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Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…

We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio…

Chemical Physics · Physics 2021-06-23 Yixiao Chen , Linfeng Zhang , Han Wang , Weinan E

With deep learning models rapidly growing in size, systems-level solutions for large-model training are required. We present Amazon SageMaker model parallelism, a software library that integrates with PyTorch, and enables easy training of…

In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for molecular dynamics (MD) simulations and related applications.…

Over the past decade, the fourth paradigm of data-intensive science rapidly became a major driving concept of multiple application domains encompassing and generating large-scale devices such as light sources and cutting edge telescopes.…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-06-05 Nikolay Malitsky , Ralph Castain , Matt Cowan

In the process of knowledge discovery and representation in large datasets using formal concept analysis, complexity plays a major role in identifying all the formal concepts and constructing the concept lattice(digraph of the concepts).…

Artificial Intelligence · Computer Science 2018-07-09 Raghavendra K Chunduri , Aswani Kumar Cherukuri

The $\texttt{torch-choice}$ is an open-source library for flexible, fast choice modeling with Python and PyTorch. $\texttt{torch-choice}$ provides a $\texttt{ChoiceDataset}$ data structure to manage databases flexibly and…

Machine Learning · Computer Science 2025-06-05 Tianyu Du , Ayush Kanodia , Susan Athey

We propose SPARC, a lightweight continual learning framework for large language models (LLMs) that enables efficient task adaptation through prompt tuning in a lower-dimensional space. By leveraging principal component analysis (PCA), we…

Machine Learning · Computer Science 2025-02-06 Dinithi Jayasuriya , Sina Tayebati , Davide Ettori , Ranganath Krishnan , Amit Ranjan Trivedi

We present CodeReef - an open platform to share all the components necessary to enable cross-platform MLOps (MLSysOps), i.e. automating the deployment of ML models across diverse systems in the most efficient way. We also introduce the…

Machine Learning · Computer Science 2020-01-28 Grigori Fursin , Herve Guillou , Nicolas Essayan

Symbolic Machine Learning Prover (SMLP) is a tool and a library for system exploration based on data samples obtained by simulating or executing the system on a number of input vectors. SMLP aims at exploring the system based on this data…

Machine Learning · Computer Science 2024-02-05 Franz Brauße , Zurab Khasidashvili , Konstantin Korovin

DeepLab2 is a TensorFlow library for deep labeling, aiming to provide a state-of-the-art and easy-to-use TensorFlow codebase for general dense pixel prediction problems in computer vision. DeepLab2 includes all our recently developed…

We present DeepAL, a Python library that implements several common strategies for active learning, with a particular emphasis on deep active learning. DeepAL provides a simple and unified framework based on PyTorch that allows users to…

Machine Learning · Computer Science 2021-12-01 Kuan-Hao Huang

Extending the success of deep neural networks to natural language understanding and symbolic reasoning requires complex operations and external memory. Recent neural program induction approaches have attempted to address this problem, but…

Computation and Language · Computer Science 2016-12-06 Chen Liang , Jonathan Berant , Quoc Le , Kenneth D. Forbus , Ni Lao

The rapid advancement of natural language processing (NLP) technologies, such as instruction-tuned large language models (LLMs), urges the development of modern evaluation protocols with human and machine feedback. We introduce Evalica, an…

Computation and Language · Computer Science 2024-12-17 Dmitry Ustalov

The literature on structured prediction for NLP describes a rich collection of distributions and algorithms over sequences, segmentations, alignments, and trees; however, these algorithms are difficult to utilize in deep learning…

Computation and Language · Computer Science 2020-02-04 Alexander M. Rush

Custom policy-learning pipelines in Spark fail for two coupled systems reasons: rowwise Python execution makes inference impractical, and driver-side candidate materialization makes split search fragile at feature scale. We present Spark…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-29 Zeyu Bai

Large Language Models enable users to access database using natural language interfaces using tools like Text2SQL, Text2SPARQL, and Text2Cypher, which translate user questions into structured database queries. While these systems improve…

Computation and Language · Computer Science 2026-05-12 Makbule Gulcin Ozsoy

Lakehouse systems have reached in the past few years unprecedented size and heterogeneity and have been embraced by many industry players. However, they are often difficult to use as they lack the declarative language and optimization…

Databases · Computer Science 2021-12-24 Ghislain Fourny , David Dao , Can Berker Cikis , Ce Zhang , Gustavo Alonso

We present the Explabox: an open-source toolkit for transparent and responsible machine learning (ML) model development and usage. Explabox aids in achieving explainable, fair and robust models by employing a four-step strategy: explore,…

Machine Learning · Computer Science 2024-11-26 Marcel Robeer , Michiel Bron , Elize Herrewijnen , Riwish Hoeseni , Floris Bex

Machine learning models that take computer program source code as input typically use Natural Language Processing (NLP) techniques. However, a major challenge is that code is written using an open, rapidly changing vocabulary due to, e.g.,…

Machine Learning · Computer Science 2019-05-21 Milan Cvitkovic , Badal Singh , Anima Anandkumar