Yutaka Matsuo
Publications
Omanic: Towards Step-wise Evaluation of Multi-hop Reasoning in Large Language Models
Reasoning-focused large language models (LLMs) have advanced in many NLP tasks, yet their evaluation remains challenging: final answers alone do not expose the intermediate reasoning steps, making it difficult to determine whether a model truly reasons correctly and where failures occur, while existing multi-hop QA benchmarks lack step-level annotations for diagnosing reasoning failures. To address this gap, we propose Omanic, an open-domain multi-hop QA resource that provides decomposed sub-questions and intermediate answers as structural annotations for analyzing reasoning processes. It contains 10,296 machine-generated training examples (OmanicSynth) and 967 expert-reviewed human-annotated evaluation examples (OmanicBench). Systematic evaluations show that state-of-the-art LLMs achieve only 73.11% multiple-choice accuracy on OmanicBench, confirming its high difficulty. Stepwise analysis reveals that CoT's performance hinges on factual completeness, with its gains diminishing under knowledge gaps and errors amplifying in later hops. Additionally, supervised fine-tuning on OmanicSynth brings substantial transfer gains (7.41 average points) across six reasoning and math benchmarks, validating the dataset's quality and further supporting the effectiveness of OmanicSynth as supervision for reasoning-capability transfer. We release the data at https://huggingface.co/datasets/li-lab/Omanic and the code at https://github.com/XiaojieGu/Omanic.
Residual Koopman Spectral Profiling for Predicting and Preventing Transformer Training Instability
Training divergence in transformers wastes compute, yet practitioners discover instability only after expensive runs begin. They therefore need an expected probability of failure for a transformer before training starts. Our study of Residual Koopman Spectral Profiling (RKSP) provides such an estimate. From a single forward pass at initialization, RKSP extracts Koopman spectral features by applying whitened dynamic mode decomposition to layer-wise residual snapshots. Our central diagnostic, the near-unit spectral mass, quantifies the fraction of modes concentrated near the unit circle, which captures instability risk. For predicting divergence across extensive configurations, this estimator achieves an AUROC of 0.995, outperforming the best gradient baseline. We further make this diagnostic actionable through Koopman Spectral Shaping (KSS), which reshapes spectra during training. We empirically validate that our method works in practice: RKSP predicts divergence at initialization, and when RKSP flags high risk, turning on KSS successfully prevents divergence. In the challenging high learning rate regime without normalization layers, KSS reduces the divergence rate from 66.7% to 12.5% and enables learning rates that are 50% to 150% higher. These findings generalize to WikiText-103 language modeling, vision transformers on CIFAR-10, and pretrained language models, including GPT-2 and LLaMA-2 up to 7B, as well as emerging architectures such as MoE, Mamba-style SSMs, and KAN.
ClinDet-Bench: Beyond Abstention, Evaluating Judgment Determinability of LLMs in Clinical Decision-Making
Clinical decisions are often required under incomplete information. Clinical experts must identify whether available information is sufficient for judgment, as both premature conclusion and unnecessary abstention can compromise patient safety. To evaluate this capability of large language models (LLMs), we developed ClinDet-Bench, a benchmark based on clinical scoring systems that decomposes incomplete-information scenarios into determinable and undeterminable conditions. Identifying determinability requires considering all hypotheses about missing information, including unlikely ones, and verifying whether the conclusion holds across them. We find that recent LLMs fail to identify determinability under incomplete information, producing both premature judgments and excessive abstention, despite correctly explaining the underlying scoring knowledge and performing well under complete information. These findings suggest that existing benchmarks are insufficient to evaluate the safety of LLMs in clinical settings. ClinDet-Bench provides a framework for evaluating determinability recognition, leading to appropriate abstention, with potential applicability to medicine and other high-stakes domains, and is publicly available.
Emergent Analogical Reasoning in Transformers
Analogy is a central faculty of human intelligence, enabling abstract patterns discovered in one domain to be applied to another. Despite its central role in cognition, the mechanisms by which Transformers acquire and implement analogical reasoning remain poorly understood. In this work, inspired by the notion of functors in category theory, we formalize analogical reasoning as the inference of correspondences between entities across categories. Based on this formulation, we introduce synthetic tasks that evaluate the emergence of analogical reasoning under controlled settings. We find that the emergence of analogical reasoning is highly sensitive to data characteristics, optimization choices, and model scale. Through mechanistic analysis, we show that analogical reasoning in Transformers decomposes into two key components: (1) geometric alignment of relational structure in the embedding space, and (2) the application of a functor within the Transformer. These mechanisms enable models to transfer relational structure from one category to another, realizing analogy. Finally, we quantify these effects and find that the same trends are observed in pretrained LLMs. In doing so, we move analogy from an abstract cognitive notion to a concrete, mechanistically grounded phenomenon in modern neural networks.
Emergent Analogical Reasoning in Transformers
Analogy is a central faculty of human intelligence, enabling abstract patterns discovered in one domain to be applied to another. Despite its central role in cognition, the mechanisms by which Transformers acquire and implement analogical reasoning remain poorly understood. In this work, inspired by the notion of functors in category theory, we formalize analogical reasoning as the inference of correspondences between entities across categories. Based on this formulation, we introduce synthetic tasks that evaluate the emergence of analogical reasoning under controlled settings. We find that the emergence of analogical reasoning is highly sensitive to data characteristics, optimization choices, and model scale. Through mechanistic analysis, we show that analogical reasoning in Transformers decomposes into two key components: (1) geometric alignment of relational structure in the embedding space, and (2) the application of a functor within the Transformer. These mechanisms enable models to transfer relational structure from one category to another, realizing analogy. Finally, we quantify these effects and find that the same trends are observed in pretrained LLMs. In doing so, we move analogy from an abstract cognitive notion to a concrete, mechanistically grounded phenomenon in modern neural networks.
From Chains to Graphs: Self-Structured Reasoning for General-Domain LLMs
Large Language Models (LLMs) show strong reasoning ability in open-domain question answering, yet their reasoning processes are typically linear and often logically inconsistent. In contrast, real-world reasoning requires integrating multiple premises and solving subproblems in parallel. Existing methods, such as Chain-of-Thought (CoT), express reasoning in a linear textual form, which may appear coherent but frequently leads to inconsistent conclusions. Recent approaches rely on externally provided graphs and do not explore how LLMs can construct and use their own graph-structured reasoning, particularly in open-domain QA. To fill this gap, we novelly explore graph-structured reasoning of LLMs in general-domain question answering. We propose Self-Graph Reasoning (SGR), a framework that enables LLMs to explicitly represent their reasoning process as a structured graph before producing the final answer. We further construct a graph-structured reasoning dataset that merges multiple candidate reasoning graphs into refined graph structures for model training. Experiments on five QA benchmarks across both general and specialized domains show that SGR consistently improves reasoning consistency and yields a 17.74% gain over the base model. The LLaMA-3.3-70B model fine-tuned with SGR performs comparably to GPT-4o and surpasses Claude-3.5-Haiku, demonstrating the effectiveness of graph-structured reasoning.
JMedEthicBench: A Multi-Turn Conversational Benchmark for Evaluating Medical Safety in Japanese Large Language Models
As Large Language Models (LLMs) are increasingly deployed in healthcare field, it becomes essential to carefully evaluate their medical safety before clinical use. However, existing safety benchmarks remain predominantly English-centric, and test with only single-turn prompts despite multi-turn clinical consultations. To address these gaps, we introduce JMedEthicBench, the first multi-turn conversational benchmark for evaluating medical safety of LLMs for Japanese healthcare. Our benchmark is based on 67 guidelines from the Japan Medical Association and contains over 50,000 adversarial conversations generated using seven automatically discovered jailbreak strategies. Using a dual-LLM scoring protocol, we evaluate 27 models and find that commercial models maintain robust safety while medical-specialized models exhibit increased vulnerability. Furthermore, safety scores decline significantly across conversation turns (median: 9.5 to 5.0, $p < 0.001$). Cross-lingual evaluation on both Japanese and English versions of our benchmark reveals that medical model vulnerabilities persist across languages, indicating inherent alignment limitations rather than language-specific factors. These findings suggest that domain-specific fine-tuning may accidentally weaken safety mechanisms and that multi-turn interactions represent a distinct threat surface requiring dedicated alignment strategies.