Full-Stack Domain Enhancement for Combustion LLMs: Construction and Optimization

To advance foundation Large Language Models (LLMs) for combustion science, this study presents the first end-to-end framework for developing domain-specialized models for the combustion community. The framework comprises an AI-ready multimodal knowledge base at the 3.5 billion-token scale, extracted from over 200,000 peer-reviewed articles, 8,000 theses and dissertations, and approximately 400,000 lines of combustion CFD code; a rigorous and largely automated evaluation benchmark (CombustionQA, 436 questions across eight subfields); and a three-stage knowledge-injection pathway that progresses from lightweight retrieval-augmented generation (RAG) to knowledge-graph-enhanced retrieval and continued pretraining. We first quantitatively validate Stage 1 (naive RAG) and find a hard ceiling: standard RAG accuracy peaks at 60%, far surpassing zero-shot performance (23%) yet well below the theoretical upper bound (87%). We further demonstrate that this stage's performance is severely constrained by context contamination. Consequently, building a domain foundation model requires structured knowledge graphs and continued pretraining (Stages 2 and 3).

Large language models (LLMs) have demonstrated exceptional reasoning capabilities, and co-evolving paradigms have shown promising results in domains with verifiable reward signals, such as code and math. However, in unverifiable domains, such as scientific reasoning, these methods remain fragile due to unreliable solution evaluation and limited diversity in verification strategies. In this work, we propose Sci-CoE, a two-stage co-evolving framework for domains without verifiable feedback. The framework enables models to self-evolve as both solvers and verifiers by transitioning from sparse supervision to unsupervised learning. In the first stage, the model uses a small set of annotated data to establish fundamental correctness judgment anchors for the Verifier. In the second stage, we introduce a geometric reward mechanism that jointly considers consensus, reliability, and diversity, driving large-scale self-iteration on unlabeled data. Experiments on several general scientific benchmarks demonstrate that Sci-CoE enhances complex reasoning capabilities and exhibits strong scalability, facilitating the construction of more robust and diverse evaluation systems. Codes are available at https://github.com/InternScience/Sci-CoE.

Large Language Models (LLMs) have demonstrated exceptional logical reasoning capabilities but frequently struggle with the continuous spatiotemporal dynamics governed by Partial Differential Equations (PDEs), often resulting in non-physical hallucinations. Existing approaches typically resort to costly, domain-specific fine-tuning, which severely limits cross-domain generalization and interpretability. To bridge this gap, we propose OMNIFLOW, a neuro-symbolic architecture designed to ground frozen multimodal LLMs in fundamental physical laws without requiring domain-specific parameter updates. OMNIFLOW introduces a novel Semantic-Symbolic Alignment mechanism that projects high-dimensional flow tensors into topological linguistic descriptors, enabling the model to perceive physical structures rather than raw pixel values. Furthermore, we construct a Physics-Guided Chain-of-Thought (PG-CoT) workflow that orchestrates reasoning through dynamic constraint injection (e.g., mass conservation) and iterative reflexive verification. We evaluate OMNIFLOW on a comprehensive benchmark spanning microscopic turbulence, theoretical Navier-Stokes equations, and macroscopic global weather forecasting. Empirical results demonstrate that OMNIFLOW significantly outperforms traditional deep learning baselines in zero-shot generalization and few-shot adaptation tasks. Crucially, it offers transparent, physically consistent reasoning reports, marking a paradigm shift from black-box fitting to interpretable scientific reasoning.