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Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…

Materials Science · Physics 2024-11-28 Y. -C. Hu , J. Tian

Index tuning, i.e., selecting the indexes appropriate for a workload, is a crucial problem in database system tuning. In this paper, we solve index tuning for large problem instances that are common in practice, e.g., thousands of queries…

Databases · Computer Science 2011-04-19 Debabrata Dash , Neoklis Polyzotis , Anastasia Ailamaki

Training modern deep learning models is increasingly constrained by GPU memory and compute limits. While Randomized Numerical Linear Algebra (RandNLA) offers proven techniques to compress these models, the lack of a unified,…

Machine Learning · Computer Science 2026-01-23 Fahd Seddik , Abdulrahman Elbedewy , Gaser Sami , Mohamed Abdelmoniem , Yahia Zakaria

The study of research trends is pivotal for understanding scientific development on specific topics. Traditionally, this involves keyword analysis within scholarly literature, yet comprehensive tools for such analysis are scarce, especially…

Digital Libraries · Computer Science 2024-03-28 Zhenyuan Lu , Wei Li , Burcu Ozek , Haozhou Zhou , Srinivasan Radhakrishnan , Sagar Kamarthi

Data analytics applications combine multiple functions from different libraries and frameworks. Even when each function is optimized in isolation, the performance of the combined application can be an order of magnitude below hardware…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-10-26 Shoumik Palkar , James Thomas , Deepak Narayanan , Anil Shanbhag , Rahul Palamuttam , Holger Pirk , Malte Schwarzkopf , Saman Amarasinghe , Samuel Madden , Matei Zaharia

Pandas is widely used for data science applications, but users often run into problems when datasets are larger than memory. There are several frameworks based on lazy evaluation that handle large datasets, but the programs have to be…

Databases · Computer Science 2025-01-15 Bhushan Pal Singh , Priyesh Kumar , Chiranmoy Bhattacharya , S. Sudarshan

Process mining techniques such as process discovery and conformance checking provide insights into actual processes by analyzing event data that are widely available in information systems. These data are very valuable, but often contain…

Cryptography and Security · Computer Science 2020-09-25 Majid Rafiei , Wil M. P. van der Aalst

Information theory, i.e. the mathematical analysis of information and of its processing, has become a tenet of modern science; yet, its use in real-world studies is usually hindered by its computational complexity, the lack of coherent…

Physics and Society · Physics 2025-08-18 Carlson Moses Büth , Kishor Acharya , Massimiliano Zanin

In this paper, we present a new Python library called mPyPl, which is intended to simplify complex data processing tasks using functional approach. This library defines operations on lazy data streams of named dictionaries represented as…

Programming Languages · Computer Science 2021-06-18 Dmitry Soshnikov , Yana Valieva

Tensors are higher-order extensions of matrices. While matrix methods form the cornerstone of machine learning and data analysis, tensor methods have been gaining increasing traction. However, software support for tensor operations is not…

Machine Learning · Computer Science 2018-05-10 Jean Kossaifi , Yannis Panagakis , Anima Anandkumar , Maja Pantic

The past decade has seen tremendous breakthroughs in computation and there is no indication that this will slow any time soon. Machine learning, large-scale computing resources, and increased industry focus have resulted in rising…

Software Engineering · Computer Science 2024-01-22 Fabian Zills , Moritz Schäfer , Samuel Tovey , Johannes Kästner , Christian Holm

Tuning a database system to achieve optimal performance on a given workload is a long-standing problem in the database community. A number of recent works have leveraged ML-based approaches to guide the sampling of large parameter spaces…

Applications are increasingly written as dynamic workflows underpinned by an execution framework that manages asynchronous computations across distributed hardware. However, execution frameworks typically offer one-size-fits-all solutions…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-18 J. Gregory Pauloski , Klaudiusz Rydzy , Valerie Hayot-Sasson , Ian Foster , Kyle Chard

Sparse linear algebra is a cornerstone of many scientific computing and machine learning applications. Python has become a popular choice for these applications due to its simplicity and ease of use. Yet high performance sparse kernels in…

Mathematical Software · Computer Science 2025-10-10 Keshvi Tuteja , Gregor Olenik , Roman Mishchuk , Yu-Hsiang Tsai , Markus Götz , Achim Streit , Hartwig Anzt , Charlotte Debus

This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Shen Li , Yanli Zhao , Rohan Varma , Omkar Salpekar , Pieter Noordhuis , Teng Li , Adam Paszke , Jeff Smith , Brian Vaughan , Pritam Damania , Soumith Chintala

To facilitate flexible and efficient structural bioinformatics analyses, new functionality for three-dimensional structure processing and analysis has been introduced into PyCogent -- a popular feature-rich framework for sequence-based…

Biomolecules · Quantitative Biology 2018-10-01 Marcin Cieslik , Zygmunt Derewenda , Cameron Mura

Data engineering is becoming an increasingly important part of scientific discoveries with the adoption of deep learning and machine learning. Data engineering deals with a variety of data formats, storage, data extraction, transformation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-14 Vibhatha Abeykoon , Niranda Perera , Chathura Widanage , Supun Kamburugamuve , Thejaka Amila Kanewala , Hasara Maithree , Pulasthi Wickramasinghe , Ahmet Uyar , Geoffrey Fox

Within the last years, Python became more prominent in the scientific community and is now used for simulations, machine learning, and data analysis. All these tasks profit from additional compute power offered by parallelism and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Andreas Gocht , Robert Schöne , Jan Frenzel

Dynamically typed languages such as Python have become very popular. Among other strengths, Python's dynamic nature and its straightforward linking to native code have made it the de-facto language for many research areas such as Artificial…

Programming Languages · Computer Science 2023-01-13 Wenting Zhao , Ibrahim Abdelaziz , Julian Dolby , Kavitha Srinivas , Mossad Helali , Essam Mansour

Deep learning has achieved impressive performance in many domains, such as computer vision and natural language processing, but its advantage over classical shallow methods on tabular datasets remains questionable. It is especially…

Machine Learning · Computer Science 2023-08-25 Witold Wydmański , Oleksii Bulenok , Marek Śmieja