Learning · Computer Science 2018-06-04 Andrew Cotter , Maya Gupta , Heinrich Jiang , James Muller , Taman Narayan , Serena Wang , Tao Zhu

Decision tree ensembles are widely used and competitive learning models. Despite their success, popular toolkits for learning tree ensembles have limited modeling capabilities. For instance, these toolkits support a limited number of loss…

Machine Learning · Computer Science 2022-05-20 Shibal Ibrahim , Hussein Hazimeh , Rahul Mazumder

This paper explores the capabilities of current transformer-based language models for program evaluation of simple functional programming languages. We introduce a new program generation mechanism that allows control over syntactic sugar…

Computation and Language · Computer Science 2021-12-10 Torsten Scholak , Jonathan Pilault , Joey Velez-Ginorio

The computation of integrals is a fundamental task in the analysis of functional data, which are typically considered as random elements in a space of squared integrable functions. Borrowing ideas from recent advances in the Monte Carlo…

Methodology · Statistics 2025-01-16 Valentin Patilea , Sunny G. W. Wang
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