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In this paper, we describe a research agenda for deriving design principles directly from data. We argue that it is time to go beyond manually curated and applied visualization design guidelines. We propose learning models of visualization…

Human-Computer Interaction · Computer Science 2018-08-17 Bahador Saket , Dominik Moritz , Halden Lin , Victor Dibia , Cagatay Demiralp , Jeffrey Heer

Self-driving laboratories have begun to replace human experimenters in performing single experimental skills or predetermined experimental protocols. However, as the pace of idea iteration in scientific research has been intensified by…

Artificial Intelligence · Computer Science 2025-04-08 Yu-Zhe Shi , Mingchen Liu , Fanxu Meng , Qiao Xu , Zhangqian Bi , Kun He , Lecheng Ruan , Qining Wang

Designing physical artifacts that serve a purpose - such as tools and other functional structures - is central to engineering as well as everyday human behavior. Though automating design has tremendous promise, general-purpose methods do…

For obtaining causal inferences that are objective, and therefore have the best chance of revealing scientific truths, carefully designed and executed randomized experiments are generally considered to be the gold standard. Observational…

Applications · Statistics 2008-11-12 Donald B. Rubin

Reweighting a distribution to minimize a distance to a target distribution is a powerful and flexible strategy for estimating a wide range of causal effects, but can be challenging in practice because optimal weights typically depend on…

Machine Learning · Statistics 2026-02-16 Oscar Clivio , Avi Feller , Chris Holmes

We give a first rigorous characterization of Operational Design Domains (ODDs) for Machine Learning (ML)-based aeronautical products. Unlike in other application sectors (such as self-driving road vehicles) where ODD development is…

Software Engineering · Computer Science 2023-07-18 Fateh Kaakai , Shridhar "Shreeder" Adibhatla , Ganesh Pai , Emmanuelle Escorihuela

Data-driven science is an emerging paradigm where scientific discoveries depend on the execution of computational AI models against rich, discipline-specific datasets. With modern machine learning frameworks, anyone can develop and execute…

Machine Learning · Computer Science 2022-08-09 Seth Ockerman , John Wu , Christopher Stewart

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

Machine Learning · Computer Science 2026-02-11 Cheng Zeng , Zulqarnain Khan , Nathan L. Post

Prediction-oriented machine learning is becoming increasingly valuable to organizations, as it may drive applications in crucial business areas. However, decision-makers from companies across various industries are still largely reluctant…

Software Engineering · Computer Science 2023-06-22 Giacomo Welsch , Peter Kowalczyk

Autonomous agents need large repertoires of skills to act reasonably on new tasks that they have not seen before. However, acquiring these skills using only a stream of high-dimensional, unstructured, and unlabeled observations is a tricky…

Machine Learning · Computer Science 2021-02-09 Andrii Zadaianchuk , Maximilian Seitzer , Georg Martius

In this paper, we propose a sensitivity-free and multi-objective structural design methodology called data-driven topology design. It is schemed to obtain high-performance material distributions from initially given material distributions…

Computational Physics · Physics 2025-05-02 Shintaro Yamasaki , Kentaro Yaji , Kikuo Fujita

The design of induction machine is a challenging task due to different electromagnetic and thermal constraints. Quick estimation of machine's dimensions is important in the sales tool to provide quick quotations to customers based on…

Machine Learning · Computer Science 2023-07-03 Yasmin SarcheshmehPour , Tommi Ryyppo , Victor Mukherjee , Alex Jung

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates…

Machine Learning · Computer Science 2024-07-01 Saba Ghaffari , Ehsan Saleh , Alexander G. Schwing , Yu-Xiong Wang , Martin D. Burke , Saurabh Sinha

The purpose of this paper is to contribute to the challenge of transferring know-how, theories and methods from design research to the design processes in information science and technologies. More specifically, we shall consider a domain,…

Artificial Intelligence · Computer Science 2015-03-23 Akin Osman , Kazakçi Mines

This article makes discrete masked models for the generative modeling of discrete data controllable. The goal is to generate samples of a discrete random variable that adheres to a posterior distribution, satisfies specific constraints, or…

Machine Learning · Computer Science 2024-10-04 Wei Guo , Yuchen Zhu , Molei Tao , Yongxin Chen

As modern problems such as autonomous driving, control of robotic components, and medical diagnostics have become increasingly difficult to solve analytically, data-driven decision-making has seen a large gain in interest. Where there are…

Machine Learning · Computer Science 2022-09-27 Keith Badger

Engineering new molecules with desirable functions and properties has the potential to extend our ability to engineer proteins beyond what nature has so far evolved. Advances in the so-called "de novo" design problem have recently been…

Machine Learning · Computer Science 2023-10-17 Adam Winnifrith , Carlos Outeiral , Brian Hie

We have analyzed manufacturing data from several different semiconductor manufacturing plants, using decision tree induction software called Q-YIELD. The software generates rules for predicting when a given product should be rejected. The…

Machine Learning · Computer Science 2007-05-23 Peter D. Turney

Design is a factor that plays an important role in consumer purchase decisions. As the need for understanding and predicting various preferences for each customer increases along with the importance of mass customization, predicting…

Human-Computer Interaction · Computer Science 2024-05-14 Dongju Shin , Sunghee Lee , Namwoo Kang

In a regression task, a function is learned from labeled data to predict the labels at new data points. The goal is to achieve small prediction errors. In symbolic regression, the goal is more ambitious, namely, to learn an interpretable…

Machine Learning · Computer Science 2025-06-25 Paul Kahlmeyer , Joachim Giesen , Michael Habeck , Henrik Voigt