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A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…

Computational Physics · Physics 2021-11-24 Jean-Luc Fattebert

In this paper, we study weakly dynamic undirected graphs, that can be used to represent some logistic networks. The goal is to deliver all the delivery points in the network. The network exists in a mostly stable environment, except for a…

Data Structures and Algorithms · Computer Science 2019-04-11 Moustafa Nakechbandi , Jean-Yves Colin , Hervé Mathieu

Density Functional Theory (DFT) has become the quasi-standard for ab-initio simulations for a wide range of applications. While the intrinsic cubic scaling of DFT was for a long time limiting the accessible system size to some hundred…

Materials Science · Physics 2018-02-23 Stephan Mohr , Marc Eixarch , Maximilian Amsler , Mervi J. Mantsinen , Luigi Genovese

Sparse decision trees are one of the most common forms of interpretable models. While recent advances have produced algorithms that fully optimize sparse decision trees for prediction, that work does not address policy design, because the…

Machine Learning · Computer Science 2022-10-27 Ali Behrouz , Mathias Lecuyer , Cynthia Rudin , Margo Seltzer

Parameterized complexity theory offers a framework for a refined analysis of hard algorithmic problems. Instead of expressing the running time of an algorithm as a function of the input size only, running times are expressed with respect to…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-18 Sebastian Siebertz , Alexandre Vigny

Most of the parameters in large vocabulary models are used in embedding layer to map categorical features to vectors and in softmax layer for classification weights. This is a bottle-neck in memory constraint on-device training applications…

Machine Learning · Computer Science 2018-11-21 Ehsan Variani , Ananda Theertha Suresh , Mitchel Weintraub

This work considers the problem of computing distances between structured objects such as undirected graphs, seen as probability distributions in a specific metric space. We consider a new transportation distance (i.e. that minimizes a…

Machine Learning · Statistics 2019-05-14 Titouan Vayer , Laetitia Chapel , Rémi Flamary , Romain Tavenard , Nicolas Courty

We introduce the functional hierarchical tensor under a wavelet basis (FHT-W) ansatz for high-dimensional density estimation in lattice models. Recently, the functional tensor network has emerged as a suitable candidate for density…

Numerical Analysis · Mathematics 2025-03-03 Xun Tang , Lexing Ying

Current language models tailored for code tasks often adopt the pre-training-then-fine-tuning paradigm from natural language processing, modeling source code as plain text. This approach, however, overlooks the unambiguous structures…

Computation and Language · Computer Science 2024-01-22 Mayank Agarwal , Yikang Shen , Bailin Wang , Yoon Kim , Jie Chen

As a prevalent distributed learning paradigm, Federated Learning (FL) trains a global model on a massive amount of devices with infrequent communication. This paper investigates a class of composite optimization and statistical recovery…

Machine Learning · Computer Science 2022-10-04 Yajie Bao , Michael Crawshaw , Shan Luo , Mingrui Liu

Tensor network states (TNS) are a powerful approach for the study of strongly correlated quantum matter. The curse of dimensionality is addressed by parametrizing the many-body state in terms of a network of partially contracted tensors.…

Quantum Physics · Physics 2022-08-03 Thomas Barthel , Jianfeng Lu , Gero Friesecke

Phylogenomics is a new field which applies to tools in phylogenetics to genome data. Due to a new technology and increasing amount of data, we face new challenges to analyze them over a space of phylogenetic trees. Because a space of…

Combinatorics · Mathematics 2020-05-15 Ruriko Yoshida

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

We consider multidimensional optimization problems that are formulated in the framework of tropical mathematics to minimize functions defined on vectors over a tropical semifield (a semiring with idempotent addition and invertible…

Optimization and Control · Mathematics 2018-05-29 Nikolai Krivulin

We consider multidimensional optimization problems, which are formulated and solved in terms of tropical mathematics. The problems are to minimize (maximize) a linear or nonlinear function defined on vectors over an idempotent semifield,…

Optimization and Control · Mathematics 2024-01-18 N. Krivulin

Tensor completion aimes at recovering missing data, and it is one of the popular concerns in deep learning and signal processing. Among the higher-order tensor decomposition algorithms, the recently proposed fully-connected tensor network…

Machine Learning · Computer Science 2022-04-07 Peilin Yang , Yonghui Huang , Yuning Qiu , Weijun Sun , Guoxu Zhou

The goal of this paper is to make a connection between tropical geometry, representations of quantum affine algebras, and scattering amplitudes in physics. The connection allows us to study important and difficult questions in these areas:…

Quantum Algebra · Mathematics 2024-04-16 Nick Early , Jian-Rong Li

Tensor networks are efficient representations of high-dimensional tensors which have been very successful for physics and mathematics applications. We demonstrate how algorithms for optimizing such networks can be adapted to supervised…

Machine Learning · Statistics 2017-05-22 E. Miles Stoudenmire , David J. Schwab

Recently, quite a few novel neural architectures were derived to solve math word problems by predicting expression trees. These architectures varied from seq2seq models, including encoders leveraging graph relationships combined with tree…

Computation and Language · Computer Science 2022-06-06 Keyur Faldu , Amit Sheth , Prashant Kikani , Darshan Patel

Can algebraic geometry enhance the sharpness, robustness, and interpretability of modern neural reasoning models by equipping them with a mathematically grounded inductive bias? To answer this, we introduce Tropical Attention, an attention…

Machine Learning · Computer Science 2025-10-24 Baran Hashemi , Kurt Pasque , Chris Teska , Ruriko Yoshida
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