Gaps remain in our understanding of how large language models (LLMs) acquire knowledge during pre-training. We posit that auxiliary views, reformulations of knowledge, are causally helpful for learning. We design controlled experiments to isolate this. First, we confirm that repetition is necessary for acquisition and clarify that paraphrasing helps only at smaller batch sizes. Second, holding the token budget fixed, allocating tokens from document repetition to auxiliary views improves learning, counterintuitively, even for factual recall. Third, the effectiveness of auxiliary views is not contingent on the strength of the teacher model that generates them. Fourth, we identify forms of knowledge, contextual and foundational, that aid learning in the presence of prior knowledge gaps. Finally, we examine how these effects manifest mechanistically via layer-wise biases and compression. Together, our findings suggest that auxiliary representations of knowledge, which arise naturally in large pre-training corpora, are a key factor in the success of pre-training and offer a plausible explanation for why data diversity matters.
Yuchen Xia, Michael Weyrich, Nasser Jazdi +6cs.AI cs.CL cs.MA cs.SE
Large language models (LLMs) have shown strong capabilities in reasoning, planning, and tool use, but many scientific and engineering tasks require more than plausible text and code generation. They require understanding how a system responds to intervention, which in practice depends on controlled experimentation. In this work, we propose a multi-agent framework that enables LLM agents to conduct controlled experiments with scientific simulation models for pharmaceutical process design. Given a user query and a baseline configuration, the system constructs a structured task representation, designs experiments, executes comparative simulation, interprets the resulting outcomes, and synthesizes evidence-based recommendations for process parameter optimization. By coupling language models with high-fidelity simulation models in an interactive agent framework, the proposed system supports reasoning through intervention, comparison, and observation. As a result, it produces more specific and actionable outputs than language-only reasoning. In an industrial application setting, this advantage is reflected in higher output specificity as well as improved user-rated correctness and helpfulness. Ablation studies and visualized case analyses further demonstrate the effectiveness and practical utility of simulation-integrated experimental reasoning.