PID tuning for chemical processes commonly relies on identified process models, whereas plant engineers often retune loops iteratively by observing responses, diagnosing deficiencies, adjusting gains, and validating the result. This work formalizes this engineer-like workflow in a language-model-assisted PID tuning framework applicable to both large and small language models (LLMs/SLMs). Hosted LLMs receive closed-loop response features, control-engineering diagnoses, tuning preferences, and internal model control (IMC)-based demonstrations to generate and iteratively correct PID gains under common acceptance criteria. For local deployment, Qwen3-0.6B is adapted through supervised fine-tuning (SFT) with simulation-verified IMC targets and physics-informed group relative policy optimization (PI-GRPO) with non-compensable stability and performance rewards. On 100 first-order plus dead time (FOPDT) and 100 second-order plus dead time (SOPDT) test cases, hosted LLMs (DeepSeek-V4-Flash and Qwen3.7-Plus) achieve final success rates of 75-89% and 77-79%, respectively. As for Qwen3-0.6B, supervised fine-tuning raises first-recommendation success to 86.5%, and PI-GRPO further increases it to 94.0%, primarily improving first-attempt reliability and stability margins.
Zhan'ao Yao, Boxuan Zhang, Jingyuan Shu +10cond-mat.mtrl-sci cs.AI
Progress in AI-driven crystal materials science has so far been carried by narrow architectures purpose-built for individual tasks -- graph neural networks for property prediction, diffusion and flow-matching models for crystal generation -- each excelling within its niche yet unable to act as a shared backbone across the full spectrum of materials problems. Generative large language models offer a fundamentally different paradigm, in which structural representation, quantitative prediction, and structure-activity reasoning can be unified within one model, but the materials community has yet to see this paradigm realized at a level competitive with established narrow specialists. Here we present MatMind, a generative foundation model purpose-built for crystal materials science under this paradigm, developed through the coordinated activation of structure-activity knowledge and physics-informed feedback within a progressive training framework -- combining structure-activity knowledge injection, a dual-head architecture that jointly trains language reasoning and numerical regression in a shared representation space, and multi-objective physics-informed reinforcement learning over stability, novelty, and structural diversity. Across three task families, MatMind attains the lowest mean absolute error on energy above hull, bulk modulus, and band gap -- surpassing graph neural network predictors purpose-built for these tasks -- reaches an S.U.N. rate of 65.3% on unconditional crystal generation, and achieves a comparable multiplicative improvement on magnetization-density-conditioned generation, where only 21 positive samples exist within over 600000 training entries. By matching or surpassing narrow specialists on their own ground while operating within a single unified model, MatMind shows that the LLM-based paradigm can serve as a viable backbone for crystal materials science going forward.