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We present an efficient numerical method for computing Hamiltonian matrix elements between non-orthogonal Slater determinants, focusing on the most time-consuming component of the calculation that involves a sparse array. In the usual case…

Nuclear Theory · Physics 2012-10-22 Yutaka Utsuno , Noritaka Shimizu , Takaharu Otsuka , Takashi Abe

Researchers working on the automatic parallelization of programs have long known that too much parallelism can be even worse for performance than too little, because spawning a task to be run on another CPU incurs overheads.…

Programming Languages · Computer Science 2011-09-08 Paul Bone , Zoltan Somogyi , Peter Schachte

Automatic parallelization improves the performance of serial program by automatically converting to parallel program. Automatic parallelization typically works in three phases: check for data dependencies in the input program, perform…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-19 Kavya Alluru , Jeganathan. L

We propose and analyze a novel framework for learning sparse representations, based on two statistical techniques: kernel smoothing and marginal regression. The proposed approach provides a flexible framework for incorporating feature…

Machine Learning · Statistics 2012-10-04 Krishnakumar Balasubramanian , Kai Yu , Guy Lebanon

Sparse storage formats are techniques for storing and processing the sparse matrix data efficiently. The performance of these storage formats depend upon the distribution of non-zeros, within the matrix in different dimensions. In order to…

Mathematical Software · Computer Science 2012-02-28 Muhammad Taimoor Khan , Anila Usman

Subsequence-based time series classification algorithms provide accurate and interpretable models, but training these models is extremely computation intensive. The asymptotic time complexity of subsequence-based algorithms remains a…

Machine Learning · Computer Science 2021-02-18 Atif Raza , Stefan Kramer

We develop and implement in this paper a fast sparse assembly algorithm, the fundamental operation which creates a compressed matrix from raw index data. Since it is often a quite demanding and sometimes critical operation, it is of…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-04-28 Stefan Engblom , Dimitar Lukarski

We present a novel extension of the SINDy framework to delay differential equations with {\it distributed delays} and {\it renewal equations}, where typically the dependence from the past manifests via integrals in which the history is…

Dynamical Systems · Mathematics 2025-12-25 Dimitri Breda , Muhammad Tanveer , Jianhong Wu

Software requirements selection aims to find an optimal subset of the requirements with the highest value while respecting the project constraints. But the value of a requirement may depend on the presence or absence of other requirements…

Software Engineering · Computer Science 2020-03-13 Davoud Mougouei , David M W Powers

The methodology discussed in this paper aims to enhance choice models' comprehensiveness and explanatory power for forecasting choice outcomes. To achieve these, we have developed a data-driven method that leverages machine learning…

Methodology · Statistics 2023-05-02 Amir Ghorbani , Neema Nassir , Patricia Sauri Lavieri , Prithvi Bhat Beeramoole

Equation-based modelling is a powerful approach to tame the complexity of large-scale simulation problems. Equation-based tools automatically translate models into imperative languages. When confronted with nowadays' problems, however, well…

The problem of detecting of information and logically independent (DILD) steps in programs is a key for equivalent program transformations. Here we are considering the problem of independence of loop iterations, the concentration of massive…

Programming Languages · Computer Science 2008-11-03 R. Nuriyev

Information about the memory locations accessed by a program is, for instance, required for program parallelisation and program verification. Existing inference techniques for this information provide only partial solutions for the…

Programming Languages · Computer Science 2018-04-12 Jérôme Dohrau , Alexander J. Summers , Caterina Urban , Severin Münger , Peter Müller

High-dimensional real-world systems can often be well characterized by a small number of simultaneous low-complexity interactions. The analysis of variance (ANOVA) decomposition and the anchored decomposition are typical techniques to find…

Numerical Analysis · Mathematics 2024-03-29 Fatima Antarou Ba , Oleh Melnyk , Christian Wald , Gabriele Steidl

In an era of unprecedented deluge of (mostly unstructured) data, graphs are proving more and more useful, across the sciences, as a flexible abstraction to capture complex relationships between complex objects. One of the main challenges…

Disordered Systems and Neural Networks · Physics 2016-10-17 Alaa Saade

We address the problem of prediction of multivariate data process using an underlying graph model. We develop a method that learns a sparse partial correlation graph in a tuning-free and computationally efficient manner. Specifically, the…

Machine Learning · Statistics 2018-11-19 Arun Venkitaraman , Dave Zachariah

Tomographic imaging has benefited from advances in X-ray sources, detectors and optics to enable novel observations in science, engineering and medicine. These advances have come with a dramatic increase of input data in the form of faster…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-25 Stefano Marchesini , Anuradha Trivedi , Pablo Enfedaque , Talita Perciano , Dilworth Parkinson

Linear mixed models are a versatile statistical tool to study data by accounting for fixed effects and random effects from multiple sources of variability. In many situations, a large number of candidate fixed effects is available and it is…

Methodology · Statistics 2022-09-09 Emanuele Degani , Luca Maestrini , Dorota Toczydłowska , Matt P. Wand

Sparse linear regression is a central problem in high-dimensional statistics. We study the correlated random design setting, where the covariates are drawn from a multivariate Gaussian $N(0,\Sigma)$, and we seek an estimator with small…

Data Structures and Algorithms · Computer Science 2023-05-29 Jonathan Kelner , Frederic Koehler , Raghu Meka , Dhruv Rohatgi

Sparse matrices are the key ingredients of several application domains, from scientific computation to machine learning. The primary challenge with sparse matrices has been efficiently storing and transferring data, for which many sparse…

Hardware Architecture · Computer Science 2023-05-12 Bahar Asgari , Ramyad Hadidi , Joshua Dierberger , Charlotte Steinichen , Amaan Marfatia , Hyesoon Kim