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Autonomous experimentation systems have been used to greatly advance the integrated computational materials engineering (ICME) paradigm. This paper outlines a framework that enables the design and selection of data collection workflows for…

Materials Science · Physics 2022-06-20 Rohan Casukhela , Sriram Vijayan , Joerg R. Jinschek , Stephen R. Niezgoda

Visual analytics (VA) workflows are inherently complex, involving data transformation, feature engineering, visual representation, and human interpretation. They are typically described in unstructured prose, hindering systematic…

Artificial Intelligence · Computer Science 2026-05-26 Natalia Andrienko , Gennady Andrienko , Jürgen Bernard , Michael Sedlmair

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets…

Machine Learning · Computer Science 2023-05-17 Cyril Picard , Jürg Schiffmann , Faez Ahmed

Modern advanced analytics applications make use of machine learning techniques and contain multiple steps of domain-specific and general-purpose processing with high resource requirements. We present KeystoneML, a system that captures and…

Machine Learning · Computer Science 2016-11-01 Evan R. Sparks , Shivaram Venkataraman , Tomer Kaftan , Michael J. Franklin , Benjamin Recht

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

A computational workflow, also known as workflow, consists of tasks that must be executed in a specific order to attain a specific goal. Often, in fields such as biology, chemistry, physics, and data science, among others, these workflows…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-14 George Papadimitriou , Hongwei Jin , Cong Wang , Rajiv Mayani , Krishnan Raghavan , Anirban Mandal , Prasanna Balaprakash , Ewa Deelman

Unstructured text has long been difficult to automatically analyze at scale. Large language models (LLMs) now offer a way forward by enabling {\em semantic data processing}, where familiar data processing operators (e.g., map, reduce,…

Human-Computer Interaction · Computer Science 2025-04-22 Shreya Shankar , Bhavya Chopra , Mawil Hasan , Stephen Lee , Björn Hartmann , Joseph M. Hellerstein , Aditya G. Parameswaran , Eugene Wu

In this paper, we present our vision of differentiable ML pipelines called DiffML to automate the construction of ML pipelines in an end-to-end fashion. The idea is that DiffML allows to jointly train not just the ML model itself but also…

Databases · Computer Science 2022-07-06 Benjamin Hilprecht , Christian Hammacher , Eduardo Reis , Mohamed Abdelaal , Carsten Binnig

We present DataFlow, a computational framework for building, testing, and deploying high-performance machine learning systems on unbounded time-series data. Traditional data science workflows assume finite datasets and require substantial…

Machine Learning · Computer Science 2026-01-01 Giacinto Paolo Saggese , Paul Smith

We introduce ELIT, the Emory Language and Information Toolkit, which is a comprehensive NLP framework providing transformer-based end-to-end models for core tasks with a special focus on memory efficiency while maintaining state-of-the-art…

Computation and Language · Computer Science 2021-09-10 Han He , Liyan Xu , Jinho D. Choi

Predicting low-energy molecular conformations given a molecular graph is an important but challenging task in computational drug discovery. Existing state-of-the-art approaches either resort to large scale transformer-based models that…

Quantitative Methods · Quantitative Biology 2024-10-31 Majdi Hassan , Nikhil Shenoy , Jungyoon Lee , Hannes Stark , Stephan Thaler , Dominique Beaini

We present FlowIt, a novel architecture for optical flow estimation designed to robustly handle large pixel displacements. At its core, FlowIt leverages a hierarchical transformer architecture that captures extensive global context,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Sadra Safadoust , Fabio Tosi , Matteo Poggi , Fatma Güney

Optimizing a machine learning pipeline for a task at hand requires careful configuration of various hyperparameters, typically supported by an AutoML system that optimizes the hyperparameters for the given training dataset. Yet, depending…

Machine Learning · Computer Science 2023-10-17 Felix Neutatz , Marius Lindauer , Ziawasch Abedjan

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing…

Traditional Data+AI systems utilize data-driven techniques to optimize performance, but they rely heavily on human experts to orchestrate system pipelines, enabling them to adapt to changes in data, queries, tasks, and environments. For…

Databases · Computer Science 2025-07-03 Zhaoyan Sun , Jiayi Wang , Xinyang Zhao , Jiachi Wang , Guoliang Li

Recent work has made significant progress in helping users to automate single data preparation steps, such as string-transformations and table-manipulation operators (e.g., Join, GroupBy, Pivot, etc.). We in this work propose to automate…

Databases · Computer Science 2021-08-05 Junwen Yang , Yeye He , Surajit Chaudhuri

Over the past decade, data science and machine learning has grown from a mysterious art form to a staple tool across a variety of fields in academia, business, and government. In this paper, we introduce the concept of tree-based pipeline…

Machine Learning · Computer Science 2016-02-01 Randal S. Olson , Ryan J. Urbanowicz , Peter C. Andrews , Nicole A. Lavender , La Creis Kidd , Jason H. Moore

Data preprocessing is a fundamental part of any machine learning application and frequently the most time-consuming aspect when developing a machine learning solution. Preprocessing for deep learning is characterized by pipelines that…

Machine Learning · Computer Science 2018-01-11 S. Maetschke , R. Tennakoon , C. Vecchiola , R. Garnavi

Modern networks carry increasingly diverse and encrypted traffic types that demand classification techniques beyond traditional port-based and payload-based methods. This tutorial provides a practical, end-to-end guide to building…

Networking and Internet Architecture · Computer Science 2026-01-08 Adrian Pekar , Richard Plny , Karel Hynek

Relational tables, where each row corresponds to an entity and each column corresponds to an attribute, have been the standard for tables in relational databases. However, such a standard cannot be taken for granted when dealing with tables…

Databases · Computer Science 2023-08-10 Peng Li , Yeye He , Cong Yan , Yue Wang , Surajit Chaudhuri
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