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Inference Without Ground Truth: A Conceptual Theory of Validation in Materials AI
In the domain of materials artificial intelligence (AI), the lack of reliable ground truth poses significant challenges for validating inferential processes. This conceptual manuscript develops a novel theoretical framework for understanding validation dynamics in contexts where empirical benchmarks are scarce or contested. Drawing on recent literature in materials informatics, data bias, and epistemic values in science, the framework interprets validation as an integrative system of interaction dynamics between AI-generated inferences and epistemic feedback structures. It explores the analytical implications of managing trade-offs between uncertainty and bias, emphasizing systems-level insights into how inferential reliability emerges from iterative conceptual interpretations rather than direct empirical confrontation. The framework highlights ethical reasoning in steering logics that govern data curation and model deployment in materials discovery. By synthesizing these elements, the paper offers interpretive tools for navigating the epistemic landscape of AI-driven materials science, fostering more robust conceptual integration without relying on propositional claims or empirical validation. This approach contributes to applied AI in materials by illuminating pathways for enhanced inferential integrity amid inherent data ambiguities.
Journal of Artificial Intelligence for Materials Science
Original Research | Open access | 18 January 2022 | Article: 1
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