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Paper · arXiv

Physical Simulators as Do-Operators: Causal Discovery under Latent Confounders for AI-for-Science

Existing interventional causal discovery methods -- IGSP, DCDI, ENCO -- assume causal sufficiency (no latent confounders) and rely on virtual interventions in synthetic simulators. In AI-for-Science settings such as molecular design and materials science, latent confounders are ubiquitous and real interventions (e.g., physics-based simulations) require hours to days per data point. We propose CFM-SD (Causal Flow Matching with Simulation Data), which uses first-principles physical simulators as do-operators in Pearl's interventional calculus to simultaneously handle latent confounders and real interventional data. Theoretically, $d$-variable causal structure is identifiable with $O(d)$ sin...

AuthorsTsuyoshi Okita
Primary categorycs.LG
Published8 May 2026
Last updated at source8 May 2026
cs.LGcs.AIcs.ET
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