arXiv subjects

Yiyou Sun

Publications and source records attributed to Yiyou Sun.

At least 19 recordsLinked to original sources

arXiv2026

The Piggyback Hypothesis of Generalization: Explaining and Mitigating Emergent Misalignment

The mechanisms behind LLMs' broad over-generalization beyond training examples remain unclear. Emergent misalignment (EM) offers a striking case study: finetuning on narrow tasks induces broad misalignment to semantically-unrelated test domains. In this work, we propose the Piggyback Hypothesis: the chat-template tokens can piggyback the finetuned behaviour onto out-of-domain queries. We validate this hypothesis by showing that subtle perturbations to the prefix (tokens preceding all user queries), or patching the prefix representations with those from the unfinetuned model, can restore alignment without changing the user query. Building on this finding, we propose Token-Regularized Finetuning (TReFT), which regularizes specific token representations during training to mitigate EM. Across different models and multiple EM-inducing datasets, TReFT reduces EM while preserving in-domain learning. On Llama-3.1-8B finetuned on the legal domain, TReFT achieves 33.5% more EM reduction than data interleaving with a retain set of aligned examples. We further show that TReFT extends to other narrow-finetuning settings, including abstention, tool use, and refusal (off-topic generalization is reduced by 54.3% on average), supporting the Piggyback Hypothesis. Broadly, our work highlights that LLMs may learn and generalize in unintended ways and suggests a path toward more constrained finetuning. It also calls for further study of how shared input features can piggyback model behavior across domains.

cs.CL↗

arXiv2026

Agents' Last Exam

Recent AI systems have achieved strong results on a wide range of benchmarks, yet these gains have not translated into economically meaningful deployment across many professional domains. We argue that this gap is largely an evaluation problem: widely used benchmarks lack sustained performance measurement on real and economically valuable workflows. This paper introduces Agents' Last Exam (ALE), a benchmark designed to evaluate AI agents on long horizon, economically valuable, real world tasks with verifiable outcomes. Developed in collaboration with 250+ industry experts, ALE covers non-physical industries defined with reference to O*NET / SOC 2018 (the U.S. federal occupational taxonomy). It is organized around a task taxonomy with 55 sub fields grouped into 13 industry clusters covering 1K+ tasks. Current results show that the hardest tier remains far from saturated: across mainstream harness and backbone configurations, the average full pass rate is below 1%. ALE is designed as a living benchmark: its task pool grows continuously as new workflows and industries are onboarded. More broadly, ALE is intended not merely as another leaderboard, but as an instrument for closing the gap between benchmark success and GDP relevant impact.

cs.AI↗

arXiv2026

The Long-Horizon Task Mirage? Diagnosing Where and Why Agentic Systems Break

Large language model (LLM) agents perform strongly on short- and mid-horizon tasks, but often break down on long-horizon tasks that require extended, interdependent action sequences. Despite rapid progress in agentic systems, these long-horizon failures remain poorly characterized, hindering principled diagnosis and comparison across domains. To address this gap, we introduce HORIZON, an initial cross-domain diagnostic benchmark for systematically constructing tasks and analyzing long-horizon failure behaviors in LLM-based agents. Using HORIZON, we evaluate state-of-the-art (SOTA) agents from multiple model families (GPT-5 variants and Claude models), collecting 3100+ trajectories across four representative agentic domains to study horizon-dependent degradation patterns. We further propose a trajectory-grounded LLM-as-a-Judge pipeline for scalable and reproducible failure attribution, and validate it with human annotation on trajectories, achieving strong agreement (inter-annotator \kappa=0.61; human-judge \kappa=0.84). Our findings offer an initial methodological step toward systematic, cross-domain analysis of long-horizon agent failures and offer practical guidance for building more reliable long-horizon agents. We release our project website at \href{https://xwang2775.github.io/horizon-leaderboard/}{HORIZON Leaderboard} and welcome contributions from the community.

cs.AI↗

arXiv2026

Strategy Executability in Mathematical Reasoning: Leveraging Human-Model Differences for Effective Guidance

Example-based guidance is widely used to improve mathematical reasoning at inference time, yet its effectiveness is highly unstable across problems and models-even when the guidance is correct and problem-relevant. We show that this instability arises from a previously underexplored gap between strategy usage-whether a reasoning strategy appears in successful solutions-and strategy executability-whether the strategy remains effective when instantiated as guidance for a target model. Through a controlled analysis of paired human-written and model-generated solutions, we identify a systematic dissociation between usage and executability: human- and model-derived strategies differ in structured, domain-dependent ways, leading to complementary strengths and consistent source-dependent reversals under guidance. Building on this diagnosis, we propose Selective Strategy Retrieval (SSR), a test-time framework that explicitly models executability by selectively retrieving and combining strategies using empirical, multi-route, source-aware signals. Across multiple mathematical reasoning benchmarks, SSR yields reliable and consistent improvements over direct solving, in-context learning, and single-source guidance, improving accuracy by up to $+13$ points on AIME25 and $+5$ points on Apex for compact reasoning models. Code and benchmark are publicly available at: https://github.com/lwd17/strategy-execute-pipeline.

cs.AI↗

arXiv2026

Unsafer in Many Turns: Benchmarking and Defending Multi-Turn Safety Risks in Tool-Using Agents

LLM-based agents are becoming increasingly capable, yet their safety lags behind. This creates a gap between what agents can do and should do. This gap widens as agents engage in multi-turn interactions and employ diverse tools, introducing new risks overlooked by existing benchmarks. To systematically scale safety testing into multi-turn, tool-realistic settings, we propose a principled taxonomy that transforms single-turn harmful tasks into multi-turn attack sequences. Using this taxonomy, we construct MT-AgentRisk (Multi-Turn Agent Risk Benchmark), the first benchmark to evaluate multi-turn tool-using agent safety. Our experiments reveal substantial safety degradation: the Attack Success Rate (ASR) increases by 16% on average across open and closed models in multi-turn settings. To close this gap, we propose ToolShield, a training-free, tool-agnostic, self-exploration defense: when encountering a new tool, the agent autonomously generates test cases, executes them to observe downstream effects, and distills safety experiences for deployment. Experiments show that ToolShield effectively reduces ASR by 30% on average in multi-turn interactions. Our code is available at https://github.com/CHATS-lab/ToolShield.

cs.CR↗

arXiv2025

How and Why LLMs Generalize: A Fine-Grained Analysis of LLM Reasoning from Cognitive Behaviors to Low-Level Patterns

Large Language Models (LLMs) display strikingly different generalization behaviors: supervised fine-tuning (SFT) often narrows capability, whereas reinforcement-learning (RL) tuning tends to preserve it. The reasons behind this divergence remain unclear, as prior studies have largely relied on coarse accuracy metrics. We address this gap by introducing a novel benchmark that decomposes reasoning into atomic core skills such as calculation, fact retrieval, simulation, enumeration, and diagnostic, providing a concrete framework for addressing the fundamental question of what constitutes reasoning in LLMs. By isolating and measuring these core skills, the benchmark offers a more granular view of how specific cognitive abilities emerge, transfer, and sometimes collapse during post-training. Combined with analyses of low-level statistical patterns such as distributional divergence and parameter statistics, it enables a fine-grained study of how generalization evolves under SFT and RL across mathematical, scientific reasoning, and non-reasoning tasks. Our meta-probing framework tracks model behavior at different training stages and reveals that RL-tuned models maintain more stable behavioral profiles and resist collapse in reasoning skills, whereas SFT models exhibit sharper drift and overfit to surface patterns. This work provides new insights into the nature of reasoning in LLMs and points toward principles for designing training strategies that foster broad, robust generalization.

cs.LG↗

arXiv2025

Can Aha Moments Be Fake? Towards Quantifying Decorative and True Thinking in Chain-of-Thought

Large language models can generate long chain-of-thought (CoT) reasoning, yet prior work suggests that CoT can be post-hoc rationalization rather than a faithful reflection of the computation through explicitly designed settings. In this work, we go further and propose a True Thinking Score (TTS) to quantify the causal contribution of each step in CoT to the model's final prediction in realistic reasoning problems. Across eleven models ranging from 1.5B to 1.1T parameters on common reasoning benchmarks, we find that CoTs often interleave true-thinking steps, which causally affect the final answer, with decorative-thinking steps, which appear useful but have little causal influence; Such decorative steps remain prevalent even for frontier models: Over 30% of steps in Kimi-K2.6 are decorative on MATH with TTS <= 0.005. Furthermore, TTS enables effective CoT pruning: removing 50% of CoT steps with the lowest TTS can largely maintain the performance. Self-training on these pruned CoTs reduces reasoning length by 66% while preserving performance on Nemotron3-Nano-30B. Finally, we provide a mechanistic analysis showing that LLMs can be steered in the latent space to engage or disengage with reasoning steps. Overall, our results reveal that frontier LLMs often verbalize reasoning steps that are not causally used, challenging both the efficiency and the trustworthiness of CoT.

cs.LG↗

arXiv2025

RL Grokking Recipe: How Does RL Unlock and Transfer New Algorithms in LLMs?

It remains an open question whether LLMs can acquire or generalize genuinely new reasoning strategies, beyond the sharpened skills encoded in their parameters during pre-training or post-training. To attempt to answer this debate, we introduce DELTA-Code -- Distributional Evaluation of Learnability and Transferrability in Algorithmic Coding -- a controlled benchmark of synthetic coding problem families designed to probe two fundamental aspects: learnability -- can LLMs, through reinforcement learning (RL), solve problem families where pretrained models exhibit failure with large enough attempts (pass@K=0)? -- and transferrability -- if learnability happens, can such skills transfer systematically to out-of-distribution (OOD) test sets? Unlike prior public coding datasets, DELTA isolates reasoning skills through templated problem generators and introduces fully OOD problem families that demand novel strategies rather than tool invocation or memorized patterns. Our experiments reveal a striking grokking phase transition: after an extended period with near-zero reward, RL-trained models abruptly climb to near-perfect accuracy. To enable learnability on previously unsolvable problem families, we explore key training ingredients such as staged warm-up with dense rewards, experience replay, curriculum training, and verification-in-the-loop. Beyond learnability, we use DELTA to evaluate transferability or generalization along exploratory, compositional, and transformative axes, as well as cross-family transfer. Results show solid gains within families and for recomposed skills, but persistent weaknesses in transformative cases. DELTA thus offers a clean testbed for probing the limits of RL-driven reasoning and for understanding how models can move beyond existing priors to acquire new algorithmic skills.

cs.LG↗

arXiv2025

MIRAGE-Bench: LLM Agent is Hallucinating and Where to Find Them

Hallucinations pose critical risks for large language model (LLM)-based agents, often manifesting as hallucinative actions resulting from fabricated or misinterpreted information within the cognitive context. While recent studies have exposed such failures, existing evaluations remain fragmented and lack a principled testbed. In this paper, we present MIRAGE-Bench--Measuring Illusions in Risky AGEnt settings--the first unified benchmark for eliciting and evaluating hallucinations in interactive LLM-agent scenarios. We begin by introducing a three-part taxonomy to address agentic hallucinations: actions that are unfaithful to (i) task instructions, (ii) execution history, or (iii) environment observations. To analyze, we first elicit such failures by performing a systematic audit of existing agent benchmarks, then synthesize test cases using a snapshot strategy that isolates decision points in deterministic and reproducible manners. To evaluate hallucination behaviors, we adopt a fine-grained-level LLM-as-a-Judge paradigm with tailored risk-aware prompts, enabling scalable, high-fidelity assessment of agent actions without enumerating full action spaces. MIRAGE-Bench provides actionable insights on failure modes of LLM agents and lays the groundwork for principled progress in mitigating hallucinations in interactive environments.

cs.AI↗

arXiv2025

OMEGA: Can LLMs Reason Outside the Box in Math? Evaluating Exploratory, Compositional, and Transformative Generalization

Recent large-scale language models (LLMs) with long Chain-of-Thought reasoning-such as DeepSeek-R1-have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking. To systematically investigate these limitations, we introduce OMEGA-Out-of-distribution Math Problems Evaluation with 3 Generalization Axes-a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity: (1) Exploratory-applying known problem solving skills to more complex instances within the same problem domain; (2) Compositional-combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative-adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwen-series models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.

cs.CL↗

arXiv2025

Where's the liability in the Generative Era? Recovery-based Black-Box Detection of AI-Generated Content

The recent proliferation of photorealistic images created by generative models has sparked both excitement and concern, as these images are increasingly indistinguishable from real ones to the human eye. While offering new creative and commercial possibilities, the potential for misuse, such as in misinformation and fraud, highlights the need for effective detection methods. Current detection approaches often rely on access to model weights or require extensive collections of real image datasets, limiting their scalability and practical application in real world scenarios. In this work, we introduce a novel black box detection framework that requires only API access, sidestepping the need for model weights or large auxiliary datasets. Our approach leverages a corrupt and recover strategy: by masking part of an image and assessing the model ability to reconstruct it, we measure the likelihood that the image was generated by the model itself. For black-box models that do not support masked image inputs, we incorporate a cost efficient surrogate model trained to align with the target model distribution, enhancing detection capability. Our framework demonstrates strong performance, outperforming baseline methods by 4.31% in mean average precision across eight diffusion model variant datasets.

cs.LG↗

arXiv2025

Why and How LLMs Hallucinate: Connecting the Dots with Subsequence Associations

Large language models (LLMs) frequently generate hallucinations-content that deviates from factual accuracy or provided context-posing challenges for diagnosis due to the complex interplay of underlying causes. This paper introduces a subsequence association framework to systematically trace and understand hallucinations. Our key insight is that hallucinations arise when dominant hallucinatory associations outweigh faithful ones. Through theoretical and empirical analyses, we demonstrate that decoder-only transformers effectively function as subsequence embedding models, with linear layers encoding input-output associations. We propose a tracing algorithm that identifies causal subsequences by analyzing hallucination probabilities across randomized input contexts. Experiments show our method outperforms standard attribution techniques in identifying hallucination causes and aligns with evidence from the model's training corpus. This work provides a unified perspective on hallucinations and a robust framework for their tracing and analysis.

cs.CL↗

arXiv2025

Climbing the Ladder of Reasoning: What LLMs Can-and Still Can't-Solve after SFT?

Recent supervised fine-tuning (SFT) approaches have significantly improved language models' performance on mathematical reasoning tasks, even when models are trained at a small scale. However, the specific capabilities enhanced through such fine-tuning remain poorly understood. In this paper, we conduct a detailed analysis of model performance on the AIME24 dataset to understand how reasoning capabilities evolve. We discover a ladder-like structure in problem difficulty, categorize questions into four tiers (Easy, Medium, Hard, and Extremely Hard (Exh)), and identify the specific requirements for advancing between tiers. We find that progression from Easy to Medium tier requires adopting an R1 reasoning style with minimal SFT (500-1K instances), while Hard-level questions suffer from frequent model's errors at each step of the reasoning chain, with accuracy plateauing at around 65% despite logarithmic scaling. Exh-level questions present a fundamentally different challenge; they require unconventional problem-solving skills that current models uniformly struggle with. Additional findings reveal that carefully curated small-scale datasets offer limited advantage-scaling dataset size proves far more effective. Our analysis provides a clearer roadmap for advancing language model capabilities in mathematical reasoning.

cs.AI↗

arXiv2025

Can LLMs Ask Good Questions?

We evaluate questions generated by large language models (LLMs) from context, comparing them to human-authored questions across six dimensions: question type, question length, context coverage, answerability, uncommonness, and required answer length. Our study spans two open-source and two proprietary state-of-the-art models. Results reveal that LLM-generated questions tend to demand longer descriptive answers and exhibit more evenly distributed context focus, in contrast to the positional bias often seen in QA tasks. These findings provide insights into the distinctive characteristics of LLM-generated questions and inform future work on question quality and downstream applications.

cs.CL↗

arXiv2024

SAUP: Situation Awareness Uncertainty Propagation on LLM Agent

Large language models (LLMs) integrated into multistep agent systems enable complex decision-making processes across various applications. However, their outputs often lack reliability, making uncertainty estimation crucial. Existing uncertainty estimation methods primarily focus on final-step outputs, which fail to account for cumulative uncertainty over the multistep decision-making process and the dynamic interactions between agents and their environments. To address these limitations, we propose SAUP (Situation Awareness Uncertainty Propagation), a novel framework that propagates uncertainty through each step of an LLM-based agent's reasoning process. SAUP incorporates situational awareness by assigning situational weights to each step's uncertainty during the propagation. Our method, compatible with various one-step uncertainty estimation techniques, provides a comprehensive and accurate uncertainty measure. Extensive experiments on benchmark datasets demonstrate that SAUP significantly outperforms existing state-of-the-art methods, achieving up to 20% improvement in AUROC.

cs.CL↗

arXiv2024

Scattered Forest Search: Smarter Code Space Exploration with LLMs

We frame code generation as a black-box optimization problem within the code space and demonstrate how optimization-inspired techniques can enhance inference scaling. Based on this perspective, we propose SCATTERED FOREST SEARCH (SFS), a novel approach that improves solution diversity and better exploits feedback during evolutionary search. Our theoretical analysis illustrates how these methods help avoid local optima during optimization, leading to more efficient exploration. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance gains. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our approach scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

cs.SE↗

arXiv2024

Robust Semi-supervised Multimodal Medical Image Segmentation via Cross Modality Collaboration

Multimodal learning leverages complementary information derived from different modalities, thereby enhancing performance in medical image segmentation. However, prevailing multimodal learning methods heavily rely on extensive well-annotated data from various modalities to achieve accurate segmentation performance. This dependence often poses a challenge in clinical settings due to limited availability of such data. Moreover, the inherent anatomical misalignment between different imaging modalities further complicates the endeavor to enhance segmentation performance. To address this problem, we propose a novel semi-supervised multimodal segmentation framework that is robust to scarce labeled data and misaligned modalities. Our framework employs a novel cross modality collaboration strategy to distill modality-independent knowledge, which is inherently associated with each modality, and integrates this information into a unified fusion layer for feature amalgamation. With a channel-wise semantic consistency loss, our framework ensures alignment of modality-independent information from a feature-wise perspective across modalities, thereby fortifying it against misalignments in multimodal scenarios. Furthermore, our framework effectively integrates contrastive consistent learning to regulate anatomical structures, facilitating anatomical-wise prediction alignment on unlabeled data in semi-supervised segmentation tasks. Our method achieves competitive performance compared to other multimodal methods across three tasks: cardiac, abdominal multi-organ, and thyroid-associated orbitopathy segmentations. It also demonstrates outstanding robustness in scenarios involving scarce labeled data and misaligned modalities.

cs.CV↗

arXiv2024

DALD: Improving Logits-based Detector without Logits from Black-box LLMs

The advent of Large Language Models (LLMs) has revolutionized text generation, producing outputs that closely mimic human writing. This blurring of lines between machine- and human-written text presents new challenges in distinguishing one from the other a task further complicated by the frequent updates and closed nature of leading proprietary LLMs. Traditional logits-based detection methods leverage surrogate models for identifying LLM-generated content when the exact logits are unavailable from black-box LLMs. However, these methods grapple with the misalignment between the distributions of the surrogate and the often undisclosed target models, leading to performance degradation, particularly with the introduction of new, closed-source models. Furthermore, while current methodologies are generally effective when the source model is identified, they falter in scenarios where the model version remains unknown, or the test set comprises outputs from various source models. To address these limitations, we present Distribution-Aligned LLMs Detection (DALD), an innovative framework that redefines the state-of-the-art performance in black-box text detection even without logits from source LLMs. DALD is designed to align the surrogate model's distribution with that of unknown target LLMs, ensuring enhanced detection capability and resilience against rapid model iterations with minimal training investment. By leveraging corpus samples from publicly accessible outputs of advanced models such as ChatGPT, GPT-4 and Claude-3, DALD fine-tunes surrogate models to synchronize with unknown source model distributions effectively.

cs.CL↗