We propose PRECEDE, a precedent-guided co-scientist for side-effect-aware drug redesign that revises a parent compound to mitigate a specified side effect while preserving therapeutic function. Rather than isolated molecular generation, PRECEDE frames redesign as evidence-grounded reasoning over drug--side-effect associations, biomedical knowledge graphs, and precedents of safety-driven optimization, coordinated by an LLM orchestrator with explicit policies and human-review checkpoints. We position PRECEDE as a human-supervised AI-for-science workflow in which hypotheses remain auditable, falsifiable, and bounded by prior pharmacology.
Thermal runaway in lithium-ion batteries poses a major safety risk to electric vehicles and energy storage systems. Current early-warning methods depend mainly on temperature and may therefore miss mechanical precursors that emerge before rapid heating. We introduce a regime-awar…
Long-tailed learning couples two sources of poor generalization: head classes dominate training exposure, while under-represented classes often converge to sharper regions of the loss landscape. Conventional re-sampling addresses the former without considering geometry, whereas e…
Current computational approaches for drug design typically focus on generating molecules conditioned on specific targets or general molecular properties, often neglecting the influence of disease context on target behavior and therapeutic outcomes. To address this gap, we introdu…
Sharpness-Aware Minimization (SAM) improves generalization by minimizing the worst-case loss in a local parameter neighborhood. Standard SAM implicitly allocates its global perturbation budget across parameter blocks according to instantaneous minibatch gradient norms. Such an al…
Direct Alignment Algorithms (DAAs) such as DPO have become a common way to post-train and align LLMs with human preferences. However, DAAs have been observed to over-optimize their implicit reward model and decrease the likelihood of preferred responses. This results in a decreas…
Traditional reinforcement learning (RL) for recovery in autonomous systems lacks causal understanding and generalizes poorly to novel failure scenarios. RL policies often stall in failure states, spending up to 70% of an episode immobilized. Rule-based recovery alone is inadequat…