arXiv subjects

Peiyu Zhang

Publications and source records attributed to Peiyu Zhang.

3 recordsLinked to original sources

arXiv2026

Auditing Multi-Agent LLM Reasoning Trees Outperforms Majority Vote and LLM-as-Judge

Multi-agent systems (MAS) can substantially extend the reasoning capacity of large language models (LLMs). Most MAS frameworks aggregate agent outputs via simple majority voting, discarding the evidential structure of reasoning traces. Majority voting is brittle under confabulation consensus, where agents share correlated biases and converge on the same incorrect rationale. We introduce AgentAuditor, which moves beyond frequency-based aggregation by organizing agent traces into a Reasoning Tree that explicitly represents agreements and divergences in their reasoning. AgentAuditor resolves conflicts by comparing branch-level evidence at critical divergence points, turning global adjudication into efficient, localized verification. We further propose Anti-Consensus Preference Optimization (ACPO), which trains the adjudicator with evidence-verified preference supervision to reduce conformity to misleading majority cues. Across four MAS frameworks and multiple reasoning benchmarks, AgentAuditor consistently improves aggregation performance over majority voting, with gains of up to 5% absolute accuracy while remaining token-efficient.

cs.AI↗

arXiv2026

CARE: Context-Aware Ranking Evolution with Executable Scoring Programs for Budgeted Reaction Optimization

High-throughput experimentation can evaluate many reaction conditions, yet combinatorial condition spaces still exceed the available experiment budget. This makes experiment selection a sequential decision problem: each new condition must be chosen from limited observations before its outcome is known. LLMs can express task-specific selection logic. A direct recommendation, however, is neither a persistent executable object that can be validated and revised nor an independently auditable decision rule. We introduce CARE, a reference-conditioned controller that separates program synthesis from experiment selection. An LLM writes an executable scoring program that ranks the remaining conditions, while a non-LLM reference policy supplies a numerical candidate and support summary. CARE forms an optional alternative from the program, applies a reference-conditioned intervention gate to compare it with the reference, and records the decision before the selected outcome is revealed. Each new outcome updates controller state and can trigger retention, revision, or regeneration of the active program. This outcome-guided program evolution changes the scoring logic without updating the LLM parameters. In matched offline replay with 30 seeds on eight reaction-optimization tasks, CARE attains the lowest normalized regret, the highest normalized best-so-far AUC, and the highest Top-1% Success@15 among the evaluated methods. These results support using a scoring program written by an LLM as one component of a reference-conditioned optimizer rather than as a standalone experiment selector.

cs.LG↗

arXiv2026

SureRoute: Toward a Hallucination-Free Self-Improving Platform for Retrosynthesis

AI models, including large language models, are increasingly integrated into scientific discovery workflows, yet they remain prone to hallucination. In experimental sciences, such errors translate directly into failed wet-lab validations and wasted resources; in self-improving agentic systems, confident errors risk being reinforced rather than corrected. Retrosynthesis provides a representative example of this failure mode: existing models can generate chemically plausible routes, but cannot reliably determine which routes are experimentally feasible. We define \textbf{Chemical Hallucination} as a route that appears valid yet fails under competing reactive sites, unresolved selectivity, or missing mechanistic support, a failure largely invisible to the Recall@$K$ metric. We introduce \textbf{SureRoute}, a chemical verifier-anchored retrosynthesis platform that suppresses Chemical Hallucination. SureRoute combines a multi-model ensemble, data asset retrieval, and \textbf{ChemHarness}, an executable chemical intuition engine for route verification and reliability-first ranking. On a benchmark of 350 real-world industrial targets, SureRoute reaches 74.3\% recall@1, 2.2--3.5$\times$ that of seven single-step models and three frontier LLMs, while cutting top-1 Chemical Hallucination to 4.6\%, a 4--6$\times$ reduction relative to frontier LLMs. As a model-agnostic reranker, ChemHarness drives detectable hallucination toward near-zero across arbitrary backbone candidates. SureRoute shows that reliable scientific AI requires not only strong generation, but executable verification.

q-bio.QM↗