Large language models for causal hypothesis generation in science

Towards the goal of understanding the causal structure underlying complex systems—such as the Earth, the climate, or the brain—integrating Large language models (LLMs) with data-driven and domain-expertise-driven approaches has the potential to become a game-changer, especially in data and expertise...

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Main Authors: Kai-Hendrik Cohrs, Emiliano Diaz, Vasileios Sitokonstantinou, Gherardo Varando, Gustau Camps-Valls
Format: Article
Language:English
Published: IOP Publishing 2025-01-01
Series:Machine Learning: Science and Technology
Subjects:
Online Access:https://doi.org/10.1088/2632-2153/ada47f
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author Kai-Hendrik Cohrs
Emiliano Diaz
Vasileios Sitokonstantinou
Gherardo Varando
Gustau Camps-Valls
author_facet Kai-Hendrik Cohrs
Emiliano Diaz
Vasileios Sitokonstantinou
Gherardo Varando
Gustau Camps-Valls
author_sort Kai-Hendrik Cohrs
collection DOAJ
description Towards the goal of understanding the causal structure underlying complex systems—such as the Earth, the climate, or the brain—integrating Large language models (LLMs) with data-driven and domain-expertise-driven approaches has the potential to become a game-changer, especially in data and expertise-limited scenarios. Debates persist around LLMs’ causal reasoning capacities. However, rather than engaging in philosophical debates, we propose integrating LLMs into a scientific framework for causal hypothesis generation alongside expert knowledge and data. Our goals include formalizing LLMs as probabilistic imperfect experts, developing adaptive methods for causal hypothesis generation, and establishing universal benchmarks for comprehensive comparisons. Specifically, we introduce a spectrum of integration methods for experts, LLMs, and data-driven approaches. We review existing approaches for causal hypothesis generation and classify them within this spectrum. As an example, our hybrid (LLM + data) causal discovery algorithm illustrates ways for deeper integration. Characterizing imperfect experts along dimensions such as (1) reliability, (2) consistency, (3) uncertainty, and (4) content vs. reasoning are emphasized for developing adaptable methods. Lastly, we stress the importance of model-agnostic benchmarks.
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institution Kabale University
issn 2632-2153
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publishDate 2025-01-01
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series Machine Learning: Science and Technology
spelling doaj-art-6605f3b5eace4ea9802d52c10afa0e722025-01-31T13:28:55ZengIOP PublishingMachine Learning: Science and Technology2632-21532025-01-016101300110.1088/2632-2153/ada47fLarge language models for causal hypothesis generation in scienceKai-Hendrik Cohrs0https://orcid.org/0000-0002-2286-7487Emiliano Diaz1https://orcid.org/0000-0001-8410-6635Vasileios Sitokonstantinou2https://orcid.org/0000-0001-5506-2872Gherardo Varando3https://orcid.org/0000-0002-6708-1103Gustau Camps-Valls4https://orcid.org/0000-0003-1683-2138Image Processing Laboratory (IPL), Universitat de València , València, SpainImage Processing Laboratory (IPL), Universitat de València , València, SpainImage Processing Laboratory (IPL), Universitat de València , València, SpainImage Processing Laboratory (IPL), Universitat de València , València, SpainImage Processing Laboratory (IPL), Universitat de València , València, SpainTowards the goal of understanding the causal structure underlying complex systems—such as the Earth, the climate, or the brain—integrating Large language models (LLMs) with data-driven and domain-expertise-driven approaches has the potential to become a game-changer, especially in data and expertise-limited scenarios. Debates persist around LLMs’ causal reasoning capacities. However, rather than engaging in philosophical debates, we propose integrating LLMs into a scientific framework for causal hypothesis generation alongside expert knowledge and data. Our goals include formalizing LLMs as probabilistic imperfect experts, developing adaptive methods for causal hypothesis generation, and establishing universal benchmarks for comprehensive comparisons. Specifically, we introduce a spectrum of integration methods for experts, LLMs, and data-driven approaches. We review existing approaches for causal hypothesis generation and classify them within this spectrum. As an example, our hybrid (LLM + data) causal discovery algorithm illustrates ways for deeper integration. Characterizing imperfect experts along dimensions such as (1) reliability, (2) consistency, (3) uncertainty, and (4) content vs. reasoning are emphasized for developing adaptable methods. Lastly, we stress the importance of model-agnostic benchmarks.https://doi.org/10.1088/2632-2153/ada47fcausalitylarge language modelshypothesis generationsciencecausal discovery
spellingShingle Kai-Hendrik Cohrs
Emiliano Diaz
Vasileios Sitokonstantinou
Gherardo Varando
Gustau Camps-Valls
Large language models for causal hypothesis generation in science
Machine Learning: Science and Technology
causality
large language models
hypothesis generation
science
causal discovery
title Large language models for causal hypothesis generation in science
title_full Large language models for causal hypothesis generation in science
title_fullStr Large language models for causal hypothesis generation in science
title_full_unstemmed Large language models for causal hypothesis generation in science
title_short Large language models for causal hypothesis generation in science
title_sort large language models for causal hypothesis generation in science
topic causality
large language models
hypothesis generation
science
causal discovery
url https://doi.org/10.1088/2632-2153/ada47f
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AT emilianodiaz largelanguagemodelsforcausalhypothesisgenerationinscience
AT vasileiossitokonstantinou largelanguagemodelsforcausalhypothesisgenerationinscience
AT gherardovarando largelanguagemodelsforcausalhypothesisgenerationinscience
AT gustaucampsvalls largelanguagemodelsforcausalhypothesisgenerationinscience