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Teaching Language Models Mechanistic Explainability Through MechSMILES

arXiv:2512.05722v2 Announce Type: replace Abstract: Chemical reaction mechanisms are the foundation of how chemists evaluate reactivity and feasibility, yet current Computer-Assisted Synthesis Planning (CASP) systems operate without this mechanistic reasoning. We introduce a computational framework that teaches language models to…

AdaBoost Does Not Always Cycle: A Computer-Assisted Counterexample

arXiv:2604.07055v2 Announce Type: replace Abstract: We give a computer-assisted counterexample to the open question, posed by Rudin, Schapire, and Daubechies in COLT 2012, of whether exhaustive AdaBoost always converges to a finite cycle. The construction is based on a block-product…

Evaluating LLM Simulators as Differentially Private Data Generators

arXiv:2604.15461v1 Announce Type: new Abstract: LLM-based simulators offer a promising path for generating complex synthetic data where traditional differentially private (DP) methods struggle with high-dimensional user profiles. But can LLMs faithfully reproduce statistical distributions from DP-protected inputs? We evaluate this…