Daily Papers

This paper describes MAIA, a Multimodal Automated Interpretability Agent. MAIA is a system that uses neural models to automate neural model understanding tasks like feature interpretation and failure mode discovery. It equips a pre-trained vision-language model with a set of tools that support iterative experimentation on subcomponents of other models to explain their behavior. These include tools commonly used by human interpretability researchers: for synthesizing and editing inputs, computing maximally activating exemplars from real-world datasets, and summarizing and describing experimental results. Interpretability experiments proposed by MAIA compose these tools to describe and explain system behavior. We evaluate applications of MAIA to computer vision models. We first characterize MAIA's ability to describe (neuron-level) features in learned representations of images. Across several trained models and a novel dataset of synthetic vision neurons with paired ground-truth descriptions, MAIA produces descriptions comparable to those generated by expert human experimenters. We then show that MAIA can aid in two additional interpretability tasks: reducing sensitivity to spurious features, and automatically identifying inputs likely to be mis-classified.

As modern microservice systems grow increasingly popular and complex-often consisting of hundreds or even thousands of fine-grained, interdependent components-they are becoming more susceptible to frequent and subtle failures. Ensuring system reliability therefore hinges on accurate and efficient failure localization. Traditional failure localization approaches based on small models lack the flexibility to adapt to diverse failure scenarios, while recent LLM-based methods suffer from two major limitations: they often rely on rigid invocation workflows that constrain the model's ability to dynamically explore optimal localization paths, and they require resource-intensive inference, making them cost-prohibitive for real-world deployment. To address these challenges, we explore the use of reinforcement fine-tuning to equip lightweight LLMs with reasoning and self-refinement capabilities, significantly improving the cost-effectiveness and adaptability of LLM-based failure localization. We begin with an empirical study to identify three key capabilities essential for accurate localization. Building on these insights, we propose a progressive multi-stage GRPO fine-tuning framework, which integrates a multi-factor failure localization grader and a recursion-of-thought actor module. The resulting model, ThinkFL, not only outperforms existing state-of-the-art LLMs and baseline methods in localization accuracy but also reduces end-to-end localization latency from minutes to seconds, demonstrating strong potential for real-world applications.

Large Language Model (LLM) safety guardrail models have emerged as a primary defense mechanism against harmful content generation, yet their robustness against sophisticated adversarial attacks remains poorly characterized. This study evaluated ten publicly available guardrail models from Meta, Google, IBM, NVIDIA, Alibaba, and Allen AI across 1,445 test prompts spanning 21 attack categories. While Qwen3Guard-8B achieved the highest overall accuracy (85.3%, 95% CI: 83.4-87.1%), a critical finding emerged when separating public benchmark prompts from novel attacks: all models showed substantial performance degradation on unseen prompts, with Qwen3Guard dropping from 91.0% to 33.8% (a 57.2 percentage point gap). In contrast, Granite-Guardian-3.2-5B showed the best generalization with only a 6.5% gap. A "helpful mode" jailbreak was also discovered where two guardrail models (Nemotron-Safety-8B, Granite-Guardian-3.2-5B) generated harmful content instead of blocking it, representing a novel failure mode. These findings suggest that benchmark performance may be misleading due to training data contamination, and that generalization ability, not overall accuracy, should be the primary metric for guardrail evaluation.

In this work, we study the challenge of providing human-understandable descriptions for failure modes in trained image classification models. Existing works address this problem by first identifying clusters (or directions) of incorrectly classified samples in a latent space and then aiming to provide human-understandable text descriptions for them. We observe that in some cases, describing text does not match well with identified failure modes, partially owing to the fact that shared interpretable attributes of failure modes may not be captured using clustering in the feature space. To improve on these shortcomings, we propose a novel approach that prioritizes interpretability in this problem: we start by obtaining human-understandable concepts (tags) of images in the dataset and then analyze the model's behavior based on the presence or absence of combinations of these tags. Our method also ensures that the tags describing a failure mode form a minimal set, avoiding redundant and noisy descriptions. Through several experiments on different datasets, we show that our method successfully identifies failure modes and generates high-quality text descriptions associated with them. These results highlight the importance of prioritizing interpretability in understanding model failures.

Failure mode and effects analysis (FMEA) is a critical tool for mitigating potential failures, particular during ramp-up phases of new products. However, its effectiveness is often limited by the missing reasoning capabilities of the FMEA tools, which are usually tabular structured. Meanwhile, large language models (LLMs) offer novel prospects for fine-tuning on custom datasets for reasoning within FMEA contexts. However, LLMs face challenges in tasks that require factual knowledge, a gap that retrieval-augmented generation (RAG) approaches aim to fill. RAG retrieves information from a non-parametric data store and uses a language model to generate responses. Building on this idea, we propose to advance the non-parametric data store with a knowledge graph (KG). By enhancing the RAG framework with a KG, our objective is to leverage analytical and semantic question-answering capabilities on FMEA data. This paper contributes by presenting a new ontology for FMEA observations, an algorithm for creating vector embeddings from the FMEA KG, and a KG enhanced RAG framework. Our approach is validated through a human study and we measure the performance of the context retrieval recall and precision.

Deployed multimodal systems can fail in ways that evaluators did not anticipate. In order to find these failures before deployment, we introduce MultiMon, a system that automatically identifies systematic failures -- generalizable, natural-language descriptions of patterns of model failures. To uncover systematic failures, MultiMon scrapes a corpus for examples of erroneous agreement: inputs that produce the same output, but should not. It then prompts a language model (e.g., GPT-4) to find systematic patterns of failure and describe them in natural language. We use MultiMon to find 14 systematic failures (e.g., "ignores quantifiers") of the CLIP text-encoder, each comprising hundreds of distinct inputs (e.g., "a shelf with a few/many books"). Because CLIP is the backbone for most state-of-the-art multimodal systems, these inputs produce failures in Midjourney 5.1, DALL-E, VideoFusion, and others. MultiMon can also steer towards failures relevant to specific use cases, such as self-driving cars. We see MultiMon as a step towards evaluation that autonomously explores the long tail of potential system failures. Code for MULTIMON is available at https://github.com/tsb0601/MultiMon.

AI scientist systems, capable of autonomously executing the full research workflow from hypothesis generation and experimentation to paper writing, hold significant potential for accelerating scientific discovery. However, the internal workflow of these systems have not been closely examined. This lack of scrutiny poses a risk of introducing flaws that could undermine the integrity, reliability, and trustworthiness of their research outputs. In this paper, we identify four potential failure modes in contemporary AI scientist systems: inappropriate benchmark selection, data leakage, metric misuse, and post-hoc selection bias. To examine these risks, we design controlled experiments that isolate each failure mode while addressing challenges unique to evaluating AI scientist systems. Our assessment of two prominent open-source AI scientist systems reveals the presence of several failures, across a spectrum of severity, which can be easily overlooked in practice. Finally, we demonstrate that access to trace logs and code from the full automated workflow enables far more effective detection of such failures than examining the final paper alone. We thus recommend journals and conferences evaluating AI-generated research to mandate submission of these artifacts alongside the paper to ensure transparency, accountability, and reproducibility.

We report a case study of four end-to-end attempts to autonomously generate ML research papers using a pipeline of six LLM agents mapped to stages of the scientific workflow. Of these four, three attempts failed during implementation or evaluation. One completed the pipeline and was accepted to Agents4Science 2025, an experimental inaugural venue that required AI systems as first authors, passing both human and multi-AI review. From these attempts, we document six recurring failure modes: bias toward training data defaults, implementation drift under execution pressure, memory and context degradation across long-horizon tasks, overexcitement that declares success despite obvious failures, insufficient domain intelligence, and weak scientific taste in experimental design. We conclude by discussing four design principles for more robust AI-scientist systems, implications for autonomous scientific discovery, and we release all prompts, artifacts, and outputs at https://github.com/Lossfunk/ai-scientist-artefacts-v1

Despite growing enthusiasm for Multi-Agent Systems (MAS), where multiple LLM agents collaborate to accomplish tasks, their performance gains across popular benchmarks remain minimal compared to single-agent frameworks. This gap highlights the need to analyze the challenges hindering MAS effectiveness. In this paper, we present the first comprehensive study of MAS challenges. We analyze five popular MAS frameworks across over 150 tasks, involving six expert human annotators. We identify 14 unique failure modes and propose a comprehensive taxonomy applicable to various MAS frameworks. This taxonomy emerges iteratively from agreements among three expert annotators per study, achieving a Cohen's Kappa score of 0.88. These fine-grained failure modes are organized into 3 categories, (i) specification and system design failures, (ii) inter-agent misalignment, and (iii) task verification and termination. To support scalable evaluation, we integrate MASFT with LLM-as-a-Judge. We also explore if identified failures could be easily prevented by proposing two interventions: improved specification of agent roles and enhanced orchestration strategies. Our findings reveal that identified failures require more complex solutions, highlighting a clear roadmap for future research. We open-source our dataset and LLM annotator.

Kubernetes is a free, open-source container orchestration system for deploying and managing Docker containers that host microservices. Kubernetes cluster logs help in determining the reason for the failure. However, as systems become more complex, identifying failure reasons manually becomes more difficult and time-consuming. This study aims to identify effective and efficient classification algorithms to automatically determine the failure reason. We compare five classification algorithms, Support Vector Machines, K-Nearest Neighbors, Random Forest, Gradient Boosting Classifier, and Multilayer Perceptron. Our results indicate that Random Forest produces good accuracy while requiring fewer computational resources than other algorithms.

Ensuring the safety of large language models (LLMs) is critical for responsible deployment, yet existing evaluations often prioritize performance over identifying failure modes. We introduce Phare, a multilingual diagnostic framework to probe and evaluate LLM behavior across three critical dimensions: hallucination and reliability, social biases, and harmful content generation. Our evaluation of 17 state-of-the-art LLMs reveals patterns of systematic vulnerabilities across all safety dimensions, including sycophancy, prompt sensitivity, and stereotype reproduction. By highlighting these specific failure modes rather than simply ranking models, Phare provides researchers and practitioners with actionable insights to build more robust, aligned, and trustworthy language systems.

The continuous delivery of modern software requires the execution of many automated pipeline jobs. These jobs ensure the frequent release of new software versions while detecting code problems at an early stage. For TELUS, our industrial partner in the telecommunications field, reliable job execution is crucial to minimize wasted time and streamline Continuous Deployment (CD). In this context, flaky job failures are one of the main issues hindering CD. Prior studies proposed techniques based on machine learning to automate the detection of flaky jobs. While valuable, these solutions are insufficient to address the waste associated with the diagnosis of flaky failures, which remain largely unexplored due to the wide range of underlying causes. This study examines 4,511 flaky job failures at TELUS to identify the different categories of flaky failures that we prioritize based on Recency, Frequency, and Monetary (RFM) measures. We identified 46 flaky failure categories that we analyzed using clustering and RFM measures to determine 14 priority categories for future automated diagnosis and repair research. Our findings also provide valuable insights into the evolution and impact of these categories. The identification and prioritization of flaky failure categories using RFM analysis introduce a novel approach that can be used in other contexts.

Agentic systems consisting of multiple LLM-driven agents coordinating through tools and structured interactions, are increasingly deployed for complex reasoning and problem-solving tasks. At the same time, emerging low-code and template-based agent development platforms (e.g., Dify) enable users to rapidly build and orchestrate agentic systems, which we refer to as platform-orchestrated agentic systems. However, these systems are also fragile and it remains unclear how to systematically identify their potential failure root cause. This paper presents a study of root cause identification of these platform-orchestrated agentic systems. To support this initiative, we construct a dataset AgentFail containing 307 failure logs from ten agentic systems, each with fine-grained annotations linking failures to their root causes. We additionally utilize counterfactual reasoning-based repair strategy to ensure the reliability of the annotation. Building on the dataset, we develop a taxonomy that characterizes failure root causes and analyze their distribution across different platforms and task domains. Furthermore, we introduce a benchmark that leverages LLMs for automatically identifying root causes, in which we also utilize the proposed taxonomy as guidance for LLMs. Results show that the taxonomy can largely improve the performance, thereby confirming its utility. Nevertheless, the accuracy of root cause identification reaches at most 33.6%, which indicates that this task still remains challenging. In light of these results, we also provide actionable guidelines for building such agentic systems. In summary, this paper provides a reliable dataset of failure root cause for platform-orchestrated agentic systems, corresponding taxonomy and benchmark, which serves as a foundation for advancing the development of more reliable agentic systems.

Effective root cause analysis (RCA) is vital for swiftly restoring services, minimizing losses, and ensuring the smooth operation and management of complex systems. Previous data-driven RCA methods, particularly those employing causal discovery techniques, have primarily focused on constructing dependency or causal graphs for backtracking the root causes. However, these methods often fall short as they rely solely on data from a single modality, thereby resulting in suboptimal solutions. In this work, we propose Mulan, a unified multi-modal causal structure learning method for root cause localization. We leverage a log-tailored language model to facilitate log representation learning, converting log sequences into time-series data. To explore intricate relationships across different modalities, we propose a contrastive learning-based approach to extract modality-invariant and modality-specific representations within a shared latent space. Additionally, we introduce a novel key performance indicator-aware attention mechanism for assessing modality reliability and co-learning a final causal graph. Finally, we employ random walk with restart to simulate system fault propagation and identify potential root causes. Extensive experiments on three real-world datasets validate the effectiveness of our proposed framework.

Large language models (LLMs) possess impressive linguistic capabilities but often fail to faithfully retain factual knowledge, leading to hallucinations and unreliable outputs. Understanding LLMs' knowledge deficiencies by exhaustively evaluating against full-scale knowledge bases is computationally prohibitive, especially for closed-weight models. We propose stochastic error ascent (SEA), a scalable and efficient framework for discovering knowledge deficiencies (errors) in closed-weight LLMs under a strict query budget. Rather than naively probing all knowledge candidates, SEA formulates error discovery as a stochastic optimization process: it iteratively retrieves new high-error candidates by leveraging the semantic similarity to previously observed failures. To further enhance search efficiency and coverage, SEA employs hierarchical retrieval across document and paragraph levels, and constructs a relation directed acyclic graph to model error propagation and identify systematic failure modes. Empirically, SEA uncovers 40.7x more knowledge errors than Automated Capability Discovery and 26.7% more than AutoBencher, while reducing the cost-per-error by 599x and 9x, respectively. Human evaluation confirms the high quality of generated questions, while ablation and convergence analyses validate the contribution of each component in SEA. Further analysis on the discovered errors reveals correlated failure patterns across LLM families and recurring deficits, highlighting the need for better data coverage and targeted fine-tuning in future LLM development.

Conventional evaluation methods for multimodal LLMs (MLLMs) lack interpretability and are often insufficient to fully disclose significant capability gaps across models. To address this, we introduce AuditDM, an automated framework that actively discovers and rectifies MLLM failure modes by auditing their divergence. AuditDM fine-tunes an MLLM as an auditor via reinforcement learning to generate challenging questions and counterfactual images that maximize disagreement among target models. Once trained, the auditor uncovers diverse, interpretable exemplars that reveal model weaknesses and serve as annotation-free data for rectification. When applied to SoTA models like Gemma-3 and PaliGemma-2, AuditDM discovers more than 20 distinct failure types. Fine-tuning on these discoveries consistently improves all models across 16 benchmarks, and enables a 3B model to surpass its 28B counterpart. Our results suggest that as data scaling hits diminishing returns, targeted model auditing offers an effective path to model diagnosis and improvement.

We introduce FailureSensorIQ, a novel Multi-Choice Question-Answering (MCQA) benchmarking system designed to assess the ability of Large Language Models (LLMs) to reason and understand complex, domain-specific scenarios in Industry 4.0. Unlike traditional QA benchmarks, our system focuses on multiple aspects of reasoning through failure modes, sensor data, and the relationships between them across various industrial assets. Through this work, we envision a paradigm shift where modeling decisions are not only data-driven using statistical tools like correlation analysis and significance tests, but also domain-driven by specialized LLMs which can reason about the key contributors and useful patterns that can be captured with feature engineering. We evaluate the Industrial knowledge of over a dozen LLMs-including GPT-4, Llama, and Mistral-on FailureSensorIQ from different lens using Perturbation-Uncertainty-Complexity analysis, Expert Evaluation study, Asset-Specific Knowledge Gap analysis, ReAct agent using external knowledge-bases. Even though closed-source models with strong reasoning capabilities approach expert-level performance, the comprehensive benchmark reveals a significant drop in performance that is fragile to perturbations, distractions, and inherent knowledge gaps in the models. We also provide a real-world case study of how LLMs can drive the modeling decisions on 3 different failure prediction datasets related to various assets. We release: (a) expert-curated MCQA for various industrial assets, (b) FailureSensorIQ benchmark and Hugging Face leaderboard based on MCQA built from non-textual data found in ISO documents, and (c) LLMFeatureSelector, an LLM-based feature selection scikit-learn pipeline. The software is available at https://github.com/IBM/FailureSensorIQ.

Autonomous agent systems powered by Large Language Models (LLMs) have demonstrated promising capabilities in automating complex tasks. However, current evaluations largely rely on success rates without systematically analyzing the interactions, communication mechanisms, and failure causes within these systems. To bridge this gap, we present a benchmark of 34 representative programmable tasks designed to rigorously assess autonomous agents. Using this benchmark, we evaluate three popular open-source agent frameworks combined with two LLM backbones, observing a task completion rate of approximately 50%. Through in-depth failure analysis, we develop a three-tier taxonomy of failure causes aligned with task phases, highlighting planning errors, task execution issues, and incorrect response generation. Based on these insights, we propose actionable improvements to enhance agent planning and self-diagnosis capabilities. Our failure taxonomy, together with mitigation advice, provides an empirical foundation for developing more robust and effective autonomous agent systems in the future.

Open data repositories hold potential for evidence-based decision-making, yet are inaccessible to non-experts lacking expertise in dataset discovery, schema mapping, and statistical analysis. Large language models show promise for individual tasks, but end-to-end analytical workflows expose fundamental limitations: attention dilutes across growing contexts, specialized reasoning patterns interfere, and errors propagate undetected. We present PublicAgent, a multi-agent framework that addresses these limitations through decomposition into specialized agents for intent clarification, dataset discovery, analysis, and reporting. This architecture maintains focused attention within agent contexts and enables validation at each stage. Evaluation across five models and 50 queries derives five design principles for multi-agent LLM systems. First, specialization provides value independent of model strength--even the strongest model shows 97.5% agent win rates, with benefits orthogonal to model scale. Second, agents divide into universal (discovery, analysis) and conditional (report, intent) categories. Universal agents show consistent effectiveness (std dev 12.4%) while conditional agents vary by model (std dev 20.5%). Third, agents mitigate distinct failure modes--removing discovery or analysis causes catastrophic failures (243-280 instances), while removing report or intent causes quality degradation. Fourth, architectural benefits persist across task complexity with stable win rates (86-92% analysis, 84-94% discovery), indicating workflow management value rather than reasoning enhancement. Fifth, wide variance in agent effectiveness across models (42-96% for analysis) requires model-aware architecture design. These principles guide when and why specialization is necessary for complex analytical workflows while enabling broader access to public data through natural language interfaces.

Imitation learning (IL) with generative models, such as diffusion and flow matching, has enabled robots to perform complex, long-horizon tasks. However, distribution shifts from unseen environments or compounding action errors can still cause unpredictable and unsafe behavior, leading to task failure. Early failure prediction during runtime is therefore essential for deploying robots in human-centered and safety-critical environments. We propose FIPER, a general framework for Failure Prediction at Runtime for generative IL policies that does not require failure data. FIPER identifies two key indicators of impending failure: (i) out-of-distribution (OOD) observations detected via random network distillation in the policy's embedding space, and (ii) high uncertainty in generated actions measured by a novel action-chunk entropy score. Both failure prediction scores are calibrated using a small set of successful rollouts via conformal prediction. A failure alarm is triggered when both indicators, aggregated over short time windows, exceed their thresholds. We evaluate FIPER across five simulation and real-world environments involving diverse failure modes. Our results demonstrate that FIPER better distinguishes actual failures from benign OOD situations and predicts failures more accurately and earlier than existing methods. We thus consider this work an important step towards more interpretable and safer generative robot policies. Code, data and videos are available at https://tum-lsy.github.io/fiper_website.

Vision models often fail systematically on groups of data that share common semantic characteristics (e.g., rare objects or unusual scenes), but identifying these failure modes is a challenge. We introduce AdaVision, an interactive process for testing vision models which helps users identify and fix coherent failure modes. Given a natural language description of a coherent group, AdaVision retrieves relevant images from LAION-5B with CLIP. The user then labels a small amount of data for model correctness, which is used in successive retrieval rounds to hill-climb towards high-error regions, refining the group definition. Once a group is saturated, AdaVision uses GPT-3 to suggest new group descriptions for the user to explore. We demonstrate the usefulness and generality of AdaVision in user studies, where users find major bugs in state-of-the-art classification, object detection, and image captioning models. These user-discovered groups have failure rates 2-3x higher than those surfaced by automatic error clustering methods. Finally, finetuning on examples found with AdaVision fixes the discovered bugs when evaluated on unseen examples, without degrading in-distribution accuracy, and while also improving performance on out-of-distribution datasets.

Autonomous vehicles drive millions of miles on the road each year. Under such circumstances, deployed machine learning models are prone to failure both in seemingly normal situations and in the presence of outliers. However, in the training phase, they are only evaluated on small validation and test sets, which are unable to reveal model failures due to their limited scenario coverage. While it is difficult and expensive to acquire large and representative labeled datasets for evaluation, large-scale unlabeled datasets are typically available. In this work, we introduce label-free model failure detection for lidar-based point cloud segmentation, taking advantage of the abundance of unlabeled data available. We leverage different data characteristics by training a supervised and self-supervised stream for the same task to detect failure modes. We perform a large-scale qualitative analysis and present LidarCODA, the first publicly available dataset with labeled anomalies in real-world lidar data, for an extensive quantitative analysis.

Recent studies have revealed that self-sustaining cascading failures in distributed systems frequently lead to widespread outages, which are challenging to contain and recover from. Existing failure detection techniques struggle to expose such failures prior to deployment, as they typically require a complex combination of specific conditions to be triggered. This challenge stems from the inherent nature of cascading failures, as they typically involve a sequence of fault propagations, each activated by distinct conditions. This paper presents CSnake, a fault injection framework to expose self-sustaining cascading failures in distributed systems. CSnake uses the novel idea of causal stitching, which causally links multiple single-fault injections in different tests to simulate complex fault propagation chains. To identify these chains, CSnake designs a counterfactual causality analysis of fault propagations - fault causality analysis (FCA): FCA compares the execution trace of a fault injection run with its corresponding profile run (i.e., same test w/o the injection) and identifies any additional faults triggered, which are considered to have a causal relationship with the injected fault. To address the large search space of fault and workload combinations, CSnake employs a three-phase allocation protocol of test budget that prioritizes faults with unique and diverse causal consequences, increasing the likelihood of uncovering conditional fault propagations. Furthermore, to avoid incorrectly connecting fault propagations from workloads with incompatible conditions, CSnake performs a local compatibility check that approximately checks the compatibility of the path constraints associated with connected fault propagations with low overhead. CSnake detected 15 bugs that cause self-sustaining cascading failures in five systems, five of which have been confirmed with two fixed.

Differentiable programming techniques are widely used in the community and are responsible for the machine learning renaissance of the past several decades. While these methods are powerful, they have limits. In this short report, we discuss a common chaos based failure mode which appears in a variety of differentiable circumstances, ranging from recurrent neural networks and numerical physics simulation to training learned optimizers. We trace this failure to the spectrum of the Jacobian of the system under study, and provide criteria for when a practitioner might expect this failure to spoil their differentiation based optimization algorithms.

Large Language Models (LLMs) have emerged as powerful operators for evolutionary search, yet the design of efficient search scaffolds remains ad hoc. While promising, current LLM-in-the-loop systems lack a systematic approach to managing the evolutionary process. We identify three distinct failure modes: Context Pollution, where experiment history biases future candidate generation; Mode Collapse, where agents stagnate in local minima due to poor exploration-exploitation balance; and Weak Collaboration, where rigid crossover strategies fail to leverage parallel search trajectories effectively. We introduce Progress-Aware Consistent Evolution (PACEvolve), a framework designed to robustly govern the agent's context and search dynamics, to address these challenges. PACEvolve combines hierarchical context management (HCM) with pruning to address context pollution; momentum-based backtracking (MBB) to escape local minima; and a self-adaptive sampling policy that unifies backtracking and crossover for dynamic search coordination (CE), allowing agents to balance internal refinement with cross-trajectory collaboration. We demonstrate that PACEvolve provides a systematic path to consistent, long-horizon self-improvement, achieving state-of-the-art results on LLM-SR and KernelBench, while discovering solutions surpassing the record on Modded NanoGPT.

Outcome-reward reinforcement learning (RL) has proven effective at improving the reasoning capabilities of large language models (LLMs). However, standard RL assigns credit only at the level of the final answer, penalizing entire reasoning traces when the outcome is incorrect and uniformly reinforcing all steps when it is correct. As a result, correct intermediate steps may be discouraged in failed traces, while spurious steps may be reinforced in successful ones. We refer to this failure mode as the problem of credit assignment. While a natural remedy is to train a process reward model, accurately optimizing such models to identify corrective reasoning steps remains challenging. We introduce Intervention Training (InT), a training paradigm in which the model performs fine-grained credit assignment on its own reasoning traces by proposing short, targeted corrections that steer trajectories toward higher reward. Using reference solutions commonly available in mathematical reasoning datasets and exploiting the fact that verifying a model-generated solution is easier than generating a correct one from scratch, the model identifies the first error in its reasoning and proposes a single-step intervention to redirect the trajectory toward the correct solution. We then apply supervised fine-tuning (SFT) to the on-policy rollout up to the point of error concatenated with the intervention, localizing error to the specific step that caused failure. We show that the resulting model serves as a far better initialization for RL training. After running InT and subsequent fine-tuning with RL, we improve accuracy by nearly 14% over a 4B-parameter base model on IMO-AnswerBench, outperforming larger open-source models such as gpt-oss-20b.

The rapid proliferation of Large Language Models (LLMs) and diverse specialized benchmarks necessitates a shift from fragmented, task-specific metrics to a holistic, competitive ranking system that effectively aggregates performance across multiple ability dimensions. Primarily using static scoring, current evaluation methods are fundamentally limited. They struggle to determine the proper mix ratio across diverse benchmarks, and critically, they fail to capture a model's dynamic competitive fitness or its vulnerability when confronted with sequential, high-stakes tasks. To address this, we introduce the novel Competitive Swiss-System Dynamics (CSD) framework. CSD simulates a multi-round, sequential contest where models are dynamically paired across a curated sequence of benchmarks based on their accumulated win-loss record. And Monte Carlo Simulation (N=100,000 iterations) is used to approximate the statistically robust Expected Win Score (E[S_m]), which eliminates the noise of random pairing and early-round luck. Furthermore, we implement a Failure Sensitivity Analysis by parameterizing the per-round elimination quantity (T_k), which allows us to profile models based on their risk appetite--distinguishing between robust generalists and aggressive specialists. We demonstrate that CSD provides a more nuanced and context-aware ranking than traditional aggregate scoring and static pairwise models, representing a vital step towards risk-informed, next-generation LLM evaluation.

While vision-language-action models (VLAs) have shown promising robotic behaviors across a diverse set of manipulation tasks, they achieve limited success rates when deployed on novel tasks out-of-the-box. To allow these policies to safely interact with their environments, we need a failure detector that gives a timely alert such that the robot can stop, backtrack, or ask for help. However, existing failure detectors are trained and tested only on one or a few specific tasks, while VLAs require the detector to generalize and detect failures also in unseen tasks and novel environments. In this paper, we introduce the multitask failure detection problem and propose SAFE, a failure detector for generalist robot policies such as VLAs. We analyze the VLA feature space and find that VLAs have sufficient high-level knowledge about task success and failure, which is generic across different tasks. Based on this insight, we design SAFE to learn from VLA internal features and predict a single scalar indicating the likelihood of task failure. SAFE is trained on both successful and failed rollouts, and is evaluated on unseen tasks. SAFE is compatible with different policy architectures. We test it on OpenVLA, pi_0, and pi_0-FAST in both simulated and real-world environments extensively. We compare SAFE with diverse baselines and show that SAFE achieves state-of-the-art failure detection performance and the best trade-off between accuracy and detection time using conformal prediction. More qualitative results can be found at https://vla-safe.github.io/.

Current evaluations of LLM safety predominantly rely on severity-based taxonomies to assess the harmfulness of malicious queries. We argue that this formulation requires re-examination as it assumes uniform risk across all malicious queries, neglecting Execution Likelihood--the conditional probability of a threat being realized given the model's response. In this work, we introduce Expected Harm, a metric that weights the severity of a jailbreak by its execution likelihood, modeled as a function of execution cost. Through empirical analysis of state-of-the-art models, we reveal a systematic Inverse Risk Calibration: models disproportionately exhibit stronger refusal behaviors for low-likelihood (high-cost) threats while remaining vulnerable to high-likelihood (low-cost) queries. We demonstrate that this miscalibration creates a structural vulnerability: by exploiting this property, we increase the attack success rate of existing jailbreaks by up to 2times. Finally, we trace the root cause of this failure using linear probing, which reveals that while models encode severity in their latent space to drive refusal decisions, they possess no distinguishable internal representation of execution cost, making them "blind" to this critical dimension of risk.

We introduce SWE-Bench Pro, a substantially more challenging benchmark that builds upon the best practices of SWE-BENCH [25], but is explicitly designed to capture realistic, complex, enterprise-level problems beyond the scope of SWE-BENCH. SWE-BENCH PRO contains 1,865 problems sourced from a diverse set of 41 actively maintained repositories spanning business applications, B2B services, and developer tools. The benchmark is partitioned into a public set with open access to problems sourced from 11 repositories, a held-out set of 12 repositories and a commercial set of 18 proprietary repositories where we have formal partnership agreements with early-stage startups. Problems in the held-out and the commercial set are not publicly accessible, but we release results on the commercial set. Our benchmark features long-horizon tasks that may require hours to days for a professional software engineer to complete, often involving patches across multiple files and substantial code modifications. All tasks are human-verified and augmented with sufficient context to ensure resolvability. In our evaluation of widely used coding models, under a unified scaffold, we observe that their performance on SWE-Bench PRO remains below 25% (Pass@1), with GPT-5 achieving the highest score to date at 23.3%. To better understand these limitations, we cluster the failure modes observed in the collected agent trajectories for a clearer characterization of the error patterns exhibited by current models. Overall, SWE-BENCH PRO provides a contamination-resistant testbed that more faithfully captures the complexity and diversity of real-world software development, advancing the pursuit of truly autonomous software engineering agents at a professional level.

Multi-agent systems (MAS) are increasingly capable of tackling complex real-world tasks, yet their reliance on inter-agent coordination, tool use, and long-horizon reasoning makes error recognition particularly challenging. Minor errors can propagate across agents, escalating into task failures while producing long, intertwined execution trajectories that impose significant costs for both human developers and automated systems to debug and analyze. Our key insight is that, despite surface differences in failure trajectories (e.g., logs), MAS errors often recur with similar structural patterns. This paper presents CORRECT, the first lightweight, training-free framework that leverages an online cache of distilled error schemata to recognize and transfer knowledge of failure structures across new requests. This cache-based reuse allows LLMs to perform targeted error localization at inference time, avoiding the need for expensive retraining while adapting to dynamic MAS deployments in subseconds. To support rigorous study in this domain, we also introduce CORRECT-Error, a large-scale dataset of over 2,000 annotated trajectories collected through a novel error-injection pipeline guided by real-world distributions, and further validated through human evaluation to ensure alignment with natural failure patterns. Experiments across seven diverse MAS applications show that CORRECT improves step-level error localization up to 19.8% over existing advances while at near-zero overhead, substantially narrowing the gap between automated and human-level error recognition.

As Multi-Agent Systems (MAS) become increasingly autonomous and complex, understanding their error modes is critical for ensuring their reliability and safety. However, research in this area has been severely hampered by the lack of large-scale, diverse datasets with precise, ground-truth error labels. To address this bottleneck, we introduce AEGIS, a novel framework for Automated Error Generation and Identification for Multi-Agent Systems. By systematically injecting controllable and traceable errors into initially successful trajectories, we create a rich dataset of realistic failures. This is achieved using a context-aware, LLM-based adaptive manipulator that performs sophisticated attacks like prompt injection and response corruption to induce specific, predefined error modes. We demonstrate the value of our dataset by exploring three distinct learning paradigms for the error identification task: Supervised Fine-Tuning, Reinforcement Learning, and Contrastive Learning. Our comprehensive experiments show that models trained on AEGIS data achieve substantial improvements across all three learning paradigms. Notably, several of our fine-tuned models demonstrate performance competitive with or superior to proprietary systems an order of magnitude larger, validating our automated data generation framework as a crucial resource for developing more robust and interpretable multi-agent systems. Our project website is available at https://kfq20.github.io/AEGIS-Website.

As contemporary microservice systems become increasingly popular and complex-often comprising hundreds or even thousands of fine-grained, interdependent subsystems-they are facing more frequent failures. Ensuring system reliability thus demands accurate root cause localization. While traces and metrics have proven to be effective data sources for this task, existing methods either heavily rely on pre-defined schemas, which struggle to adapt to evolving operational contexts, or lack interpretability in their reasoning process, thereby leaving Site Reliability Engineers (SREs) confused. In this paper, we conduct a comprehensive study on how SREs localize the root cause of failures, drawing insights from multiple professional SREs across different organizations. Our investigation reveals that human root cause analysis exhibits three key characteristics: recursiveness, multi-dimensional expansion, and cross-modal reasoning. Motivated by these findings, we introduce RCLAgent, an adaptive root cause localization method for microservice systems that leverages a multi-agent recursion-of-thought framework. RCLAgent employs a novel recursion-of-thought strategy to guide the LLM's reasoning process, effectively integrating data from multiple agents and tool-assisted analysis to accurately pinpoint the root cause. Experimental evaluations on various public datasets demonstrate that RCLAgent achieves superior performance by localizing the root cause using only a single request-outperforming state-of-the-art methods that depend on aggregating multiple requests. These results underscore the effectiveness of RCLAgent in enhancing the efficiency and precision of root cause localization in complex microservice environments.

Multi-agent systems (MAS) are critical for automating complex tasks, yet their practical deployment is severely hampered by the challenge of failure attribution. Current diagnostic tools, which rely on statistical correlations, are fundamentally inadequate; on challenging benchmarks like Who\&When, state-of-the-art methods achieve less than 15\% accuracy in locating the root-cause step of a failure. To address this critical gap, we introduce the first failure attribution framework for MAS grounded in multi-granularity causal inference. Our approach makes two key technical contributions: (1) a performance causal inversion principle, which correctly models performance dependencies by reversing the data flow in execution logs, combined with Shapley values to accurately assign agent-level blame; (2) a novel causal discovery algorithm, CDC-MAS, that robustly identifies critical failure steps by tackling the non-stationary nature of MAS interaction data. The framework's attribution results directly fuel an automated optimization loop, generating targeted suggestions whose efficacy is validated via counterfactual simulations. Evaluations on the Who\&When and TRAIL benchmarks demonstrate a significant leap in performance. Our method achieves up to 36.2\% step-level accuracy. Crucially, the generated optimizations boost overall task success rates by an average of 22.4\%. This work provides a principled and effective solution for debugging complex agent interactions, paving the way for more reliable and interpretable multi-agent systems.

One of the main challenges developers face in the use of continuous integration (CI) and deployment pipelines is the occurrence of intermittent job failures, which result from unexpected non-deterministic issues (e.g., flaky tests or infrastructure problems) rather than regular code-related errors such as bugs. Prior studies developed machine learning (ML) models trained on large datasets of job logs to classify job failures as either intermittent or regular. As an alternative to costly manual labeling of large datasets, the state-of-the-art (SOTA) approach leveraged a heuristic based on non-deterministic job reruns. However, this method mislabels intermittent job failures as regular in contexts where rerunning suspicious job failures is not an explicit policy, and therefore limits the SOTA's performance in practice. In fact, our manual analysis of 2,125 job failures from 5 industrial and 1 open-source projects reveals that, on average, 32% of intermittent job failures are mislabeled as regular. To address these limitations, this paper introduces a novel approach to intermittent job failure detection using few-shot learning (FSL). Specifically, we fine-tune a small language model using a few number of manually labeled log examples to generate rich embeddings, which are then used to train an ML classifier. Our FSL-based approach achieves 70-88% F1-score with only 12 shots in all projects, outperforming the SOTA, which proved ineffective (34-52% F1-score) in 4 projects. Overall, this study underlines the importance of data quality over quantity and provides a more efficient and practical framework for the detection of intermittent job failures in organizations.

Large language model (LLM)-based multi-agent systems are challenging to debug because failures often arise from long, branching interaction traces. The prevailing practice is to leverage LLMs for log-based failure localization, attributing errors to a specific agent and step. However, this paradigm has two key limitations: (i) log-only debugging lacks validation, producing untested hypotheses, and (ii) single-step or single-agent attribution is often ill-posed, as we find that multiple distinct interventions can independently repair the failed task. To address the first limitation, we introduce DoVer, an intervention-driven debugging framework, which augments hypothesis generation with active verification through targeted interventions (e.g., editing messages, altering plans). For the second limitation, rather than evaluating on attribution accuracy, we focus on measuring whether the system resolves the failure or makes quantifiable progress toward task success, reflecting a more outcome-oriented view of debugging. Within the Magnetic-One agent framework, on the datasets derived from GAIA and AssistantBench, DoVer flips 18-28% of failed trials into successes, achieves up to 16% milestone progress, and validates or refutes 30-60% of failure hypotheses. DoVer also performs effectively on a different dataset (GSMPlus) and agent framework (AG2), where it recovers 49% of failed trials. These results highlight intervention as a practical mechanism for improving reliability in agentic systems and open opportunities for more robust, scalable debugging methods for LLM-based multi-agent systems. Project website and code will be available at https://aka.ms/DoVer.

Failure attribution in LLM multi-agent systems-identifying the agent and step responsible for task failures-provides crucial clues for systems debugging but remains underexplored and labor-intensive. In this paper, we propose and formulate a new research area: automated failure attribution for LLM multi-agent systems. To support this initiative, we introduce the Who&When dataset, comprising extensive failure logs from 127 LLM multi-agent systems with fine-grained annotations linking failures to specific agents and decisive error steps. Using the Who&When, we develop and evaluate three automated failure attribution methods, summarizing their corresponding pros and cons. The best method achieves 53.5% accuracy in identifying failure-responsible agents but only 14.2% in pinpointing failure steps, with some methods performing below random. Even SOTA reasoning models, such as OpenAI o1 and DeepSeek R1, fail to achieve practical usability. These results highlight the task's complexity and the need for further research in this area. Code and dataset are available at https://github.com/mingyin1/Agents_Failure_Attribution

Large Language Model (LLM) agents, which integrate planning, memory, reflection, and tool-use modules, have shown promise in solving complex, multi-step tasks. Yet their sophisticated architectures amplify vulnerability to cascading failures, where a single root-cause error propagates through subsequent decisions, leading to task failure. Current systems lack a framework that can comprehensively understand agent error in a modular and systemic way, and therefore fail to detect these errors accordingly. We address this gap with three contributions. First, we introduce the AgentErrorTaxonomy, a modular classification of failure modes spanning memory, reflection, planning, action, and system-level operations. Second, we construct AgentErrorBench, the first dataset of systematically annotated failure trajectories from ALFWorld, GAIA, and WebShop, grounding error analysis in real-world agent rollouts. Third, we propose AgentDebug, a debugging framework that isolates root-cause failures and provides corrective feedback, enabling agents to recover and iteratively improve. Experiments on AgentErrorBench show that AgentDebug achieves 24% higher all-correct accuracy and 17% higher step accuracy compared to the strongest baseline. Beyond detection, the targeted feedback generated by AgentDebug enables LLM agents to iteratively recover from failures, yielding up to 26% relative improvements in task success across ALFWorld, GAIA, and WebShop. These results establish principled debugging as a pathway to more reliable and adaptive LLM agents. The code and data will be available at https://github.com/ulab-uiuc/AgentDebug

Uncertainty in perception, actuation, and the environment often require multiple attempts for a robotic task to be successful. We study a class of problems providing (1) low-entropy indicators of terminal success / failure, and (2) unreliable (high-entropy) data to predict the final outcome of an ongoing task. Examples include a robot trying to connect with a charging station, parallel parking, or assembling a tightly-fitting part. The ability to restart after predicting failure early, versus simply running to failure, can significantly decrease the makespan, that is, the total time to completion, with the drawback of potentially short-cutting an otherwise successful operation. Assuming task running times to be Poisson distributed, and using a Markov Jump process to capture the dynamics of the underlying Markov Decision Process, we derive a closed form solution that predicts makespan based on the confusion matrix of the failure predictor. This allows the robot to learn failure prediction in a production environment, and only adopt a preemptive policy when it actually saves time. We demonstrate this approach using a robotic peg-in-hole assembly problem using a real robotic system. Failures are predicted by a dilated convolutional network based on force-torque data, showing an average makespan reduction from 101s to 81s (N=120, p<0.05). We posit that the proposed algorithm generalizes to any robotic behavior with an unambiguous terminal reward, with wide ranging applications on how robots can learn and improve their behaviors in the wild.

Despite their recent successes, Transformer-based large language models show surprising failure modes. A well-known example of such failure modes is their inability to length-generalize: solving problem instances at inference time that are longer than those seen during training. In this work, we further explore the root cause of this failure by performing a detailed analysis of model behaviors on the simple parity task. Our analysis suggests that length generalization failures are intricately related to a model's inability to perform random memory accesses within its context window. We present supporting evidence for this hypothesis by demonstrating the effectiveness of methodologies that circumvent the need for indexing or that enable random token access indirectly, through content-based addressing. We further show where and how the failure to perform random memory access manifests through attention map visualizations.

Robot manipulation policies often fail for unknown reasons, posing significant challenges for real-world deployment. Researchers and engineers typically address these failures using heuristic approaches, which are not only labor-intensive and costly but also prone to overlooking critical failure modes (FMs). This paper introduces Robot Manipulation Diagnosis (RoboMD), a systematic framework designed to automatically identify FMs arising from unanticipated changes in the environment. Considering the vast space of potential FMs in a pre-trained manipulation policy, we leverage deep reinforcement learning (deep RL) to explore and uncover these FMs using a specially trained vision-language embedding that encodes a notion of failures. This approach enables users to probabilistically quantify and rank failures in previously unseen environmental conditions. Through extensive experiments across various manipulation tasks and algorithms, we demonstrate RoboMD's effectiveness in diagnosing unknown failures in unstructured environments, providing a systematic pathway to improve the robustness of manipulation policies.

As Large Language Models (LLMs) are increasingly integrated into automated, multi-stage pipelines, risk patterns that arise from unvalidated trust between processing stages become a practical concern. This paper presents a mechanism-centered taxonomy of 41 recurring risk patterns in commercial LLMs. The analysis shows that inputs are often interpreted non-neutrally and can trigger implementation-shaped responses or unintended state changes even without explicit commands. We argue that these behaviors constitute architectural failure modes and that string-level filtering alone is insufficient. To mitigate such cross-stage vulnerabilities, we recommend zero-trust architectural principles, including provenance enforcement, context sealing, and plan revalidation, and we introduce "Countermind" as a conceptual blueprint for implementing these defenses.

Reasoning failures in large language models (LLMs) are typically measured only at the end of a generation, yet many failures manifest as a process-level breakdown: the model "loses the thread" mid-reasoning. We study whether such breakdowns are detectable from inference-time observables available in standard APIs (token log probabilities), without any training or fine-tuning. We define a simple instability signal that combines consecutive-step distributional shift (JSD) and uncertainty (entropy), summarize each trace by its peak instability strength, and show that this signal reliably predicts failure. Across GSM8K and HotpotQA, instability strength predicts wrong answers with above-chance AUC and yields monotonic bucket-level accuracy decline at scale across model sizes. Crucially, we show that instability is not uniformly harmful: early instability can reflect subsequent stabilization and a correct final answer (corrective instability), whereas late instability is more often followed by failure (destructive instability), even at comparable peak magnitudes, indicating that recoverability depends not only on how strongly the distribution changes but also on when such changes occur relative to the remaining decoding horizon. The method is model-agnostic, training-free, and reproducible, and is presented as a diagnostic lens rather than a corrective or control mechanism.

The ability to detect and analyze failed executions automatically is crucial for an explainable and robust robotic system. Recently, Large Language Models (LLMs) have demonstrated strong common sense reasoning skills on textual inputs. To leverage the power of LLM for robot failure explanation, we propose a framework REFLECT, which converts multi-sensory data into a hierarchical summary of robot past experiences and queries LLM with a progressive failure explanation algorithm. Conditioned on the explanation, a failure correction planner generates an executable plan for the robot to correct the failure and complete the task. To systematically evaluate the framework, we create the RoboFail dataset and show that our LLM-based framework is able to generate informative failure explanations that assist successful correction planning. Project website: https://roboreflect.github.io/

Autonomous systems, such as self-driving cars and drones, have made significant strides in recent years by leveraging visual inputs and machine learning for decision-making and control. Despite their impressive performance, these vision-based controllers can make erroneous predictions when faced with novel or out-of-distribution inputs. Such errors can cascade into catastrophic system failures and compromise system safety. In this work, we compute Neural Reachable Tubes, which act as parameterized approximations of Backward Reachable Tubes to stress-test the vision-based controllers and mine their failure modes. The identified failures are then used to enhance the system safety through both offline and online methods. The online approach involves training a classifier as a run-time failure monitor to detect closed-loop, system-level failures, subsequently triggering a fallback controller that robustly handles these detected failures to preserve system safety. For the offline approach, we improve the original controller via incremental training using a carefully augmented failure dataset, resulting in a more robust controller that is resistant to the known failure modes. In either approach, the system is safeguarded against shortcomings that transcend the vision-based controller and pertain to the closed-loop safety of the overall system. We validate the proposed approaches on an autonomous aircraft taxiing task that involves using a vision-based controller to guide the aircraft towards the centerline of the runway. Our results show the efficacy of the proposed algorithms in identifying and handling system-level failures, outperforming methods that rely on controller prediction error or uncertainty quantification for identifying system failures.

Language model deployments in consumer-facing applications introduce numerous risks. While existing research on harms and hazards of such applications follows top-down approaches derived from regulatory frameworks and theoretical analyses, empirical evidence of real-world failure modes remains underexplored. In this work, we introduce RealHarm, a dataset of annotated problematic interactions with AI agents built from a systematic review of publicly reported incidents. Analyzing harms, causes, and hazards specifically from the deployer's perspective, we find that reputational damage constitutes the predominant organizational harm, while misinformation emerges as the most common hazard category. We empirically evaluate state-of-the-art guardrails and content moderation systems to probe whether such systems would have prevented the incidents, revealing a significant gap in the protection of AI applications.

Large Language Model Powered Multi-Agent Systems (MASs) are increasingly employed to automate complex real-world problems, such as programming and scientific discovery. Despite their promising, MASs are not without their flaws. However, failure attribution in MASs - pinpointing the specific agent actions responsible for failures - remains underexplored and labor-intensive, posing significant challenges for debugging and system improvement. To bridge this gap, we propose FAMAS, the first spectrum-based failure attribution approach for MASs, which operates through systematic trajectory replay and abstraction, followed by spectrum analysis.The core idea of FAMAS is to estimate, from variations across repeated MAS executions, the likelihood that each agent action is responsible for the failure. In particular, we propose a novel suspiciousness formula tailored to MASs, which integrates two key factor groups, namely the agent behavior group and the action behavior group, to account for the agent activation patterns and the action activation patterns within the execution trajectories of MASs. Through expensive evaluations against 12 baselines on the Who and When benchmark, FAMAS demonstrates superior performance by outperforming all the methods in comparison.

Despite extensive diagnostics and debugging by developers, AI systems sometimes exhibit harmful unintended behaviors. Finding and fixing these is challenging because the attack surface is so large -- it is not tractable to exhaustively search for inputs that may elicit harmful behaviors. Red-teaming and adversarial training (AT) are commonly used to improve robustness, however, they empirically struggle to fix failure modes that differ from the attacks used during training. In this work, we utilize latent adversarial training (LAT) to defend against vulnerabilities without leveraging knowledge of what they are or using inputs that elicit them. LAT makes use of the compressed, abstract, and structured latent representations of concepts that the network actually uses for prediction. Here, we use it to defend against failure modes without examples that elicit them. Specifically, we use LAT to remove trojans and defend against held-out classes of adversarial attacks. We show in image classification, text classification, and text generation tasks that LAT usually improves both robustness to novel attacks and performance on clean data relative to AT. This suggests that LAT can be a promising tool for defending against failure modes that are not explicitly identified by developers.

We introduce self-invoking code generation, a new task designed to evaluate the progressive reasoning and problem-solving capabilities of LLMs. In this task, models are presented with a base problem and a related, more complex problem. They must solve the base problem and then utilize its solution to address the more complex one. This work features three key contributions. First, we propose a general recipe for generating more challenging versions of existing benchmarks, resulting in three new benchmarks: HumanEval Pro, MBPP Pro, and BigCodeBench-Lite Pro, specifically designed to assess LLMs on self-invoking code generation. Second, from the analysis of experimental results over twenty LLMs on our benchmarks, we have two important observations: (i) Most LLMs excel in traditional code generation benchmarks like HumanEval and MBPP, but their performance declines on self-invoking tasks. For example, o1-mini achieves 96.2% pass@1 on HumanEval but only 76.2% on HumanEval Pro. (ii) On self-invoking code generation task, the instruction-tuned models demonstrate only marginal improvements compared to the base models. Third, we disclose the types of failure modes that exist in our evaluation results. All these results underscore the need for further advancements in self-invoking code generation tasks and provide a new direction for future research on enhancing LLMs' code reasoning capabilities.

Large language models trained for safety and harmlessness remain susceptible to adversarial misuse, as evidenced by the prevalence of "jailbreak" attacks on early releases of ChatGPT that elicit undesired behavior. Going beyond recognition of the issue, we investigate why such attacks succeed and how they can be created. We hypothesize two failure modes of safety training: competing objectives and mismatched generalization. Competing objectives arise when a model's capabilities and safety goals conflict, while mismatched generalization occurs when safety training fails to generalize to a domain for which capabilities exist. We use these failure modes to guide jailbreak design and then evaluate state-of-the-art models, including OpenAI's GPT-4 and Anthropic's Claude v1.3, against both existing and newly designed attacks. We find that vulnerabilities persist despite the extensive red-teaming and safety-training efforts behind these models. Notably, new attacks utilizing our failure modes succeed on every prompt in a collection of unsafe requests from the models' red-teaming evaluation sets and outperform existing ad hoc jailbreaks. Our analysis emphasizes the need for safety-capability parity -- that safety mechanisms should be as sophisticated as the underlying model -- and argues against the idea that scaling alone can resolve these safety failure modes.

Software engineers develop, fine-tune, and deploy deep learning (DL) models. They use and re-use models in a variety of development frameworks and deploy them on a range of runtime environments. In this diverse ecosystem, engineers use DL model converters to move models from frameworks to runtime environments. However, errors in converters can compromise model quality and disrupt deployment. The failure frequency and failure modes of DL model converters are unknown. In this paper, we conduct the first failure analysis on DL model converters. Specifically, we characterize failures in model converters associated with ONNX (Open Neural Network eXchange). We analyze past failures in the ONNX converters in two major DL frameworks, PyTorch and TensorFlow. The symptoms, causes, and locations of failures (for N=200 issues), and trends over time are also reported. We also evaluate present-day failures by converting 8,797 models, both real-world and synthetically generated instances. The consistent result from both parts of the study is that DL model converters commonly fail by producing models that exhibit incorrect behavior: 33% of past failures and 8% of converted models fell into this category. Our results motivate future research on making DL software simpler to maintain, extend, and validate.

Discriminative approaches to classification often learn shortcuts that hold in-distribution but fail even under minor distribution shift. This failure mode stems from an overreliance on features that are spuriously correlated with the label. We show that generative classifiers, which use class-conditional generative models, can avoid this issue by modeling all features, both core and spurious, instead of mainly spurious ones. These generative classifiers are simple to train, avoiding the need for specialized augmentations, strong regularization, extra hyperparameters, or knowledge of the specific spurious correlations to avoid. We find that diffusion-based and autoregressive generative classifiers achieve state-of-the-art performance on five standard image and text distribution shift benchmarks and reduce the impact of spurious correlations in realistic applications, such as medical or satellite datasets. Finally, we carefully analyze a Gaussian toy setting to understand the inductive biases of generative classifiers, as well as the data properties that determine when generative classifiers outperform discriminative ones.

Reliable application of machine learning is of primary importance to the practical deployment of deep learning methods. A fundamental challenge is that models are often unreliable due to overconfidence. In this paper, we estimate a model's reliability by measuring the agreement between its latent space, and the latent space of a foundation model. However, it is challenging to measure the agreement between two different latent spaces due to their incoherence, \eg, arbitrary rotations and different dimensionality. To overcome this incoherence issue, we design a neighborhood agreement measure between latent spaces and find that this agreement is surprisingly well-correlated with the reliability of a model's predictions. Further, we show that fusing neighborhood agreement into a model's predictive confidence in a post-hoc way significantly improves its reliability. Theoretical analysis and extensive experiments on failure detection across various datasets verify the effectiveness of our method on both in-distribution and out-of-distribution settings.

Intermediate Representations (IRs) play a critical role in compiler design and program analysis, yet their comprehension by Large Language Models (LLMs) remains underexplored. In this paper, we present an explorative empirical study evaluating the capabilities of six state-of-the-art LLMs: GPT-4, GPT-3, DeepSeek, Gemma 2, Llama 3, and Code Llama, in understanding IRs. Specifically, we assess model performance across four core tasks: control flow graph reconstruction, decompilation, code summarization, and execution reasoning. While LLMs exhibit competence in parsing IR syntax and identifying high-level structures, they consistently struggle with instruction-level reasoning, especially in control flow reasoning, loop handling, and dynamic execution. Common failure modes include misinterpreting branching instructions, omitting critical operations, and relying on heuristic reasoning rather than precise instruction-level logic. Our findings highlight the need for IR-specific enhancements in LLM design. We recommend fine-tuning on structured IR datasets and integrating control-flow-sensitive architectures to improve model effectiveness. All experimental data and source code are publicly available at

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

Automatic Prompt Optimization (APO) has emerged as a critical technique for enhancing Large Language Model (LLM) performance, yet current state-of-the-art methods typically rely on large, labeled gold-standard development sets to compute fitness scores for evolutionary or Reinforcement Learning (RL) approaches. In real-world software engineering, however, such curated datasets are rarely available during the initial cold start of agent development, where engineers instead face messy production logs and evolving failure modes. We present ROAD (Reflective Optimization via Automated Debugging), a novel framework that bypasses the need for refined datasets by treating optimization as a dynamic debugging investigation rather than a stochastic search. Unlike traditional mutation strategies, ROAD utilizes a specialized multi-agent architecture, comprising an Analyzer for root-cause analysis, an Optimizer for pattern aggregation, and a Coach for strategy integration, to convert unstructured failure logs into robust, structured Decision Tree Protocols. We evaluated ROAD across both a standardized academic benchmark and a live production Knowledge Management engine. Experimental results demonstrate that ROAD is highly sample-efficient, achieving a 5.6 percent increase in success rate (73.6 percent to 79.2 percent) and a 3.8 percent increase in search accuracy within just three automated iterations. Furthermore, on complex reasoning tasks in the retail domain, ROAD improved agent performance by approximately 19 percent relative to the baseline. These findings suggest that mimicking the human engineering loop of failure analysis and patching offers a viable, data-efficient alternative to resource-intensive RL training for deploying reliable LLM agents.

Accurate remaining useful life (RUL) prediction hinges on the quality of health indicators (HIs), yet existing methods often fail to disentangle complex degradation mechanisms in multi-sensor systems or quantify uncertainty in HI reliability. This paper introduces a novel framework for HI construction, advancing three key contributions. First, we adapt Reconstruction along Projected Pathways (RaPP) as a health indicator (HI) for RUL prediction for the first time, showing that it outperforms traditional reconstruction error metrics. Second, we show that augmenting RaPP-derived HIs with aleatoric and epistemic uncertainty quantification (UQ) via Monte Carlo dropout and probabilistic latent spaces- significantly improves RUL-prediction robustness. Third, and most critically, we propose indicator groups, a paradigm that isolates sensor subsets to model system-specific degradations, giving rise to our novel method, I-GLIDE which enables interpretable, mechanism-specific diagnostics. Evaluated on data sourced from aerospace and manufacturing systems, our approach achieves marked improvements in accuracy and generalizability compared to state-of-the-art HI methods while providing actionable insights into system failure pathways. This work bridges the gap between anomaly detection and prognostics, offering a principled framework for uncertainty-aware degradation modeling in complex systems.

Reinforcement learning fine-tuning (RLFT) is a dominant paradigm for improving pretrained policies for downstream tasks. These pretrained policies, trained on large datasets, produce generations with a broad range of promising but unrefined behaviors. Often, a critical failure mode of RLFT arises when policies lose this diversity and collapse into a handful of easily exploitable outputs. This convergence hinders exploration, which is essential for expanding the capabilities of the pretrained policy and for amplifying the benefits of test-time compute scaling. To address this, we introduce an objective for policy gradient methods that explicitly enforces the exploration and refinement of diverse generations, which we call a polychromic objective. We then show how proximal policy optimization (PPO) can be adapted to optimize this objective. Our method (1) employs vine sampling to collect on-policy rollouts and (2) modifies the advantage function to reflect the advantage under our new objective. Experiments on BabyAI, Minigrid, and Algorithmic Creativity show that our method improves success rates by reliably solving a larger set of environment configurations and generalizes better under large perturbations. Moreover, when given multiple attempts in pass@k experiments, the policy achieves substantially higher coverage, demonstrating its ability to maintain and exploit a diverse repertoire of strategies.

Empirical evaluation serves as the primary compass guiding research progress in foundation models. Despite a large body of work focused on training frontier vision-language models (VLMs), approaches to their evaluation remain nascent. To guide their maturation, we propose three desiderata that evaluations should satisfy: (1) faithfulness to the modality and application, (2) discriminability between models of varying quality, and (3) efficiency in compute. Through this lens, we identify critical failure modes that violate faithfulness and discriminability, misrepresenting model capabilities: (i) multiple-choice formats reward guessing, poorly reflect downstream use cases, and saturate early as models improve; (ii) blindly solvable questions, which can be answered without images, constitute up to 70% of some evaluations; and (iii) mislabeled or ambiguous samples compromise up to 42% of examples in certain datasets. Regarding efficiency, the computational burden of evaluating frontier models has become prohibitive: by some accounts, nearly 20% of development compute is devoted to evaluation alone. Rather than discarding existing benchmarks, we curate them via transformation and filtering to maximize fidelity and discriminability. We find that converting multiple-choice questions to generative tasks reveals sharp capability drops of up to 35%. In addition, filtering blindly solvable and mislabeled samples improves discriminative power while simultaneously reducing computational cost. We release DatBench-Full, a cleaned evaluation suite of 33 datasets spanning nine VLM capabilities, and DatBench, a discriminative subset that achieves 13x average speedup (up to 50x) while closely matching the discriminative power of the original datasets. Our work outlines a path toward evaluation practices that are both rigorous and sustainable as VLMs continue to scale.

Deep Research Agents (DRAs) aim to automatically produce analyst-level reports through iterative information retrieval and synthesis. However, most existing DRAs were validated on question-answering benchmarks, while research on generating comprehensive reports remains overlooked. Worse, current benchmarks for report synthesis suffer from task complexity and subjective metrics -- this fails to reflect user demands and limits the practical utility of generated reports. To address these gaps, we present Fine-grained DEepResearch bench (FINDER), an enhanced benchmark consisting of 100 human-curated research tasks with 419 structured checklist items that standardize report structure, analytical depth, and factual grounding. Based on approximately 1,000 reports produced by mainstream DRAs, we further propose Deep rEsearch Failure Taxonomy (DEFT), the first failure taxonomy for deep research agents. DEFT contains 14 fine-grained failure modes across reasoning, retrieval, and generation, and is built upon grounded theory with human-LLM co-annotating and inter-annotator reliability validation. Our experimental findings reveal that current DRAs struggle not with task comprehension but with evidence integration, verification, and reasoning-resilient planning.

When deploying large language models (LLMs), it is important to ensure that these models are not only capable, but also reliable. Many benchmarks have been created to track LLMs' growing capabilities, however there has been no similar focus on measuring their reliability. To understand the potential ramifications of this gap, we investigate how well current benchmarks quantify model reliability. We find that pervasive label errors can compromise these evaluations, obscuring lingering model failures and hiding unreliable behavior. Motivated by this gap in the evaluation of reliability, we then propose the concept of so-called platinum benchmarks, i.e., benchmarks carefully curated to minimize label errors and ambiguity. As a first attempt at constructing such benchmarks, we revise examples from fifteen existing popular benchmarks. We evaluate a wide range of models on these platinum benchmarks and find that, indeed, frontier LLMs still exhibit failures on simple tasks such as elementary-level math word problems. Analyzing these failures further reveals previously unidentified patterns of problems on which frontier models consistently struggle. We provide code at https://github.com/MadryLab/platinum-benchmarks

Robotic manipulation in open-world settings requires not only task execution but also the ability to detect and learn from failures. While recent advances in vision-language models (VLMs) and large language models (LLMs) have improved robots' spatial reasoning and problem-solving abilities, they still struggle with failure recognition, limiting their real-world applicability. We introduce AHA, an open-source VLM designed to detect and reason about failures in robotic manipulation using natural language. By framing failure detection as a free-form reasoning task, AHA identifies failures and provides detailed, adaptable explanations across different robots, tasks, and environments. We fine-tuned AHA using FailGen, a scalable framework that generates the first large-scale dataset of robotic failure trajectories, the AHA dataset. FailGen achieves this by procedurally perturbing successful demonstrations from simulation. Despite being trained solely on the AHA dataset, AHA generalizes effectively to real-world failure datasets, robotic systems, and unseen tasks. It surpasses the second-best model (GPT-4o in-context learning) by 10.3% and exceeds the average performance of six compared models including five state-of-the-art VLMs by 35.3% across multiple metrics and datasets. We integrate AHA into three manipulation frameworks that utilize LLMs/VLMs for reinforcement learning, task and motion planning, and zero-shot trajectory generation. AHA's failure feedback enhances these policies' performances by refining dense reward functions, optimizing task planning, and improving sub-task verification, boosting task success rates by an average of 21.4% across all three tasks compared to GPT-4 models.

The task of root cause analysis (RCA) is to identify the root causes of system faults/failures by analyzing system monitoring data. Efficient RCA can greatly accelerate system failure recovery and mitigate system damages or financial losses. However, previous research has mostly focused on developing offline RCA algorithms, which often require manually initiating the RCA process, a significant amount of time and data to train a robust model, and then being retrained from scratch for a new system fault. In this paper, we propose CORAL, a novel online RCA framework that can automatically trigger the RCA process and incrementally update the RCA model. CORAL consists of Trigger Point Detection, Incremental Disentangled Causal Graph Learning, and Network Propagation-based Root Cause Localization. The Trigger Point Detection component aims to detect system state transitions automatically and in near-real-time. To achieve this, we develop an online trigger point detection approach based on multivariate singular spectrum analysis and cumulative sum statistics. To efficiently update the RCA model, we propose an incremental disentangled causal graph learning approach to decouple the state-invariant and state-dependent information. After that, CORAL applies a random walk with restarts to the updated causal graph to accurately identify root causes. The online RCA process terminates when the causal graph and the generated root cause list converge. Extensive experiments on three real-world datasets with case studies demonstrate the effectiveness and superiority of the proposed framework.

Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

Recent advances in large language models (LLMs) have increased the demand for comprehensive benchmarks to evaluate their capabilities as human-like agents. Existing benchmarks, while useful, often focus on specific application scenarios, emphasizing task completion but failing to dissect the underlying skills that drive these outcomes. This lack of granularity makes it difficult to deeply discern where failures stem from. Additionally, setting up these environments requires considerable effort, and issues of unreliability and reproducibility sometimes arise, especially in interactive tasks. To address these limitations, we introduce the Massive Multitask Agent Understanding (MMAU) benchmark, featuring comprehensive offline tasks that eliminate the need for complex environment setups. It evaluates models across five domains, including teal{Tool-use}, teal{Directed Acyclic Graph (DAG) QA}, teal{Data Science and Machine Learning coding}, teal{Contest-level programming} and teal{Mathematics}, and covers five essential capabilities: orange{Understanding}, orange{Reasoning}, orange{Planning}, orange{Problem-solving}, and orange{Self-correction}. With a total of 20 meticulously designed tasks encompassing over 3K distinct prompts, MMAU provides a comprehensive framework for evaluating the strengths and limitations of LLM agents. By testing 18 representative models on MMAU, we provide deep and insightful analyses. Ultimately, MMAU not only sheds light on the capabilities and limitations of LLM agents but also enhances the interpretability of their performance. Datasets and evaluation scripts of MMAU are released at https://github.com/apple/axlearn/docs/research/mmau.

Error slice discovery is crucial to diagnose and mitigate model errors. Current clustering or discrete attribute-based slice discovery methods face key limitations: 1) clustering results in incoherent slices, while assigning discrete attributes to slices leads to incomplete coverage of error patterns due to missing or insufficient attributes; 2) these methods lack complex reasoning, preventing them from fully explaining model biases; 3) they fail to integrate domain knowledge, limiting their usage in specialized fields \eg radiology. We propose\ladder (Language-Driven Discovery and Error Rectification), to address the limitations by: (1) leveraging the flexibility of natural language to address incompleteness, (2) employing LLM's latent domain knowledge and advanced reasoning to analyze sentences and derive testable hypotheses directly, identifying biased attributes, and form coherent error slices without clustering. Existing mitigation methods typically address only the worst-performing group, often amplifying errors in other subgroups. In contrast,\ladder generates pseudo attributes from the discovered hypotheses to mitigate errors across all biases without explicit attribute annotations or prior knowledge of bias. Rigorous evaluations on 6 datasets spanning natural and medical images -- comparing 200+ classifiers with diverse architectures, pretraining strategies, and LLMs -- show that\ladder consistently outperforms existing baselines in discovering and mitigating biases.

In recent years, microservices have gained widespread adoption in IT operations due to their scalability, maintenance, and flexibility. However, it becomes challenging for site reliability engineers (SREs) to pinpoint the root cause due to the complex relationships in microservices when facing system malfunctions. Previous research employed structured learning methods (e.g., PC-algorithm) to establish causal relationships and derive root causes from causal graphs. Nevertheless, they ignored the temporal order of time series data and failed to leverage the rich information inherent in the temporal relationships. For instance, in cases where there is a sudden spike in CPU utilization, it can lead to an increase in latency for other microservices. However, in this scenario, the anomaly in CPU utilization occurs before the latency increase, rather than simultaneously. As a result, the PC-algorithm fails to capture such characteristics. To address these challenges, we propose RUN, a novel approach for root cause analysis using neural Granger causal discovery with contrastive learning. RUN enhances the backbone encoder by integrating contextual information from time series, and leverages a time series forecasting model to conduct neural Granger causal discovery. In addition, RUN incorporates Pagerank with a personalization vector to efficiently recommend the top-k root causes. Extensive experiments conducted on the synthetic and real-world microservice-based datasets demonstrate that RUN noticeably outperforms the state-of-the-art root cause analysis methods. Moreover, we provide an analysis scenario for the sock-shop case to showcase the practicality and efficacy of RUN in microservice-based applications. Our code is publicly available at https://github.com/zmlin1998/RUN.

Predicting the remaining useful life (RUL) of ball bearings is an active area of research, where novel machine learning techniques are continuously being applied to predict degradation trends and anticipate failures before they occur. However, few studies have explicitly addressed the challenge of handling censored data, where information about a specific event (\eg mechanical failure) is incomplete or only partially observed. To address this issue, we introduce a novel and flexible method for early fault detection using Kullback-Leibler (KL) divergence and RUL estimation using survival analysis that naturally supports censored data. We demonstrate our approach in the XJTU-SY dataset using a 5-fold cross-validation strategy across three different operating conditions. When predicting the time to failure for bearings under the highest load (C1, 12.0 kN and 2100 RPM) with 25% random censoring, our approach achieves a mean absolute error (MAE) of 14.7 minutes (95% CI = 13.6-15.8) using a linear CoxPH model, and an MAE of 12.6 minutes (95% CI = 11.8-13.4) using a nonlinear Random Survival Forests model, compared to an MAE of 18.5 minutes (95% CI = 17.4-19.6) using a linear LASSO model that does not support censoring. Moreover, our approach achieves a mean cumulative relative accuracy (CRA) of 0.7586 over 5 bearings under the highest load, which improves over several state-of-the-art baselines. Our work highlights the importance of considering censored data as part of the model design when building predictive models for early fault detection and RUL estimation.

We perform a thorough analysis of the formal and informal statements in the miniF2F benchmark from the perspective of an AI system that is tasked to participate in a math Olympiad consisting of the problems in miniF2F. In such setting, the model has to read and comprehend the problems in natural language, formalize them in Lean language, then proceed with proving the problems, and it will get credit for each problem if the formal proof corresponds to the original informal statement presented to the model. Our evaluation results reveal that the best accuracy of such pipeline can be about 36% using the SoTA models in the literature, considerably lower than the individual SoTA accuracies, 97% and 69% reported in the autoformalization and theorem proving literature. Analyzing the failure modes, we trace back a considerable portion of this drop to discrepancies between the formal and informal statements for more than half of the problems in miniF2F. We proceed with correcting all the errors, discrepancies and simplifications in formal and informal statements, and present the miniF2F-v2 with fully verified formal and informal statements and proofs. Evaluating the full theorem proving pipeline on miniF2F-v2 leads to the best accuracy of 70%, a significant improvement from the 40% on the original miniF2F, yet indicating considerable misalignment between the autoformalization models and theorem provers. Our deep analysis suggests that a higher quality benchmark can help the community better evaluate progress in the field of formal reasoning and also better diagnose the failure and success modes of autoformalization and theorem proving models. Our dataset is available at https://github.com/roozbeh-yz/miniF2F_v2.

Public repositories host millions of fine-tuned models, yet community usage remains disproportionately concentrated on a small number of foundation checkpoints. We investigate whether this concentration reflects efficient market selection or if superior models are systematically overlooked. Through an extensive evaluation of over 2,000 models, we show the prevalence of "hidden gems", unpopular fine-tunes that significantly outperform their popular counterparts. Notably, within the Llama-3.1-8B family, we find rarely downloaded checkpoints that improve math performance from 83.2% to 96.0% without increasing inference costs. However, discovering these models through exhaustive evaluation of every uploaded model is computationally infeasible. We therefore formulate model discovery as a Multi-Armed Bandit problem and accelerate the Sequential Halving search algorithm by using shared query sets and aggressive elimination schedules. Our method retrieves top models with as few as 50 queries per candidate, accelerating discovery by over 50x.

Despite widespread deployment of Large Language Models, systematic evaluation of instruction-following capabilities remains challenging. While comprehensive benchmarks exist, focused assessments that quickly diagnose specific instruction adherence patterns are valuable. As newer models may be trained on existing benchmarks, novel evaluation approaches are needed to assess genuine capabilities rather than memorized performance. This paper presents a streamlined evaluation framework using twenty carefully designed prompts to assess LLM instruction-following across diverse task categories. We demonstrate this framework through a large-scale empirical study conducted on October 14, 2025, testing 256 verified working models from 331 available via OpenRouter. To ensure methodological rigor and prevent selection bias, we first verified each model's basic functionality before inclusion. Unlike large-scale benchmarks requiring extensive computational resources, our approach offers a practical diagnostic tool researchers and practitioners can readily apply. Our methodology builds upon verifiable instructions while introducing a compact test suite balancing comprehensiveness with efficiency. Each prompt targets distinct aspects of instruction following, including format compliance, content constraints, logical sequencing, and multi-step task execution. We evaluate models from major providers (OpenAI, Anthropic, Google, Meta, Mistral) and emerging implementations (Qwen, DeepSeek, community models), providing comparative performance analysis. Our findings reveal consistent failure modes and identify specific instruction types posing particular challenges. This work contributes both a practical evaluation tool and one of the most comprehensive empirical analyses of instruction-following capabilities across the contemporary LLM landscape.

Automatic detection and prevention of open-set failures are crucial in closed-loop robotic systems. Recent studies often struggle to simultaneously identify unexpected failures reactively after they occur and prevent foreseeable ones proactively. To this end, we propose Code-as-Monitor (CaM), a novel paradigm leveraging the vision-language model (VLM) for both open-set reactive and proactive failure detection. The core of our method is to formulate both tasks as a unified set of spatio-temporal constraint satisfaction problems and use VLM-generated code to evaluate them for real-time monitoring. To enhance the accuracy and efficiency of monitoring, we further introduce constraint elements that abstract constraint-related entities or their parts into compact geometric elements. This approach offers greater generality, simplifies tracking, and facilitates constraint-aware visual programming by leveraging these elements as visual prompts. Experiments show that CaM achieves a 28.7% higher success rate and reduces execution time by 31.8% under severe disturbances compared to baselines across three simulators and a real-world setting. Moreover, CaM can be integrated with open-loop control policies to form closed-loop systems, enabling long-horizon tasks in cluttered scenes with dynamic environments.

Large reasoning models (e.g., R1, o3) have demonstrated remarkable mathematical problem-solving abilities. However, the high reported accuracy of these advanced models on popular datasets, reliance on purely numerical evaluation and potential benchmark leakage, often masks their true reasoning shortcomings. To address this, we propose leveraging the inherent rigor and methodological complexity of mathematical proofs as a diagnostic tool to expose these hidden failures. Specifically, we introduce the RFMDataset (Reveal Failure Modes), a collection of 200 diverse mathematical proof problems, and thoroughly evaluate advanced models' performance on it. Our in-depth analysis of their failures uncovers 10 fine-grained error types, which shows fundamental limitations in current large reasoning models: 1) large reasoning models grapple profoundly with mathematical proofs, with some generating entirely correct proofs for less than 20% of problems and failing even on basic ones; 2) models exhibit a diverse spectrum of reasoning failures, prominently demonstrating the lack of guarantees for the correctness and rigor of single-step reasoning; and 3) models show hallucination and incompleteness during the reasoning process. Our findings reveal that models' self-reflection is insufficient to resolve the current logical dilemmas, necessitating formalized and fine-grained logical training.

Multimodal large language models (MLLMs) are increasingly deployed in open-ended, real-world environments where inputs are messy, underspecified, and not always trustworthy. Unlike curated benchmarks, these settings frequently involve instructions that refer to missing objects or contradictory facts, rely on ambiguous references, or request infeasible actions. In such cases, success hinges not on task execution alone, but on a model's ability to detect when something is silently wrong. This paper presents a systematic analysis of how current MLLMs handle such implicit reasoning scenarios: cases where the flaw is not explicitly stated but must be inferred from context. Using a curated diagnostic suite spanning four categories of real-world failure modes, we evaluate six MLLMs, including o3 and GPT-4o, and find that models frequently fail to surface hidden issues, even when they possess the necessary perceptual and reasoning skills. Explicit prompting reveals that the underlying capabilities exist but are often suppressed in favor of user compliance. We further show that simple inference-time interventions, such as cautious persona prompting and, in particular, requiring a clarifying question, can dramatically recover performance. Our findings highlight a persistent gap between reasoning competence and behavioral compliance in current MLLMs and suggest practical strategies for making these models more trustworthy in underconstrained environments.

We present the design, implementation and engineering experience in building and deploying MegaScale, a production system for training large language models (LLMs) at the scale of more than 10,000 GPUs. Training LLMs at this scale brings unprecedented challenges to training efficiency and stability. We take a full-stack approach that co-designs the algorithmic and system components across model block and optimizer design, computation and communication overlapping, operator optimization, data pipeline, and network performance tuning. Maintaining high efficiency throughout the training process (i.e., stability) is an important consideration in production given the long extent of LLM training jobs. Many hard stability issues only emerge at large scale, and in-depth observability is the key to address them. We develop a set of diagnosis tools to monitor system components and events deep in the stack, identify root causes, and derive effective techniques to achieve fault tolerance and mitigate stragglers. MegaScale achieves 55.2% Model FLOPs Utilization (MFU) when training a 175B LLM model on 12,288 GPUs, improving the MFU by 1.34x compared to Megatron-LM. We share our operational experience in identifying and fixing failures and stragglers. We hope by articulating the problems and sharing our experience from a systems perspective, this work can inspire future LLM systems research.

In real world software development, improper or missing exception handling can severely impact the robustness and reliability of code. Exception handling mechanisms require developers to detect, capture, and manage exceptions according to high standards, but many developers struggle with these tasks, leading to fragile code. This problem is particularly evident in open-source projects and impacts the overall quality of the software ecosystem. To address this challenge, we explore the use of large language models (LLMs) to improve exception handling in code. Through extensive analysis, we identify three key issues: Insensitive Detection of Fragile Code, Inaccurate Capture of Exception Block, and Distorted Handling Solution. These problems are widespread across real world repositories, suggesting that robust exception handling practices are often overlooked or mishandled. In response, we propose Seeker, a multi-agent framework inspired by expert developer strategies for exception handling. Seeker uses agents: Scanner, Detector, Predator, Ranker, and Handler to assist LLMs in detecting, capturing, and resolving exceptions more effectively. Our work is the first systematic study on leveraging LLMs to enhance exception handling practices in real development scenarios, providing valuable insights for future improvements in code reliability.

Differentiable matching layers and residual connection paradigms, often implemented via entropy-regularized Optimal Transport (OT), serve as critical mechanisms in structural prediction and architectural scaling. However, recovering discrete permutations or maintaining identity mappings via annealing εto 0 is notoriously unstable. In this work, we identify a fundamental mechanism for this failure: Premature Mode Collapse. By analyzing the non-normal dynamics of the Sinkhorn fixed-point map, we reveal a theoretical thermodynamic speed limit: standard exponential cooling outpaces the contraction rate of the inference operator, which degrades as O(1/ε). To address this, we propose Efficient Piecewise Hybrid Adaptive Stability Control (EPH-ASC), an adaptive scheduling algorithm that monitors the stability of the inference process. We demonstrate that EPH-ASC is essential for stabilizing Manifold-Constrained Hyper-Connections (mHC) during large-scale training on the FineWeb-Edu dataset, effectively preventing late-stage gradient explosions by enforcing a linear stability law.

Although Large Language Models (LLMs) are becoming increasingly powerful, they still exhibit significant but subtle weaknesses, such as mistakes in instruction-following or coding tasks. As these unexpected errors could lead to severe consequences in practical deployments, it is crucial to investigate the limitations within LLMs systematically. Traditional benchmarking approaches cannot thoroughly pinpoint specific model deficiencies, while manual inspections are costly and not scalable. In this paper, we introduce a unified framework, AutoDetect, to automatically expose weaknesses in LLMs across various tasks. Inspired by the educational assessment process that measures students' learning outcomes, AutoDetect consists of three LLM-powered agents: Examiner, Questioner, and Assessor. The collaboration among these three agents is designed to realize comprehensive and in-depth weakness identification. Our framework demonstrates significant success in uncovering flaws, with an identification success rate exceeding 30% in prominent models such as ChatGPT and Claude. More importantly, these identified weaknesses can guide specific model improvements, proving more effective than untargeted data augmentation methods like Self-Instruct. Our approach has led to substantial enhancements in popular LLMs, including the Llama series and Mistral-7b, boosting their performance by over 10% across several benchmarks. Code and data are publicly available at https://github.com/thu-coai/AutoDetect.

Large language models (LLMs) can call tools effectively, yet they remain brittle in multi-turn execution: following a tool call error, smaller models often degenerate into repetitive invalid re-invocations, failing to interpret error feedback and self-correct. This brittleness hinders reliable real-world deployment, where the execution errors are inherently inevitable during tool interaction procedures. We identify a key limitation of current approaches: standard reinforcement learning (RL) treats errors as sparse negative rewards, providing no guidance on how to recover, while pre-collected synthetic error-correction datasets suffer from distribution mismatch with the model's on-policy error modes. To bridge this gap, we propose Fission-GRPO, a framework that converts execution errors into corrective supervision within the RL training loop. Our core mechanism fissions each failed trajectory into a new training instance by augmenting it with diagnostic feedback from a finetuned Error Simulator, then resampling recovery rollouts on-policy. This enables the model to learn from the precise errors it makes during exploration, rather than from static, pre-collected error cases. On the BFCL v4 Multi-Turn, Fission-GRPO improves the error recovery rate of Qwen3-8B by 5.7% absolute, crucially, yielding a 4% overall accuracy gain (42.75% to 46.75%) over GRPO and outperforming specialized tool-use agents.

Software specifications are essential for ensuring the reliability of software systems. Existing specification extraction approaches, however, suffer from limited generalizability and require manual efforts. The recent emergence of Large Language Models (LLMs), which have been successfully applied to numerous software engineering tasks, offers a promising avenue for automating this process. In this paper, we conduct the first empirical study to evaluate the capabilities of LLMs for generating software specifications from software comments or documentation. We evaluate LLMs' performance with Few Shot Learning (FSL), enabling LLMs to generalize from a small number of examples, as well as different prompt construction strategies, and compare the performance of LLMs with traditional approaches. Additionally, we conduct a comparative diagnosis of the failure cases from both LLMs and traditional methods, identifying their unique strengths and weaknesses. Lastly, we conduct extensive experiments on 15 state of the art LLMs, evaluating their performance and cost effectiveness for generating software specifications. Our results show that with FSL, LLMs outperform traditional methods (by 5.6%), and more sophisticated prompt construction strategies can further enlarge this performance gap (up to 5.1 to 10.0%). Yet, LLMs suffer from their unique challenges, such as ineffective prompts and the lack of domain knowledge, which together account for 53 to 60% of LLM unique failures. The strong performance of open source models (e.g., StarCoder) makes closed source models (e.g., GPT 3 Davinci) less desirable due to size and cost. Our study offers valuable insights for future research to improve specification generation.

Large language models are being widely used across industries to generate content that contributes directly to key performance metrics, such as conversion rates. Pretrained models, however, often fall short when it comes to aligning with human preferences or optimizing for business objectives. As a result, fine-tuning with good-quality labeled data is essential to guide models to generate content that achieves better results. Controlled experiments, like A/B tests, can provide such data, but they are often expensive and come with significant engineering and logistical challenges. Meanwhile, companies have access to a vast amount of historical (observational) data that remains underutilized. In this work, we study the challenges and opportunities of fine-tuning LLMs using observational data. We show that while observational outcomes can provide valuable supervision, directly fine-tuning models on such data can lead them to learn spurious correlations. We present empirical evidence of this issue using various real-world datasets and propose DeconfoundLM, a method that explicitly removes the effect of known confounders from reward signals. Using simulation experiments, we demonstrate that DeconfoundLM improves the recovery of causal relationships and mitigates failure modes found in fine-tuning methods that ignore or naively incorporate confounding variables. Our findings highlight that while observational data presents risks, with the right causal corrections, it can be a powerful source of signal for LLM alignment. Please refer to the project page for code and related resources.

Large Language Models (LLMs) can comply with harmful instructions, raising serious safety concerns despite their impressive capabilities. Recent work has leveraged probing-based approaches to study the separability of malicious and benign inputs in LLMs' internal representations, and researchers have proposed using such probing methods for safety detection. We systematically re-examine this paradigm. Motivated by poor out-of-distribution performance, we hypothesize that probes learn superficial patterns rather than semantic harmfulness. Through controlled experiments, we confirm this hypothesis and identify the specific patterns learned: instructional patterns and trigger words. Our investigation follows a systematic approach, progressing from demonstrating comparable performance of simple n-gram methods, to controlled experiments with semantically cleaned datasets, to detailed analysis of pattern dependencies. These results reveal a false sense of security around current probing-based approaches and highlight the need to redesign both models and evaluation protocols, for which we provide further discussions in the hope of suggesting responsible further research in this direction. We have open-sourced the project at https://github.com/WangCheng0116/Why-Probe-Fails.

With the advent of Transformers, large language models (LLMs) have saturated well-known NLP benchmarks and leaderboards with high aggregate performance. However, many times these models systematically fail on tail data or rare groups not obvious in aggregate evaluation. Identifying such problematic data groups is even more challenging when there are no explicit labels (e.g., ethnicity, gender, etc.) and further compounded for NLP datasets due to the lack of visual features to characterize failure modes (e.g., Asian males, animals indoors, waterbirds on land, etc.). This paper introduces an interactive Systematic Error Analysis and Labeling (\seal) tool that uses a two-step approach to first identify high error slices of data and then, in the second step, introduce methods to give human-understandable semantics to those underperforming slices. We explore a variety of methods for coming up with coherent semantics for the error groups using language models for semantic labeling and a text-to-image model for generating visual features. SEAL toolkit and demo screencast is available at https://huggingface.co/spaces/nazneen/seal.

Text-guided diffusion models (TDMs) are widely applied but can fail unexpectedly. Common failures include: (i) natural-looking text prompts generating images with the wrong content, or (ii) different random samples of the latent variables that generate vastly different, and even unrelated, outputs despite being conditioned on the same text prompt. In this work, we aim to study and understand the failure modes of TDMs in more detail. To achieve this, we propose SAGE, the first adversarial search method on TDMs that systematically explores the discrete prompt space and the high-dimensional latent space, to automatically discover undesirable behaviors and failure cases in image generation. We use image classifiers as surrogate loss functions during searching, and employ human inspections to validate the identified failures. For the first time, our method enables efficient exploration of both the discrete and intricate human language space and the challenging latent space, overcoming the gradient vanishing problem. Then, we demonstrate the effectiveness of SAGE on five widely used generative models and reveal four typical failure modes: (1) We find a variety of natural text prompts that generate images failing to capture the semantics of input texts. We further discuss the underlying causes and potential solutions based on the results. (2) We find regions in the latent space that lead to distorted images independent of the text prompt, suggesting that parts of the latent space are not well-structured. (3) We also find latent samples that result in natural-looking images unrelated to the text prompt, implying a possible misalignment between the latent and prompt spaces. (4) By appending a single adversarial token embedding to any input prompts, we can generate a variety of specified target objects. Project page: https://sage-diffusion.github.io/

Large language models have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present AlphaResearch, an autonomous research agent designed to discover new algorithms on open-ended problems. To synergize the feasibility and innovation of the discovery process, we construct a novel dual research environment by combining the execution-based verify and simulated real-world peer review environment. AlphaResearch discovers new algorithm by iteratively running the following steps: (1) propose new ideas (2) verify the ideas in the dual research environment (3) optimize the research proposals for better performance. To promote a transparent evaluation process, we construct AlphaResearchComp, a new evaluation benchmark that includes an eight open-ended algorithmic problems competition, with each problem carefully curated and verified through executable pipelines, objective metrics, and reproducibility checks. AlphaResearch gets a 2/8 win rate in head-to-head comparison with human researchers, demonstrate the possibility of accelerating algorithm discovery with LLMs. Notably, the algorithm discovered by AlphaResearch on the ``packing circles'' problem achieves the best-of-known performance, surpassing the results of human researchers and strong baselines from recent work (e.g., AlphaEvolve). Additionally, we conduct a comprehensive analysis of the remaining challenges of the 6/8 failure cases, providing valuable insights for future research.

Failure attribution in multi-agent systems -- pinpointing the exact step where a decisive error occurs -- is a critical yet unsolved challenge. Current methods treat this as a pattern recognition task over long conversation logs, leading to critically low step-level accuracy (below 17\%), which renders them impractical for debugging complex systems. Their core weakness is a fundamental inability to perform robust counterfactual reasoning: to determine if correcting a single action would have actually averted the task failure. To bridge this counterfactual inference gap, we introduce Abduct-Act-Predict (A2P) Scaffolding, a novel agent framework that transforms failure attribution from pattern recognition into a structured causal inference task. A2P explicitly guides a large language model through a formal three-step reasoning process within a single inference pass: (1) Abduction, to infer the hidden root causes behind an agent's actions; (2) Action, to define a minimal corrective intervention; and (3) Prediction, to simulate the subsequent trajectory and verify if the intervention resolves the failure. This structured approach leverages the holistic context of the entire conversation while imposing a rigorous causal logic on the model's analysis. Our extensive experiments on the Who\&When benchmark demonstrate its efficacy. On the Algorithm-Generated dataset, A2P achieves 47.46\% step-level accuracy, a 2.85times improvement over the 16.67\% of the baseline. On the more complex Hand-Crafted dataset, it achieves 29.31\% step accuracy, a 2.43times improvement over the baseline's 12.07\%. By reframing the problem through a causal lens, A2P Scaffolding provides a robust, verifiable, and significantly more accurate solution for automated failure attribution. Ours code are released at https://github.com/ResearAI/A2P.

In real world software development, improper or missing exception handling can severely impact the robustness and reliability of code. Exception handling mechanisms require developers to detect, capture, and manage exceptions according to high standards, but many developers struggle with these tasks, leading to fragile code. This problem is particularly evident in open source projects and impacts the overall quality of the software ecosystem. To address this challenge, we explore the use of large language models (LLMs) to improve exception handling in code. Through extensive analysis, we identify three key issues: Insensitive Detection of Fragile Code, Inaccurate Capture of Exception Types, and Distorted Handling Solutions. These problems are widespread across real world repositories, suggesting that robust exception handling practices are often overlooked or mishandled. In response, we propose Seeker, a multi agent framework inspired by expert developer strategies for exception handling. Seeker uses agents: Scanner, Detector, Predator, Ranker, and Handler to assist LLMs in detecting, capturing, and resolving exceptions more effectively. Our work is the first systematic study on leveraging LLMs to enhance exception handling practices, providing valuable insights for future improvements in code reliability.

Large Language Models (LLMs) have shown tremendous potential as agents, excelling at tasks that require multiple rounds of reasoning and interactions. Rejection Sampling Fine-Tuning (RFT) has emerged as an effective method for finetuning LLMs as agents: it first imitates expert-generated successful trajectories and further improves agentic skills through iterative fine-tuning on successful, self-generated trajectories. However, since the expert (e.g., GPT-4) succeeds primarily on simpler subtasks and RFT inherently favors simpler scenarios, many complex subtasks remain unsolved and persistently out-of-distribution (OOD). Upon investigating these challenging subtasks, we discovered that previously failed expert trajectories can often provide valuable guidance, e.g., plans and key actions, that can significantly improve agent exploration efficiency and acquisition of critical skills. Motivated by these observations, we propose Exploring Expert Failures (EEF), which identifies beneficial actions from failed expert trajectories and integrates them into the training dataset. Potentially harmful actions are meticulously excluded to prevent contamination of the model learning process. By leveraging the beneficial actions in expert failures, EEF successfully solves some previously unsolvable subtasks and improves agent tuning performance. Remarkably, our approach achieved a 62\% win rate in WebShop, outperforming RFT (53. 6\%) and GPT-4 (35. 6\%), and to the best of our knowledge, setting a new state-of-the-art as the first method to surpass a score of 0.81 in WebShop and exceed 81 in SciWorld.

Large Language Models (LLMs) changed the way we design and interact with software systems. Their ability to process and extract information from text has drastically improved productivity in a number of routine tasks. Developers that want to include these models in their software stack, however, face a dreadful challenge: debugging LLMs' inconsistent behavior across minor variations of the prompt. We therefore introduce two metrics for classification tasks, namely sensitivity and consistency, which are complementary to task performance. First, sensitivity measures changes of predictions across rephrasings of the prompt, and does not require access to ground truth labels. Instead, consistency measures how predictions vary across rephrasings for elements of the same class. We perform an empirical comparison of these metrics on text classification tasks, using them as guideline for understanding failure modes of the LLM. Our hope is that sensitivity and consistency will be helpful to guide prompt engineering and obtain LLMs that balance robustness with performance.

Retrieval-Augmented Generation (RAG) has emerged as a common paradigm to use Large Language Models (LLMs) alongside private and up-to-date knowledge bases. In this work, we address the challenges of using LLM-as-a-Judge when evaluating grounded answers generated by RAG systems. To assess the calibration and discrimination capabilities of judge models, we identify 7 generator failure modes and introduce GroUSE (Grounded QA Unitary Scoring of Evaluators), a meta-evaluation benchmark of 144 unit tests. This benchmark reveals that existing automated RAG evaluation frameworks often overlook important failure modes, even when using GPT-4 as a judge. To improve on the current design of automated RAG evaluation frameworks, we propose a novel pipeline and find that while closed models perform well on GroUSE, state-of-the-art open-source judges do not generalize to our proposed criteria, despite strong correlation with GPT-4's judgement. Our findings suggest that correlation with GPT-4 is an incomplete proxy for the practical performance of judge models and should be supplemented with evaluations on unit tests for precise failure mode detection. We further show that finetuning Llama-3 on GPT-4's reasoning traces significantly boosts its evaluation capabilities, improving upon both correlation with GPT-4's evaluations and calibration on reference situations.

Models of many engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial differences between the numerical solutions of the model and the state of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is increasing interest in reducing model errors, particularly by leveraging the rapidly growing observational data to understand their physics and sources. Here, we introduce a framework named MEDIDA: Model Error Discovery with Interpretability and Data Assimilation. MEDIDA only requires a working numerical solver of the model and a small number of noise-free or noisy sporadic observations of the system. In MEDIDA, first the model error is estimated from differences between the observed states and model-predicted states (the latter are obtained from a number of one-time-step numerical integrations from the previous observed states). If observations are noisy, a data assimilation (DA) technique such as ensemble Kalman filter (EnKF) is employed to provide the analysis state of the system, which is then used to estimate the model error. Finally, an equation-discovery technique, here the relevance vector machine (RVM), a sparsity-promoting Bayesian method, is used to identify an interpretable, parsimonious, and closed-form representation of the model error. Using the chaotic Kuramoto-Sivashinsky (KS) system as the test case, we demonstrate the excellent performance of MEDIDA in discovering different types of structural/parametric model errors, representing different types of missing physics, using noise-free and noisy observations.

In this paper, we propose REASON, a novel framework that enables the automatic discovery of both intra-level (i.e., within-network) and inter-level (i.e., across-network) causal relationships for root cause localization. REASON consists of Topological Causal Discovery and Individual Causal Discovery. The Topological Causal Discovery component aims to model the fault propagation in order to trace back to the root causes. To achieve this, we propose novel hierarchical graph neural networks to construct interdependent causal networks by modeling both intra-level and inter-level non-linear causal relations. Based on the learned interdependent causal networks, we then leverage random walks with restarts to model the network propagation of a system fault. The Individual Causal Discovery component focuses on capturing abrupt change patterns of a single system entity. This component examines the temporal patterns of each entity's metric data (i.e., time series), and estimates its likelihood of being a root cause based on the Extreme Value theory. Combining the topological and individual causal scores, the top K system entities are identified as root causes. Extensive experiments on three real-world datasets with case studies demonstrate the effectiveness and superiority of the proposed framework.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

Large Language Models (LLMs) have presented impressive performance across several transformative tasks. However, it is non-trivial to efficiently utilize large-scale cluster resources to develop LLMs, often riddled with numerous challenges such as frequent hardware failures, intricate parallelization strategies, and imbalanced resource utilization. In this paper, we present an in-depth characterization study of a six-month LLM development workload trace collected from our GPU datacenter Acme. Specifically, we investigate discrepancies between LLMs and prior task-specific Deep Learning (DL) workloads, explore resource utilization patterns, and identify the impact of various job failures. Our analysis summarizes hurdles we encountered and uncovers potential opportunities to optimize systems tailored for LLMs. Furthermore, we introduce our system efforts: (1) fault-tolerant pretraining, which enhances fault tolerance through LLM-involved failure diagnosis and automatic recovery. (2) decoupled scheduling for evaluation, which achieves timely performance feedback via trial decomposition and scheduling optimization.

The performance of large language models (LLMs) on existing reasoning benchmarks has significantly improved over the past years. In response, we present JEEBench, a considerably more challenging benchmark dataset for evaluating the problem solving abilities of LLMs. We curate 515 challenging pre-engineering mathematics, physics and chemistry problems from the highly competitive IIT JEE-Advanced exam. Long-horizon reasoning on top of deep in-domain knowledge is essential for solving problems in this benchmark. Our evaluation on various open-source and proprietary models reveals that the highest performance, even after using techniques like self-consistency, self-refinement and chain-of-thought prompting, is less than 40%. The typical failure modes of GPT-4, the best model, are errors in algebraic manipulation, difficulty in grounding abstract concepts into mathematical equations accurately and failure in retrieving relevant domain-specific concepts. We also observe that by mere prompting, GPT-4 is unable to assess risk introduced by negative marking for incorrect answers. For this, we develop a post-hoc confidence-thresholding method over self-consistency, which enables effective response selection. We hope that our challenging benchmark will guide future re-search in problem-solving using LLMs.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

Classification on long-tailed distributed data is a challenging problem, which suffers from serious class-imbalance and accordingly unpromising performance especially on tail classes. Recently, the ensembling based methods achieve the state-of-the-art performance and show great potential. However, there are two limitations for current methods. First, their predictions are not trustworthy for failure-sensitive applications. This is especially harmful for the tail classes where the wrong predictions is basically frequent. Second, they assign unified numbers of experts to all samples, which is redundant for easy samples with excessive computational cost. To address these issues, we propose a Trustworthy Long-tailed Classification (TLC) method to jointly conduct classification and uncertainty estimation to identify hard samples in a multi-expert framework. Our TLC obtains the evidence-based uncertainty (EvU) and evidence for each expert, and then combines these uncertainties and evidences under the Dempster-Shafer Evidence Theory (DST). Moreover, we propose a dynamic expert engagement to reduce the number of engaged experts for easy samples and achieve efficiency while maintaining promising performances. Finally, we conduct comprehensive experiments on the tasks of classification, tail detection, OOD detection and failure prediction. The experimental results show that the proposed TLC outperforms existing methods and is trustworthy with reliable uncertainty.

We construct evaluation tasks where extending the reasoning length of Large Reasoning Models (LRMs) deteriorates performance, exhibiting an inverse scaling relationship between test-time compute and accuracy. Our evaluation tasks span four categories: simple counting tasks with distractors, regression tasks with spurious features, deduction tasks with constraint tracking, and advanced AI risks. We identify five distinct failure modes when models reason for longer: 1) Claude models become increasingly distracted by irrelevant information; 2) OpenAI o-series models resist distractors but overfit to problem framings; 3) models shift from reasonable priors to spurious correlations; 4) all models show difficulties in maintaining focus on complex deductive tasks; and 5) extended reasoning may amplify concerning behaviors, with Claude Sonnet 4 showing increased expressions of self-preservation. These findings suggest that while test-time compute scaling remains promising for improving model capabilities, it may inadvertently reinforce problematic reasoning patterns. Our results demonstrate the importance of evaluating models across diverse reasoning lengths to identify and address these failure modes in LRMs.

As software systems grow increasingly intricate, Artificial Intelligence for IT Operations (AIOps) methods have been widely used in software system failure management to ensure the high availability and reliability of large-scale distributed software systems. However, these methods still face several challenges, such as lack of cross-platform generality and cross-task flexibility. Fortunately, recent advancements in large language models (LLMs) can significantly address these challenges, and many approaches have already been proposed to explore this field. However, there is currently no comprehensive survey that discusses the differences between LLM-based AIOps and traditional AIOps methods. Therefore, this paper presents a comprehensive survey of AIOps technology for failure management in the LLM era. It includes a detailed definition of AIOps tasks for failure management, the data sources for AIOps, and the LLM-based approaches adopted for AIOps. Additionally, this survey explores the AIOps subtasks, the specific LLM-based approaches suitable for different AIOps subtasks, and the challenges and future directions of the domain, aiming to further its development and application.

Despite the success of physics-informed neural networks (PINNs) in approximating partial differential equations (PDEs), PINNs can sometimes fail to converge to the correct solution in problems involving complicated PDEs. This is reflected in several recent studies on characterizing the "failure modes" of PINNs, although a thorough understanding of the connection between PINN failure modes and sampling strategies is missing. In this paper, we provide a novel perspective of failure modes of PINNs by hypothesizing that training PINNs relies on successful "propagation" of solution from initial and/or boundary condition points to interior points. We show that PINNs with poor sampling strategies can get stuck at trivial solutions if there are propagation failures, characterized by highly imbalanced PDE residual fields. To mitigate propagation failures, we propose a novel Retain-Resample-Release sampling (R3) algorithm that can incrementally accumulate collocation points in regions of high PDE residuals with little to no computational overhead. We provide an extension of R3 sampling to respect the principle of causality while solving time-dependent PDEs. We theoretically analyze the behavior of R3 sampling and empirically demonstrate its efficacy and efficiency in comparison with baselines on a variety of PDE problems.

Proactive interventions by LLM critic models are often assumed to improve reliability, yet their effects at deployment time are poorly understood. We show that a binary LLM critic with strong offline accuracy (AUROC 0.94) can nevertheless cause severe performance degradation, inducing a 26 percentage point (pp) collapse on one model while affecting another by near zero pp. This variability demonstrates that LLM critic accuracy alone is insufficient to determine whether intervention is safe. We identify a disruption-recovery tradeoff: interventions may recover failing trajectories but also disrupt trajectories that would have succeeded. Based on this insight, we propose a pre-deployment test that uses a small pilot of 50 tasks to estimate whether intervention is likely to help or harm, without requiring full deployment. Across benchmarks, the test correctly anticipates outcomes: intervention degrades performance on high-success tasks (0 to -26 pp), while yielding a modest improvement on the high-failure ALFWorld benchmark (+2.8 pp, p=0.014). The primary value of our framework is therefore identifying when not to intervene, preventing severe regressions before deployment.

The ability of language models in RAG systems to selectively refuse to answer based on flawed context is critical for safety, yet remains a significant failure point. Our large-scale study reveals that even frontier models struggle in this setting, with refusal accuracy dropping below 50% on multi-document tasks, while exhibiting either dangerous overconfidence or overcaution. Static benchmarks fail to reliably evaluate this capability, as models exploit dataset-specific artifacts and memorize test instances. We introduce RefusalBench, a generative methodology that programmatically creates diagnostic test cases through controlled linguistic perturbation. Our framework employs 176 distinct perturbation strategies across six categories of informational uncertainty and three intensity levels. Evaluation of over 30 models uncovers systematic failure patterns: refusal comprises separable detection and categorization skills, and neither scale nor extended reasoning improves performance. We find that selective refusal is a trainable, alignment-sensitive capability, offering a clear path for improvement. We release two benchmarks -- RefusalBench-NQ (single document) and RefusalBench-GaRAGe (multi-document) -- and our complete generation framework to enable continued, dynamic evaluation of this critical capability.

Safe manipulation in unstructured environments for service robots is a challenging problem. A failure detection system is needed to monitor and detect unintended outcomes. We propose FINO-Net, a novel multimodal sensor fusion based deep neural network to detect and identify manipulation failures. We also introduce a multimodal dataset, containing 229 real-world manipulation data recorded with a Baxter robot. Our network combines RGB, depth and audio readings to effectively detect and classify failures. Results indicate that fusing RGB with depth and audio modalities significantly improves the performance. FINO-Net achieves 98.60% detection and 87.31% classification accuracy on our novel dataset. Code and data are publicly available at https://github.com/ardai/fino-net.

Large language model (LLM)-based agents increasingly rely on tool use to complete real-world tasks. While existing works evaluate the LLMs' tool use capability, they largely focus on the final answers yet overlook the detailed tool usage trajectory, i.e., whether tools are selected, parameterized, and ordered correctly. We introduce TRAJECT-Bench, a trajectory-aware benchmark to comprehensively evaluate LLMs' tool use capability through diverse tasks with fine-grained evaluation metrics. TRAJECT-Bench pairs high-fidelity, executable tools across practical domains with tasks grounded in production-style APIs, and synthesizes trajectories that vary in breadth (parallel calls) and depth (interdependent chains). Besides final accuracy, TRAJECT-Bench also reports trajectory-level diagnostics, including tool selection and argument correctness, and dependency/order satisfaction. Analyses reveal failure modes such as similar tool confusion and parameter-blind selection, and scaling behavior with tool diversity and trajectory length where the bottleneck of transiting from short to mid-length trajectories is revealed, offering actionable guidance for LLMs' tool use.

Frontier model progress is often measured by academic benchmarks, which offer a limited view of performance in real-world professional contexts. Existing evaluations often fail to assess open-ended, economically consequential tasks in high-stakes domains like Legal and Finance, where practical returns are paramount. To address this, we introduce Professional Reasoning Bench (PRBench), a realistic, open-ended, and difficult benchmark of real-world problems in Finance and Law. We open-source its 1,100 expert-authored tasks and 19,356 expert-curated criteria, making it, to our knowledge, the largest public, rubric-based benchmark for both legal and finance domains. We recruit 182 qualified professionals, holding JDs, CFAs, or 6+ years of experience, who contributed tasks inspired by their actual workflows. This process yields significant diversity, with tasks spanning 114 countries and 47 US jurisdictions. Our expert-curated rubrics are validated through a rigorous quality pipeline, including independent expert validation. Subsequent evaluation of 20 leading models reveals substantial room for improvement, with top scores of only 0.39 (Finance) and 0.37 (Legal) on our Hard subsets. We further catalog associated economic impacts of the prompts and analyze performance using human-annotated rubric categories. Our analysis shows that models with similar overall scores can diverge significantly on specific capabilities. Common failure modes include inaccurate judgments, a lack of process transparency and incomplete reasoning, highlighting critical gaps in their reliability for professional adoption.

Ensuring the reliability and availability of complex networked services demands effective root cause analysis (RCA) across cloud environments, data centers, and on-premises networks. Traditional RCA methods, which involve manual inspection of data sources such as logs and telemetry data, are often time-consuming and challenging for on-call engineers. While statistical inference methods have been employed to estimate the causality of network events, these approaches alone are similarly challenging and suffer from a lack of interpretability, making it difficult for engineers to understand the predictions made by black-box models. In this paper, we present RCACopilot, an advanced on-call system that combines statistical tests and large language model (LLM) reasoning to automate RCA across various network environments. RCACopilot gathers and synthesizes critical runtime diagnostic information, predicts the root cause of incidents, provides a clear explanatory narrative, and offers targeted action steps for engineers to resolve the issues. By utilizing LLM reasoning techniques and retrieval, RCACopilot delivers accurate and practical support for operators.

Program errors can occur in any type of programming, and can manifest in a variety of ways, such as unexpected output, crashes, or performance issues. And program error diagnosis can often be too abstract or technical for developers to understand, especially for beginners. The goal of this paper is to present a novel machine-learning approach for Multi-task Program Error Repair and Explanatory Diagnosis (mPRED). A pre-trained language model is used to encode the source code, and a downstream model is specifically designed to identify and repair errors. Programs and test cases will be augmented and optimized from several perspectives. Additionally, our approach incorporates a "chain of thoughts" method, which enables the models to produce intermediate reasoning explanations before providing the final correction. To aid in visualizing and analyzing the program structure, we use a graph neural network for program structure visualization. Overall, our approach offers a promising approach for repairing program errors across different programming languages and providing helpful explanations to programmers.

Failure-inducing inputs play a crucial role in diagnosing and analyzing software bugs. Bug reports typically contain these inputs, which developers extract to facilitate debugging. Since bug reports are written in natural language, prior research has leveraged various Natural Language Processing (NLP) techniques for automated input extraction. With the advent of Large Language Models (LLMs), an important research question arises: how effectively can generative LLMs extract failure-inducing inputs from bug reports? In this paper, we propose LLPut, a technique to empirically evaluate the performance of three open-source generative LLMs -- LLaMA, Qwen, and Qwen-Coder -- in extracting relevant inputs from bug reports. We conduct an experimental evaluation on a dataset of 206 bug reports to assess the accuracy and effectiveness of these models. Our findings provide insights into the capabilities and limitations of generative LLMs in automated bug diagnosis.

Large language models (LLMs) have demonstrated remarkable capabilities in natural language understanding and task generalization. However, their application to structured data analysis remains fragile due to inconsistencies in schema interpretation, misalignment between user intent and model output, and limited mechanisms for self-correction when failures occur. This paper introduces the STROT Framework (Structured Task Reasoning and Output Transformation), a method for structured prompting and feedback-driven transformation logic generation aimed at improving the reliability and semantic alignment of LLM-based analytical workflows. STROT begins with lightweight schema introspection and sample-based field classification, enabling dynamic context construction that captures both the structure and statistical profile of the input data. This contextual information is embedded in structured prompts that guide the model toward generating task-specific, interpretable outputs. To address common failure modes in complex queries, STROT incorporates a refinement mechanism in which the model iteratively revises its outputs based on execution feedback and validation signals. Unlike conventional approaches that rely on static prompts or single-shot inference, STROT treats the LLM as a reasoning agent embedded within a controlled analysis loop -- capable of adjusting its output trajectory through planning and correction. The result is a robust and reproducible framework for reasoning over structured data with LLMs, applicable to diverse data exploration and analysis tasks where interpretability, stability, and correctness are essential.

In the rapidly evolving landscape of artificial intelligence, multi-modal large language models are emerging as a significant area of interest. These models, which combine various forms of data input, are becoming increasingly popular. However, understanding their internal mechanisms remains a complex task. Numerous advancements have been made in the field of explainability tools and mechanisms, yet there is still much to explore. In this work, we present a novel interactive application aimed towards understanding the internal mechanisms of large vision-language models. Our interface is designed to enhance the interpretability of the image patches, which are instrumental in generating an answer, and assess the efficacy of the language model in grounding its output in the image. With our application, a user can systematically investigate the model and uncover system limitations, paving the way for enhancements in system capabilities. Finally, we present a case study of how our application can aid in understanding failure mechanisms in a popular large multi-modal model: LLaVA.

Reinforcement Learning with Verifiable Rewards (RLVR) has substantially improved the reasoning abilities of large language models (LLMs), yet training often stalls as problems become saturated. We identify the core challenge as the poor accessibility of informative failures: learning signals exist but are rarely encountered during standard rollouts. To address this, we propose failure-prefix conditioning, a simple and effective method for learning from saturated problems. Rather than starting from the original question, our approach reallocates exploration by conditioning training on prefixes derived from rare incorrect reasoning trajectories, thereby exposing the model to failure-prone states. We observe that failure-prefix conditioning yields performance gains matching those of training on medium-difficulty problems, while preserving token efficiency. Furthermore, we analyze the model's robustness, finding that our method reduces performance degradation under misleading failure prefixes, albeit with a mild trade-off in adherence to correct early reasoning. Finally, we demonstrate that an iterative approach, which refreshes failure prefixes during training, unlocks additional gains after performance plateaus. Overall, our results suggest that failure-prefix conditioning offers an effective pathway to extend RLVR training on saturated problems.

Multimodal large language models (MLLMs) are widely used in vision-language reasoning tasks. However, their vulnerability to adversarial prompts remains a serious concern, as safety mechanisms often fail to prevent the generation of harmful outputs. Although recent jailbreak strategies report high success rates, many responses classified as "successful" are actually benign, vague, or unrelated to the intended malicious goal. This mismatch suggests that current evaluation standards may overestimate the effectiveness of such attacks. To address this issue, we introduce a four-axis evaluation framework that considers input on-topicness, input out-of-distribution (OOD) intensity, output harmfulness, and output refusal rate. This framework identifies truly effective jailbreaks. In a substantial empirical study, we reveal a structural trade-off: highly on-topic prompts are frequently blocked by safety filters, whereas those that are too OOD often evade detection but fail to produce harmful content. However, prompts that balance relevance and novelty are more likely to evade filters and trigger dangerous output. Building on this insight, we develop a recursive rewriting strategy called Balanced Structural Decomposition (BSD). The approach restructures malicious prompts into semantically aligned sub-tasks, while introducing subtle OOD signals and visual cues that make the inputs harder to detect. BSD was tested across 13 commercial and open-source MLLMs, where it consistently led to higher attack success rates, more harmful outputs, and fewer refusals. Compared to previous methods, it improves success rates by 67% and harmfulness by 21%, revealing a previously underappreciated weakness in current multimodal safety systems.

The maintenance risks of open source software (OSS) projects pose significant threats to the quality, security, and resilience of modern software supply chains. While prior research has proposed diverse approaches for predicting OSS maintenance risk -- leveraging signals ranging from surface features (e.g., stars, commits) to social network analyses and behavioral patterns -- existing methods often suffer from ambiguous operational definitions, limited interpretability, and datasets of insufficient scale or generalizability. In this work, we introduce ``maintenance cessation'', grounded in both explicit archival status and rigorous semantic analysis of project documentation. Building on this foundation, we curate a large-scale, longitudinal dataset of 115,466 GitHub repositories -- encompassing 57,733 confirmed cessation events -- complemented by comprehensive, timeline-based behavioral features. We propose an integrated, multi-perspective feature framework for predicting maintenance cessation, systematically combining user-centric features, maintainer-centric features and project evolution features. AFT survival analysis demonstrates a high C-index (0.846), substantially outperforming models relying only on surface features. Feature ablation and SHAP analysis further confirm the effectiveness and interpretability of our approach. Finally, we demonstrate real-world applicability by deploying a GBSA classifier in the openEuler ecosystem for proactive package risk screening. Our work establishes a scalable, interpretable foundation for maintenance-risk prediction, enabling reproducible risk management across large-scale open source ecosystems.

Training large-scale language models is increasingly critical in various domains, but it is hindered by frequent failures, leading to significant time and economic costs. Current failure recovery methods in cloud-based settings inadequately address the diverse and complex scenarios that arise, focusing narrowly on erasing downtime for individual tasks without considering the overall cost impact on a cluster. We introduce Unicron, a workload manager designed for efficient self-healing in large-scale language model training. Unicron optimizes the training process by minimizing failure-related costs across multiple concurrent tasks within a cluster. Its key features include in-band error detection for real-time error identification without extra overhead, a dynamic cost-aware plan generation mechanism for optimal reconfiguration, and an efficient transition strategy to reduce downtime during state changes. Deployed on a 128-GPU distributed cluster, Unicron demonstrates up to a 1.9x improvement in training efficiency over state-of-the-art methods, significantly reducing failure recovery costs and enhancing the reliability of large-scale language model training.

We study the ability of state-of-the art models to answer constraint satisfaction queries for information retrieval (e.g., 'a list of ice cream shops in San Diego'). In the past, such queries were considered to be tasks that could only be solved via web-search or knowledge bases. More recently, large language models (LLMs) have demonstrated initial emergent abilities in this task. However, many current retrieval benchmarks are either saturated or do not measure constraint satisfaction. Motivated by rising concerns around factual incorrectness and hallucinations of LLMs, we present KITAB, a new dataset for measuring constraint satisfaction abilities of language models. KITAB consists of book-related data across more than 600 authors and 13,000 queries, and also offers an associated dynamic data collection and constraint verification approach for acquiring similar test data for other authors. Our extended experiments on GPT4 and GPT3.5 characterize and decouple common failure modes across dimensions such as information popularity, constraint types, and context availability. Results show that in the absence of context, models exhibit severe limitations as measured by irrelevant information, factual errors, and incompleteness, many of which exacerbate as information popularity decreases. While context availability mitigates irrelevant information, it is not helpful for satisfying constraints, identifying fundamental barriers to constraint satisfaction. We open source our contributions to foster further research on improving constraint satisfaction abilities of future models.

Despite strong performance on existing benchmarks, it remains unclear whether large language models can reason over genuinely novel scientific information. Most evaluations score end-to-end RAG pipelines, where reasoning is confounded with retrieval and toolchain choices, and the signal is further contaminated by parametric memorization and open-web volatility. We introduce DeR2, a controlled deep-research sandbox that isolates document-grounded reasoning while preserving core difficulties of deep search: multi-step synthesis, denoising, and evidence-based conclusion making. DeR2 decouples evidence access from reasoning via four regimes--Instruction-only, Concepts (gold concepts without documents), Related-only (only relevant documents), and Full-set (relevant documents plus topically related distractors)--yielding interpretable regime gaps that operationalize retrieval loss vs. reasoning loss and enable fine-grained error attribution. To prevent parametric leakage, we apply a two-phase validation that requires parametric failure without evidence while ensuring oracle-concept solvability. To ensure reproducibility, each instance provides a frozen document library (drawn from 2023-2025 theoretical papers) with expert-annotated concepts and validated rationales. Experiments across a diverse set of state-of-the-art foundation models reveal substantial variation and significant headroom: some models exhibit mode-switch fragility, performing worse with the Full-set than with Instruction-only, while others show structural concept misuse, correctly naming concepts but failing to execute them as procedures.

The safety and alignment of Large Language Models (LLMs) are critical for their responsible deployment. Current evaluation methods predominantly focus on identifying and preventing overtly harmful outputs. However, they often fail to address a more insidious failure mode: models that produce benign-appearing outputs while operating on malicious or deceptive internal reasoning. This vulnerability, often triggered by sophisticated system prompt injections, allows models to bypass conventional safety filters, posing a significant, underexplored risk. To address this gap, we introduce the Deceptive Reasoning Exposure Suite (D-REX), a novel dataset designed to evaluate the discrepancy between a model's internal reasoning process and its final output. D-REX was constructed through a competitive red-teaming exercise where participants crafted adversarial system prompts to induce such deceptive behaviors. Each sample in D-REX contains the adversarial system prompt, an end-user's test query, the model's seemingly innocuous response, and, crucially, the model's internal chain-of-thought, which reveals the underlying malicious intent. Our benchmark facilitates a new, essential evaluation task: the detection of deceptive alignment. We demonstrate that D-REX presents a significant challenge for existing models and safety mechanisms, highlighting the urgent need for new techniques that scrutinize the internal processes of LLMs, not just their final outputs.

Although recent methods have tried to introduce large multimodal models (LMMs) into industrial anomaly detection (IAD), their generalization in the IAD field is far inferior to that for general purposes. We summarize the main reasons for this gap into two aspects. On one hand, general-purpose LMMs lack cognition of defects in the visual modality, thereby failing to sufficiently focus on defect areas. Therefore, we propose to modify the AnyRes structure of the LLaVA model, providing the potential anomalous areas identified by existing IAD models to the LMMs. On the other hand, existing methods mainly focus on identifying defects by learning defect patterns or comparing with normal samples, yet they fall short of understanding the causes of these defects. Considering that the generation of defects is closely related to the manufacturing process, we propose a manufacturing-driven IAD paradigm. An instruction-tuning dataset for IAD (InstructIAD) and a data organization approach for Chain-of-Thought with manufacturing (CoT-M) are designed to leverage the manufacturing process for IAD. Based on the above two modifications, we present Triad, a novel LMM-based method incorporating an expert-guided region-of-interest tokenizer and manufacturing process for industrial anomaly detection. Extensive experiments show that our Triad not only demonstrates competitive performance against current LMMs but also achieves further improved accuracy when equipped with manufacturing processes. Source code, training data, and pre-trained models will be publicly available at https://github.com/tzjtatata/Triad.

Large language models (LLMs) have achieved remarkable progress in code understanding tasks. However, they demonstrate limited performance in vulnerability detection and struggle to distinguish vulnerable code from patched code. We argue that LLMs lack understanding of security specifications -- the expectations about how code should behave to remain safe. When code behavior differs from these expectations, it becomes a potential vulnerability. However, such knowledge is rarely explicit in training data, leaving models unable to reason about security flaws. We propose VulInstruct, a specification-guided approach that systematically extracts security specifications from historical vulnerabilities to detect new ones. VulInstruct constructs a specification knowledge base from two perspectives: (i) General specifications from high-quality patches across projects, capturing fundamental safe behaviors; and (ii) Domain-specific specifications from repeated violations in particular repositories relevant to the target code. VulInstruct retrieves relevant past cases and specifications, enabling LLMs to reason about expected safe behaviors rather than relying on surface patterns. We evaluate VulInstruct under strict criteria requiring both correct predictions and valid reasoning. On PrimeVul, VulInstruct achieves 45.0% F1-score (32.7% improvement) and 37.7% recall (50.8% improvement) compared to baselines, while uniquely detecting 24.3% of vulnerabilities -- 2.4x more than any baseline. In pair-wise evaluation, VulInstruct achieves 32.3% relative improvement. VulInstruct also discovered a previously unknown high-severity vulnerability (CVE-2025-56538) in production code, demonstrating practical value for real-world vulnerability discovery. All code and supplementary materials are available at https://github.com/zhuhaopku/VulInstruct-temp.

The causal capabilities of large language models (LLMs) are a matter of significant debate, with critical implications for the use of LLMs in societally impactful domains such as medicine, science, law, and policy. We conduct a "behavorial" study of LLMs to benchmark their capability in generating causal arguments. Across a wide range of tasks, we find that LLMs can generate text corresponding to correct causal arguments with high probability, surpassing the best-performing existing methods. Algorithms based on GPT-3.5 and 4 outperform existing algorithms on a pairwise causal discovery task (97%, 13 points gain), counterfactual reasoning task (92%, 20 points gain) and event causality (86% accuracy in determining necessary and sufficient causes in vignettes). We perform robustness checks across tasks and show that the capabilities cannot be explained by dataset memorization alone, especially since LLMs generalize to novel datasets that were created after the training cutoff date. That said, LLMs exhibit unpredictable failure modes, and we discuss the kinds of errors that may be improved and what are the fundamental limits of LLM-based answers. Overall, by operating on the text metadata, LLMs bring capabilities so far understood to be restricted to humans, such as using collected knowledge to generate causal graphs or identifying background causal context from natural language. As a result, LLMs may be used by human domain experts to save effort in setting up a causal analysis, one of the biggest impediments to the widespread adoption of causal methods. Given that LLMs ignore the actual data, our results also point to a fruitful research direction of developing algorithms that combine LLMs with existing causal techniques. Code and datasets are available at https://github.com/py-why/pywhy-llm.