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Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

Physics-based numerical models have been the bedrock of atmospheric sciences for decades, offering robust solutions but often at the cost of significant computational resources. Deep learning (DL) models have emerged as powerful tools in…

Machine learning techniques are now routinely encountered in research laboratories across the globe. Impressive progress has been made through ML and AI techniques with regards to large data set processing. This progress has increased the…

Machine Learning · Computer Science 2026-02-27 Ilya Balabin , Thomas M. Kaiser

Climate simulations, at all grid resolutions, rely on approximations that encapsulate the forcing due to unresolved processes on resolved variables, known as parameterizations. Parameterizations often lead to inaccuracies in climate models,…

Artificial Neural Networks have reached Grandmaster and even super-human performance across a variety of games: from those involving perfect-information (such as Go) to those involving imperfect-information (such as Starcraft). Such…

Computers and Society · Computer Science 2020-08-18 John Mark Bishop

Causal analysis plays a foundational role in scientific discovery and reliable decision-making, yet it remains largely inaccessible to domain experts due to its conceptual and algorithmic complexity. This disconnect between causal…

Software engineering increasingly involves making high-stakes decisions under uncertainty, using signals from code, field data, and socio-technical processes. Recent AI-driven support (e.g., anomaly detection, predictive analytics, AIOps,…

Software Engineering · Computer Science 2026-05-05 Roberto Pietrantuono , Luca Giamattei , Stefano Russo , Julien Siebert , Neil Walkinshaw

Political science, and social science in general, have traditionally been using computational methods to study areas such as voting behavior, policy making, international conflict, and international development. More recently, increasingly…

Computation and Language · Computer Science 2020-05-15 Kakia Chatsiou , Slava Jankin Mikhaylov

Ensuring trustworthiness in machine learning (ML) systems is crucial as they become increasingly embedded in high-stakes domains. This paper advocates for integrating causal methods into machine learning to navigate the trade-offs among key…

Machine Learning · Computer Science 2026-03-16 Ruta Binkyte , Ivaxi Sheth , Zhijing Jin , Mohammad Havaei , Bernhard Schölkopf , Mario Fritz

Causal inference has been a pivotal challenge across diverse domains such as medicine and economics, demanding a complicated integration of human knowledge, mathematical reasoning, and data mining capabilities. Recent advancements in…

Computation and Language · Computer Science 2025-02-11 Jing Ma

Causal reasoning is essential to science, yet quantum theory challenges it. Quantum correlations violating Bell inequalities defy satisfactory causal explanations within the framework of classical causal models. What is more, a theory…

Quantum Physics · Physics 2021-03-05 Jonathan Barrett , Robin Lorenz , Ognyan Oreshkov

Causality is essential for understanding complex systems, such as the economy, the brain, and the climate. Constructing causal graphs often relies on either data-driven or expert-driven approaches, both fraught with challenges. The former…

Artificial Intelligence · Computer Science 2024-06-12 Kai-Hendrik Cohrs , Gherardo Varando , Emiliano Diaz , Vasileios Sitokonstantinou , Gustau Camps-Valls

Causality is a seminal concept in science: Any research discipline, from sociology and medicine to physics and chemistry, aims at understanding the causes that could explain the correlations observed among some measured variables. While…

We introduce a causal modeling framework that captures the input-output behavior of predictive models (e.g., machine learning models). The framework enables us to identify features that directly cause the predictions, which has broad…

Machine Learning · Computer Science 2025-05-20 Yizuo Chen , Amit Bhatia

Traditional models of climate change use complex systems of coupled equations to simulate physical processes across the Earth system. These simulations are highly computationally expensive, limiting our predictions of climate change and…

In many application areas---lending, education, and online recommenders, for example---fairness and equity concerns emerge when a machine learning system interacts with a dynamically changing environment to produce both immediate and…

Machine Learning · Computer Science 2020-07-07 Elliot Creager , David Madras , Toniann Pitassi , Richard Zemel

We consider the use of Deep Learning methods for modeling complex phenomena like those occurring in natural physical processes. With the large amount of data gathered on these phenomena the data intensive paradigm could begin to challenge…

Artificial Intelligence · Computer Science 2018-01-10 Emmanuel de Bezenac , Arthur Pajot , Patrick Gallinari

With the availability of large databases and recent improvements in deep learning methodology, the performance of AI systems is reaching or even exceeding the human level on an increasing number of complex tasks. Impressive examples of this…

Artificial Intelligence · Computer Science 2017-08-29 Wojciech Samek , Thomas Wiegand , Klaus-Robert Müller

Machine learning algorithms can produce biased outcome/prediction, typically, against minorities and under-represented sub-populations. Therefore, fairness is emerging as an important requirement for the large scale application of machine…

Machine Learning · Computer Science 2022-06-08 Karima Makhlouf , Sami Zhioua , Catuscia Palamidessi

Understanding causal relationships among features is fundamental for explaining machine learning model decisions. However, traditional causal discovery methods face challenges with categorical variables due to numerical instability in…

Artificial Intelligence · Computer Science 2026-01-30 Henry Salgado , Meagan R. Kendall , Martine Ceberio