Xiaoyun Wang | Search arXiv

arXiv2026

The convergent laboratory: when AI reasoning, autonomous experiments, high performance and quantum computing reshape chemistry

This Comment emerges from TPC26 (https://tpc26.org), a conference convening leaders from academia, national laboratories, and industry who are reshaping materials science discovery. The meeting explored how AI, autonomous agents, self-driving labs, higher performance and quantum computing converge to amplify their individual impact on materials science discovery. The perspectives here reflect the firsthand experiences of researchers at these frontiers and capture the essence of this global endeavor. As AI-driven reasoning, autonomous agentic frameworks, self-driving laboratories, and fault-tolerant quantum processors mature simultaneously, we offer this Comment as a reference at what we believe is a tipping point of transformative advances and productive disruption in the chemical sciences.

cs.AI↗

arXiv2026

One Risk Down, Another Up: Cross-Risk Interactions Induced by LLM Defenses

Large Language Models (LLMs) are increasingly deployed in high-stakes settings, where they face diverse risks. Numerous defense strategies have been proposed to mitigate these risks, but they are almost always evaluated in isolation. This isolated view leaves a critical question open: does mitigating one risk inadvertently change a model's exposure to others? Beyond the well-studied risk-utility trade-off, we present the first systematic study of cross-risk interactions induced by LLM defenses. We propose CrossRiskEval, an evaluation paradigm that situates a defended model in a multi-dimensional risk space and quantifies how a defense built for one risk shifts the others. Among 166 cross-risk evaluations covering 32 defended models, 77.1% exhibit statistically significant cross-risk interactions. Most of these interactions amplify non-target risks, with increases exceeding 100% in some cases. Beyond behavioral evaluation, we conduct neuron-level analyses in seven selected cases to investigate one possible pathway associated with these interactions. We identify conflict-entangled neurons whose activation interventions produce opposing effects on proxies for the target and non-target risks. In conflict cases, restoring these neurons to their base-model activations partially reduces the corresponding risk increases, providing evidence that defense-induced changes to these neurons may contribute to the observed interactions. Building on this evidence, we propose Conflict-Aware Freezing, a training-time strategy that prevents direct updates to the parameters associated with the identified neurons. Across five conflict cases, it offsets 35%-196% of non-target risk amplification while meeting the original defense criterion.

cs.CR↗