Abstract:Foundation models in general promise to accelerate scientific computation by learning reusable representations across problem instances, yet constrained scientific systems, where predictions must satisfy physical laws and safety limits, pose unique challenges that stress conventional training paradigms. We derive design principles for constrained scientific foundation models through systematic investigation of AC optimal power flow (ACOPF), a representative optimization problem in power grid operations where power balance equations and operational constraints are non-negotiable. Through controlled experiments spanning architectures, training objectives, and system diversity, we extract three empirically grounded principles governing scientific foundation model design. These principles characterize three design trade-offs: learning physics-invariant representations while respecting system-specific constraints, optimizing accuracy while ensuring constraint satisfaction, and ensuring reliability in high-impact operating regimes. We present the LUMINA framework, including data processing and training pipelines to support reproducible research on physics-informed, feasibility-aware foundation models across scientific applications.




Abstract:Large Language Models (LLMs) have benefited enormously from scaling, yet these gains are bounded by five fundamental limitations: (1) hallucination, (2) context compression, (3) reasoning degradation, (4) retrieval fragility, and (5) multimodal misalignment. While existing surveys describe these phenomena empirically, they lack a rigorous theoretical synthesis connecting them to the foundational limits of computation, information, and learning. This work closes that gap by presenting a unified, proof-informed framework that formalizes the innate theoretical ceilings of LLM scaling. First, computability and uncomputability imply an irreducible residue of error: for any computably enumerable model family, diagonalization guarantees inputs on which some model must fail, and undecidable queries (e.g., halting-style tasks) induce infinite failure sets for all computable predictors. Second, information-theoretic and statistical constraints bound attainable accuracy even on decidable tasks, finite description length enforces compression error, and long-tail factual knowledge requires prohibitive sample complexity. Third, geometric and computational effects compress long contexts far below their nominal size due to positional under-training, encoding attenuation, and softmax crowding. We further show how likelihood-based training favors pattern completion over inference, how retrieval under token limits suffers from semantic drift and coupling noise, and how multimodal scaling inherits shallow cross-modal alignment. Across sections, we pair theorems and empirical evidence to outline where scaling helps, where it saturates, and where it cannot progress, providing both theoretical foundations and practical mitigation paths like bounded-oracle retrieval, positional curricula, and sparse or hierarchical attention.