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Yunxiang Wei

Publications and source records attributed to Yunxiang Wei.

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Mechanist: AI as a Scientific Instrument for Discovering the Mechanisms of Intelligence

AI models are increasingly used in scientific discovery and human decision-making. Yet how AI models work and what risks they pose remain poorly understood. As AI development becomes faster and more automated, research on the mechanisms underlying AI remains largely manual. To bridge this gap, we introduce Mechanist, an agentic system that uses AI as a scientific instrument for the autonomous discovery of mechanisms underlying AI. To ground novel mechanism hypotheses, we construct a scientific knowledge graph of 13,000 studies on AI mechanisms, alongside a multidisciplinary database of 43 million papers spanning 26 fields. For reliable experiment execution, we curate a library of 32 foundational methods for mechanism analysis. Compared with Claude Code and existing AI-scientist systems, Mechanist generates higher-quality mechanism hypotheses and executes experiments more reliably. Across four case studies, Mechanist autonomously discovers new model behaviors and their underlying mechanisms, and translates these discoveries into mechanism-guided interventions and interdisciplinary design. Specifically, Mechanist first uncovers a counterintuitive safety risk in scientific laboratories, showing that unsafe traits can transfer to fine-tuned student models through apparently safe training data and emerge across modalities. Mechanist then develops a mechanism theory of belief, revealing how models represent world knowledge, form beliefs, infer the beliefs of others, and how these mechanisms emerge during pretraining. Building on this theory, Mechanist develops targeted interventions that improve model performance across diverse scenarios. Finally, Mechanist can also advance interdisciplinary discovery through mechanistic design, providing an alternative to the computationally intensive generate-and-rerank paradigm.

cs.AI

SciAtlas: A Computable Atlas of Science for Knowledge-Grounded AI Research

Artificial intelligence is rapidly entering the core workflows of scientific research. Yet reliable scientific reasoning requires access to accumulated scientific knowledge with sufficient breadth, depth, and standardization. Current AI scientists typically assemble scientific knowledge through workflow- and discipline-specific pipelines, which provide incomplete coverage, leave relations implicit, and make knowledge acquisition pathways fragmented. Here we present SciAtlas, a shared, machine-actionable cross-disciplinary scholarly knowledge infrastructure that integrates evidential, conceptual, disciplinary, expertise, and normative layers under a shared schema. SciAtlas further achieves a unified neuro-symbolic retrieval mechanism that grounds heterogeneous research objects, propagates relevance across the scholarly topology, and projects the resulting relevance field into the context required by each scientific workflow. Across three representative workflows, SciAtlas broadens trajectory reconstruction by recovering overlooked research branches, deepens opportunity discovery by uncovering underexplored bottlenecks and cross-domain insights, and strengthens innovation assessment by integrating evidence, expertise, and evaluation signals. Across three representative workflows, SciAtlas broadens trajectory reconstruction by recovering overlooked stages and branches, deepens opportunity discovery by uncovering underexplored bottlenecks and cross-domain connections, and standardizes innovation assessment by integrating evidence, expertise and evaluation signals. Extensive evaluations validate the foundational capabilities underpinning it as reusable knowledge infrastructure for knowledge-intensive scientific research.

cs.AI

InnoEval: On Research Idea Evaluation as a Knowledge-Grounded, Multi-Perspective Reasoning Problem

The rapid evolution of Large Language Models has catalyzed a surge in scientific idea production, yet this leap has not been accompanied by a matching advance in idea evaluation. The fundamental nature of scientific evaluation needs knowledgeable grounding, collective deliberation, and multi-criteria decision-making. However, existing idea evaluation methods often suffer from narrow knowledge horizons, flattened evaluation dimensions, and the inherent bias in LLM-as-a-Judge. To address these, we regard idea evaluation as a knowledge-grounded, multi-perspective reasoning problem and introduce InnoEval, a deep innovation evaluation framework designed to emulate human-level idea assessment. We apply a heterogeneous deep knowledge search engine that retrieves and grounds dynamic evidence from diverse online sources. We further achieve review consensus with an innovation review board containing reviewers with distinct academic backgrounds, enabling a multi-dimensional decoupled evaluation across multiple metrics. We construct comprehensive datasets derived from authoritative peer-reviewed submissions to benchmark InnoEval. Experiments demonstrate that InnoEval can consistently outperform baselines in point-wise, pair-wise, and group-wise evaluation tasks, exhibiting judgment patterns and consensus highly aligned with human experts.

cs.CL

Ensemble-Based Uncertainty Estimation for Code Correctness Estimation

Large language models (LLMs) have demonstrated remarkable capabilities in generating programs from natural language descriptions, yet ensuring their correctness without an external oracle remains a critical challenge. To solve the challenge, existing methods often rely on uncertainty estimation, measuring the consistency of semantics or execution behaviors across multiple samples generated by a single model. However, we observe that a single model can often converge to a consistent but incorrect solution, rendering such consistency-based proxies ineffective. To address this, we propose Ensemble Semantic Entropy (ESE), which estimates uncertainty by evaluating the consistency of samples aggregated across an ensemble of models. Experiments on LiveCodeBench demonstrate that ESE correlates more strongly with program correctness than single-model semantic entropy. Notably, in selective generation tasks with strict false-positive rate constraints, ESE improves prediction accuracy by 53.4%. Furthermore, by leveraging ESE as the decision signal, we propose a cascading test-time scaling framework Cas, which maintains performance while reducing FLOPs by 64.9% compared to single-model scaling, offering a new perspective on balancing parameter and inference scaling.

cs.SE

Investigating Training Data Detection in AI Coders

Recent advances in code large language models (CodeLLMs) have made them indispensable tools in modern software engineering. However, these models occasionally produce outputs that contain proprietary or sensitive code snippets, raising concerns about potential non-compliant use of training data, and posing risks to privacy and intellectual property. To ensure responsible and compliant deployment of CodeLLMs, training data detection (TDD) has become a critical task. While recent TDD methods have shown promise in natural language settings, their effectiveness on code data remains largely underexplored. This gap is particularly important given code's structured syntax and distinct similarity criteria compared to natural language. To address this, we conduct a comprehensive empirical study of seven state-of-the-art TDD methods on source code data, evaluating their performance across eight CodeLLMs. To support this evaluation, we introduce CodeSnitch, a function-level benchmark dataset comprising 9,000 code samples in three programming languages, each explicitly labeled as either included or excluded from CodeLLM training. Beyond evaluation on the original CodeSnitch, we design targeted mutation strategies to test the robustness of TDD methods under three distinct settings. These mutation strategies are grounded in the well-established Type-1 to Type-4 code clone detection taxonomy. Our study provides a systematic assessment of current TDD techniques for code and offers insights to guide the development of more effective and robust detection methods in the future.

cs.SE