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Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of empirical force fields and density functional theory (DFT).…

NLP Workbench is a web-based platform for text mining that allows non-expert users to obtain semantic understanding of large-scale corpora using state-of-the-art text mining models. The platform is built upon latest pre-trained models and…

Computation and Language · Computer Science 2024-03-06 Peiran Yao , Matej Kosmajac , Abeer Waheed , Kostyantyn Guzhva , Natalie Hervieux , Denilson Barbosa

Deep learning hyper-parameter optimization is a tough task. Finding an appropriate network configuration is a key to success, however most of the times this labor is roughly done. In this work we introduce a novel library to tackle this…

Machine Learning · Computer Science 2018-07-11 Andrés Camero , Jamal Toutouh , Enrique Alba

MLPerf, an emerging machine learning benchmark suite strives to cover a broad range of applications of machine learning. We present a study on its characteristics and how the MLPerf benchmarks differ from some of the previous deep learning…

Machine Learning · Computer Science 2019-08-27 Snehil Verma , Qinzhe Wu , Bagus Hanindhito , Gunjan Jha , Eugene B. John , Ramesh Radhakrishnan , Lizy K. John

The task of developing a machine learning (ML) model for a particular problem is inherently open-ended, and there is an unbounded set of possible solutions. Steps of the ML development pipeline, such as feature engineering, loss function…

Human-Computer Interaction · Computer Science 2022-04-05 Peter Washington , Aayush Nandkeolyar , Sam Yang

Machine Learning (ML) is increasingly used to automate impactful decisions, which leads to concerns regarding their correctness, reliability, and fairness. We envision highly-automated software platforms to assist data scientists with…

Databases · Computer Science 2024-09-04 Stefan Grafberger

Recently, Machine Learning (ML) has become a widely accepted method for significant progress that is rapidly evolving. Since it employs computational methods to teach machines and produce acceptable answers. The significance of the Machine…

Machine Learning · Computer Science 2023-08-23 Samar Wazir , Gautam Siddharth Kashyap , Parag Saxena

The NLP community has witnessed steep progress in a variety of tasks across the realms of monolingual and multilingual language processing recently. These successes, in conjunction with the proliferating mixed language interactions on…

Computation and Language · Computer Science 2021-06-14 Sai Muralidhar Jayanthi , Kavya Nerella , Khyathi Raghavi Chandu , Alan W Black

This paper introduces pyRecLab, a software library written in C++ with Python bindings which allows to quickly train, test and develop recommender systems. Although there are several software libraries for this purpose, only a few let…

Software Engineering · Computer Science 2017-07-12 Gabriel Sepulveda , Vicente Dominguez , Denis Parra

A C library for random number generation, Randompack, is presented. The library implements several modern random number generators (engines), including xoshiro256, PCG64, Philox, ranlux++, and sfc64; 14 continuous distributions including…

Applications · Statistics 2026-05-11 Kristján Jónasson

Motivation: Novel machine learning and statistical modeling studies rely on standardized comparisons to existing methods using well-studied benchmark datasets. Few tools exist that provide rapid access to many of these datasets through a…

As data science and machine learning methods are taking on an increasingly important role in the materials research community, there is a need for the development of machine learning software tools that are easy to use (even for nonexperts…

Computational Physics · Physics 2020-06-26 Ryan Jacobs , Tam Mayeshiba , Ben Afflerbach , Luke Miles , Max Williams , Matthew Turner , Raphael Finkel , Dane Morgan

Python bindings are a critical bridge between high-performance C++ libraries and the flexibility of Python, enabling rapid prototyping, reproducible experiments, and integration with simulation and learning frameworks in robotics research.…

Robotics · Computer Science 2026-03-06 Weihang Guo , Theodoros Tyrovouzis , Lydia E. Kavraki

In recent years, the concept of automated machine learning has become very popular. Automated Machine Learning (AutoML) mainly refers to the automated methods for model selection and hyper-parameter optimization of various algorithms such…

Machine Learning · Computer Science 2021-08-09 Sayan Putatunda , Dayananda Ubrangala , Kiran Rama , Ravi Kondapalli

Background. The rapid and growing popularity of machine learning (ML) applications has led to an increasing interest in MLOps, that is, the practice of continuous integration and deployment (CI/CD) of ML-enabled systems. Aims. Since changes…

Software Engineering · Computer Science 2022-09-26 Fabio Calefato , Filippo Lanubile , Luigi Quaranta

As data are generated more and more from multiple disparate sources, multiview data sets, where each sample has features in distinct views, have ballooned in recent years. However, no comprehensive package exists that enables…

This white paper introduces my educational community initiative to learn how to run AI, ML and other emerging workloads in the most efficient and cost-effective way across diverse models, data sets, software and hardware. This project…

Machine Learning · Computer Science 2024-12-03 Grigori Fursin

We present POLO --- a C++ library for large-scale parallel optimization research that emphasizes ease-of-use, flexibility and efficiency in algorithm design. It uses multiple inheritance and template programming to decompose algorithms into…

Optimization and Control · Mathematics 2018-10-09 Arda Aytekin , Martin Biel , Mikael Johansson

To exploit both memory locality and the full performance potential of highly tuned kernels, dense linear algebra libraries such as LAPACK commonly implement operations as blocked algorithms. However, to achieve next-to-optimal performance…

Mathematical Software · Computer Science 2022-04-08 Elmar Peise , Paolo Bientinesi

MLModelCI provides multimedia researchers and developers with a one-stop platform for efficient machine learning (ML) services. The system leverages DevOps techniques to optimize, test, and manage models. It also containerizes and deploys…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-16 Huaizheng Zhang , Yuanming Li , Yizheng Huang , Yonggang Wen , Jianxiong Yin , Kyle Guan