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Motivated by their success in the single-objective domain, we propose a very simple linear programming-based matheuristic for tri-objective binary integer programming. To tackle the problem, we obtain lower bound sets by means of the vector…

Optimization and Control · Mathematics 2021-02-09 Duleabom An , Sophie N. Parragh , Markus Sinnl , Fabien Tricoire

Linear operators and optimisation are at the core of many algorithms used in signal and image processing, remote sensing, and inverse problems. For small to medium-scale problems, existing software packages (e.g., MATLAB, Python numpy and…

Mathematical Software · Computer Science 2019-07-30 Matteo Ravasi , Ivan Vasconcelos

This paper provides a novel framework for solving multiobjective discrete optimization problems with an arbitrary number of objectives. Our framework formulates these problems as network models, in that enumerating the Pareto frontier…

Optimization and Control · Mathematics 2018-09-06 David Bergman , Merve Bodur , Carlos Cardonha , Andre A. Cire

Discrete barycenters are the optimal solutions to mass transport problems for a set of discrete measures. Such transport problems arise in many applications of operations research and statistics. The best known algorithms for exact…

Optimization and Control · Mathematics 2019-04-24 Steffen Borgwardt , Stephan Patterson

This paper concerns the distributed training of nonlinear kernel machines on Map-Reduce. We show that a re-formulation of Nystr\"om approximation based solution which is solved using gradient based techniques is well suited for this,…

Machine Learning · Computer Science 2014-05-20 Dhruv Mahajan , S. Sathiya Keerthi , S. Sundararajan

In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called recursively embedded atom neural network model takes both…

Chemical Physics · Physics 2022-04-06 Yaolong Zhang , Junfan Xia , Bin Jiang

We consider optimal design of PDE-based Bayesian linear inverse problems with infinite-dimensional parameters. We focus on the A-optimal design criterion, defined as the average posterior variance and quantified by the trace of the…

Numerical Analysis · Mathematics 2020-04-02 Elizabeth Herman , Alen Alexanderian , Arvind K. Saibaba

We propose a novel method for inferring refinement types of higher-order functional programs. The main advantage of the proposed method is that it can infer maximally preferred (i.e., Pareto optimal) refinement types with respect to a…

Programming Languages · Computer Science 2015-05-19 Kodai Hashimoto , Hiroshi Unno

We give polynomial-time algorithms for the exact computation of lowest-energy (ground) states, worst margin violators, log partition functions, and marginal edge probabilities in certain binary undirected graphical models. Our approach…

Machine Learning · Computer Science 2009-09-29 Nicol N. Schraudolph , Dmitry Kamenetsky

This survey concerns subspace recycling methods, a popular class of iterative methods that enable effective reuse of subspace information in order to speed up convergence and find good initial guesses over a sequence of linear systems with…

Numerical Analysis · Mathematics 2020-07-30 Kirk M. Soodhalter , Eric de Sturler , Misha Kilmer

Robust optimization provides a principled and unified framework to model many problems in modern operations research and computer science applications, such as risk measures minimization and adversarially robust machine learning. To use a…

Optimization and Control · Mathematics 2024-10-04 Hao Hao , Peter Zhang

Retrosynthetic planning aims to devise a complete multi-step synthetic route from starting materials to a target molecule. Current strategies use a decoupled approach of single-step retrosynthesis models and search algorithms, taking only…

Machine Learning · Computer Science 2023-06-01 Songtao Liu , Zhengkai Tu , Minkai Xu , Zuobai Zhang , Lu Lin , Rex Ying , Jian Tang , Peilin Zhao , Dinghao Wu

The widespread integration of embedded systems across various industries has facilitated seamless connectivity among devices and bolstered computational capabilities. Despite their extensive applications, embedded systems encounter…

Cryptography and Security · Computer Science 2024-04-16 Sreenitha Kasarapu , Sathwika Bavikadi , Sai Manoj Pudukotai Dinakarrao

Iterative refinement (IR) is a popular scheme for solving a linear system of equations based on gradually improving the accuracy of an initial approximation. Originally developed to improve upon the accuracy of Gaussian elimination,…

Numerical Analysis · Mathematics 2025-06-24 Chai Wah Wu , Mark S. Squillante , Vasileios Kalantzis , Lior Horesh

We introduce \emph{ReMatching}, a novel shape correspondence solution based on the functional maps framework. Our method, by exploiting a new and appropriate \emph{re}-meshing paradigm, can target shape-\emph{matching} tasks even on meshes…

Graphics · Computer Science 2025-03-14 Filippo Maggioli , Daniele Baieri , Emanuele Rodolà , Simone Melzi

Automatic design of organic materials requires black-box optimization in a vast chemical space. In conventional molecular design algorithms, a molecule is built as a combination of predetermined fragments. Recently, deep neural network…

Chemical Physics · Physics 2018-06-27 Xiufeng Yang , Jinzhe Zhang , Kazuki Yoshizoe , Kei Terayama , Koji Tsuda

The inversion of extremely high order matrices has been a challenging task because of the limited processing and memory capacity of conventional computers. In a scenario in which the data does not fit in memory, it is worth to consider…

Numerical Analysis · Mathematics 2018-05-08 Iria C. S. Cosme , Isaac F. Fernandes , João L. de Carvalho , Samuel Xavier-de-Souza

Data provenance has numerous applications in the context of data preparation pipelines. It can be used for debugging faulty pipelines, interpreting results, verifying fairness, and identifying data quality issues, which may affect the…

Databases · Computer Science 2025-11-06 Khalid Belhajjame , Haroun Mezrioui , Yuyan Zhao

Using multiple nodes and parallel computing algorithms has become a principal tool to improve training and execution times of deep neural networks as well as effective collective intelligence in sensor networks. In this paper, we consider…

Machine Learning · Computer Science 2020-08-20 Afshin Abdi , Saeed Rashidi , Faramarz Fekri , Tushar Krishna

Science and engineering problems frequently require solving a sequence of dual linear systems. Besides having to store only few Lanczos vectors, using the BiConjugate Gradient method (BiCG) to solve dual linear systems has advantages for…

Numerical Analysis · Mathematics 2015-03-17 Kapil Ahuja , Eric de Sturler , Serkan Gugercin , Eun R. Chang