Daily Papers

Over the last decade, explainable AI has primarily focused on interpreting individual model predictions, producing post-hoc explanations that relate inputs to outputs under a fixed decision structure. Recent advances in large language models (LLMs) have enabled agentic AI systems whose behaviour unfolds over multi-step trajectories. In these settings, success and failure are determined by sequences of decisions rather than a single output. While useful, it remains unclear how explanation approaches designed for static predictions translate to agentic settings where behaviour emerges over time. In this work, we bridge the gap between static and agentic explainability by comparing attribution-based explanations with trace-based diagnostics across both settings. To make this distinction explicit, we empirically compare attribution-based explanations used in static classification tasks with trace-based diagnostics used in agentic benchmarks (TAU-bench Airline and AssistantBench). Our results show that while attribution methods achieve stable feature rankings in static settings (Spearman ρ= 0.86), they cannot be applied reliably to diagnose execution-level failures in agentic trajectories. In contrast, trace-grounded rubric evaluation for agentic settings consistently localizes behaviour breakdowns and reveals that state tracking inconsistency is 2.7times more prevalent in failed runs and reduces success probability by 49\%. These findings motivate a shift towards trajectory-level explainability for agentic systems when evaluating and diagnosing autonomous AI behaviour. Resources: https://github.com/VectorInstitute/unified-xai-evaluation-framework https://vectorinstitute.github.io/unified-xai-evaluation-framework

Large language model (LLM) agents now execute long, tool-using tasks where final outcome checks can arrive too late for intervention. Online warning requires lightweight prefix monitors over heterogeneous traces, but hand-authored event schemas are brittle and deployment-time LLM judging is costly. We introduce PrefixGuard, a trace-to-monitor framework with an offline StepView induction step followed by supervised monitor training. StepView induces deterministic typed-step adapters from raw trace samples, and the monitor learns an event abstraction and prefix-risk scorer from terminal outcomes. Across WebArena, τ^2-Bench, SkillsBench, and TerminalBench, the strongest PrefixGuard monitors reach 0.900/0.710/0.533/0.557 AUPRC. Using the strongest backend within each representation, they improve over raw-text controls by an average of +0.137 AUPRC. LLM judges remain substantially weaker under the same prefix-warning protocol. We also derive an observability ceiling on score-based area under the precision-recall curve (AUPRC) that separates monitor error from failures lacking evidence in the observed prefix. For finite-state audit, post-hoc deterministic finite automaton (DFA) extraction remains compact on WebArena and τ^2-Bench (29 and 20 states) but expands to 151 and 187 states on SkillsBench and TerminalBench. Finally, first-alert diagnostics show that strong ranking does not imply deployment utility: WebArena ranks well yet fails to support low-false-alarm alerts, whereas τ^2-Bench and TerminalBench retain more actionable early alerts. Together, these results position PrefixGuard as a practical monitor-synthesis recipe with explicit diagnostics for when prefix warnings translate into actionable interventions.

Code agents increasingly help developers work with unfamiliar repositories, but every such task depends on a costly prerequisite: bootstrapping the repository into a usable development state. This process requires substantial trial-and-error exploration, yet the resulting knowledge--resolved dependencies, repair strategies--stays trapped in a single conversation, unavailable to future agents. We therefore formulate repository bootstrapping as a reusable startup knowledge problem and introduce BootstrapAgent, a multi-agent framework that distills the heuristics discovered during bootstrap exploration into a persistent, verifiable, agent-consumable .bootstrap contract. Through evidence extraction, structured planning, deterministic Docker-based verification, and trace-driven repair, BootstrapAgent generates a contract covering environment setup, diagnostic checks, minimal verification, and accumulated repair knowledge. We further propose warm repair with clean replay to accelerate iterative debugging without sacrificing cold-start reproducibility, and a delta repair with sanity check to prevent reward hacking. Experiments on three benchmarks show that BootstrapAgent achieves a 92.9% success rate, outperforming the baseline by over 10% while reducing downstream agent token usage by 25.9% and build time by 22.3%. Our code is available at https://github.com/Vossera/BootstrapAgent.

Large Language Models (LLMs) often generate code with subtle but critical bugs, especially for complex tasks. Existing automated repair methods typically rely on superficial pass/fail signals, offering limited visibility into program behavior and hindering precise error localization. In addition, without a way to learn from prior failures, repair processes often fall into repetitive and inefficient cycles. To overcome these challenges, we present TraceCoder, a collaborative multi-agent framework that emulates the observe-analyze-repair process of human experts. The framework first instruments the code with diagnostic probes to capture fine-grained runtime traces, enabling deep insight into its internal execution. It then conducts causal analysis on these traces to accurately identify the root cause of the failure. This process is further enhanced by a novel Historical Lesson Learning Mechanism (HLLM), which distills insights from prior failed repair attempts to inform subsequent correction strategies and prevent recurrence of similar mistakes. To ensure stable convergence, a Rollback Mechanism enforces that each repair iteration constitutes a strict improvement toward the correct solution. Comprehensive experiments across multiple benchmarks show that TraceCoder achieves up to a 34.43\% relative improvement in Pass@1 accuracy over existing advanced baselines. Ablation studies verify the significance of each system component, with the iterative repair process alone contributing a 65.61\% relative gain in accuracy. Furthermore, TraceCoder significantly outperforms leading iterative methods in terms of both accuracy and cost-efficiency.

Software requirements traceability is a critical component of the software engineering process, enabling activities such as requirements validation, compliance verification, and safety assurance. However, the cost and effort of manually creating a complete set of trace links across natural language artifacts such as requirements, design, and test-cases can be prohibitively expensive. Researchers have therefore proposed automated link-generation solutions primarily based on information-retrieval (IR) techniques; however, these solutions have failed to deliver the accuracy needed for full adoption in industrial projects. Improvements can be achieved using deep-learning traceability models; however, their efficacy is impeded by the limited size and availability of project-level artifacts and links to serve as training data. In this paper, we address this problem by proposing and evaluating several deep-learning approaches for text-to-text traceability. Our method, named NLTrace, explores three transfer learning strategies that use datasets mined from open world platforms. Through pretraining Language Models (LMs) and leveraging adjacent tracing tasks, we demonstrate that NLTrace can significantly improve the performance of LM based trace models when training links are available. In such scenarios NLTrace outperforms the best performing classical IR method with an 188% improvement in F2 score and 94.01% in Mean Average Precision (MAP). It also outperforms the general LM based trace model by 7% and 23% for F2 and MAP respectively. In addition, NLTrace can adapt to low-resource tracing scenarios where other LM models can not. The knowledge learned from adjacent tasks enables NLTrace to outperform VSM models by 28% F2 on generation challenges when presented with a small number of training examples.

Code agents are advancing rapidly, but debugging them is becoming increasingly difficult. As frameworks orchestrate parallel tool calls and multi-stage workflows over complex tasks, making the agent's state transitions and error propagation hard to observe. In these runs, an early misstep can trap the agent in unproductive loops or even cascade into fundamental errors, forming hidden error chains that make it hard to tell when the agent goes off track and why. Existing agent tracing analyses either focus on simple interaction or rely on small-scale manual inspection, which limits their scalability and usefulness for real coding workflows. We present CodeTracer, a tracing architecture that parses heterogeneous run artifacts through evolving extractors, reconstructs the full state transition history as a hierarchical trace tree with persistent memory, and performs failure onset localization to pinpoint the failure origin and its downstream chain. To enable systematic evaluation, we construct CodeTraceBench from a large collection of executed trajectories generated by four widely used code agent frameworks on diverse code tasks (e.g., bug fixing, refactoring, and terminal interaction), with supervision at both the stage and step levels for failure localization. Experiments show that CodeTracer substantially outperforms direct prompting and lightweight baselines, and that replaying its diagnostic signals consistently recovers originally failed runs under matched budgets. Our code and data are publicly available.

Clinical diagnosis is critical in medical practice, typically requiring a continuous and evolving process that includes primary diagnosis, differential diagnosis, and final diagnosis. However, most existing clinical diagnostic tasks are single-step processes, which does not align with the complex multi-step diagnostic procedures found in real-world clinical settings. In this paper, we propose a multi-step diagnostic task and annotate a clinical diagnostic dataset (MSDiagnosis). This dataset includes primary diagnosis, differential diagnosis, and final diagnosis questions. Additionally, we propose a novel and effective framework. This framework combines forward inference, backward inference, reflection, and refinement, enabling the LLM to self-evaluate and adjust its diagnostic results. To assess the effectiveness of our proposed method, we design and conduct extensive experiments. The experimental results demonstrate the effectiveness of the proposed method. We also provide a comprehensive experimental analysis and suggest future research directions for this task.

Applied Behavior Analysis (ABA) is a clinical discipline whose documentation, teaching programs and multi-session behavioral logs, is formulaic and high-volume, yet real session data is HIPAA-protected and bound by professional confidentiality rules, blocking the release of a training corpus. We present TRACE (Taxonomy-Referenced ABA Clinical Examples), a 2,999-example synthetic instruction-tuning dataset covering two ABA tasks: teaching-program generation across Discrete Trial Training, Natural Environment Teaching, and Task Analysis; and multi-session behavioral interpretation across twelve trajectory patterns and thirteen target behaviors. Every example is produced by a deterministic taxonomy-driven generator grounded in the canonical ABA literature, and every example carries complete sampling provenance, the exact taxonomy cells that produced it. The dataset is released under CC BY-NC 4.0 for data and MIT for code, with stratified train (2,549), validation (149), test (281), and sanity (20) splits. TRACE is a research artifact and has not been clinically validated.

Although recent tool-augmented benchmarks involve complex requests, evaluation remains limited to answer matching, neglecting critical trajectory aspects like efficiency, hallucination, and adaptivity. The most straightforward method for evaluation is to compare an agent's trajectory with the ground-truth, but annotating all valid ground-truth trajectories is prohibitively expensive. In this manner, we introduce TRACE, a reference-free framework for the multi-dimensional evaluation of tool-augmented LLMs. By incorporating an evidence bank which accumulates knowledge from preceding steps, TRACE assesses an agent's reasoning trajectory effectively. To validate our framework, we develop a new meta-evaluation dataset with diverse and flawed trajectories, each labeled with multi-faceted performance scores. Our results confirm that TRACE accurately evaluates complex trajectories even with small open-source LLMs. Furthermore, we apply our method to evaluate the trajectories that agents produce while solving tool-augmented tasks, presenting previously unreported observations and their corresponding insights.

In recent years, trace generation has emerged as a significant challenge within the Process Mining community. Deep Learning (DL) models have demonstrated accuracy in reproducing the features of the selected processes. However, current DL generative models are limited in their ability to adapt the learned distributions to generate data samples based on specific conditions or attributes. This limitation is particularly significant because the ability to control the type of generated data can be beneficial in various contexts, enabling a focus on specific behaviours, exploration of infrequent patterns, or simulation of alternative 'what-if' scenarios. In this work, we address this challenge by introducing a conditional model for process data generation based on a conditional variational autoencoder (CVAE). Conditional models offer control over the generation process by tuning input conditional variables, enabling more targeted and controlled data generation. Unlike other domains, CVAE for process mining faces specific challenges due to the multiperspective nature of the data and the need to adhere to control-flow rules while ensuring data variability. Specifically, we focus on generating process executions conditioned on control flow and temporal features of the trace, allowing us to produce traces for specific, identified sub-processes. The generated traces are then evaluated using common metrics for generative model assessment, along with additional metrics to evaluate the quality of the conditional generation

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Multi-agent systems powered by Large Language Models excel at complex tasks through coordinated collaboration, yet they face high failure rates in multi-turn deep search scenarios. Existing temporal attribution methods struggle to accurately diagnose root causes, particularly when errors propagate across multiple agents. Attempts to automate failure attribution by analyzing action sequences remain ineffective due to their inability to account for information dependencies that span agents. This paper identifies two core challenges: (i) distinguishing symptoms from root causes in multi-agent error propagation, and (ii) tracing information dependencies beyond temporal order. To address these issues, we introduce GraphTracer, a framework that redefines failure attribution through information flow analysis. GraphTracer constructs Information Dependency Graphs (IDGs) to explicitly capture how agents reference and build on prior outputs. It localizes root causes by tracing through these dependency structures instead of relying on temporal sequences. GraphTracer also uses graph-aware synthetic data generation to target critical nodes, creating realistic failure scenarios. Evaluations on the Who\&When benchmark and integration into production systems demonstrate that GraphTracer-8B achieves up to 18.18\% higher attribution accuracy compared to state-of-the-art models and enables 4.8\% to 14.2\% performance improvements in deployed multi-agent frameworks, establishing a robust solution for multi-agent system debugging.

Every call to an LLM classification endpoint produces a labeled input-output pair already retained in production logs. These pairs constitute a free, growing training set: a lightweight surrogate trained on them can absorb a significant portion of future traffic at near-zero marginal inference cost. The open questions are when the surrogate is reliable enough to deploy, what it handles versus defers, and how that boundary evolves as data accumulates. We introduce TRACER (Trace-based Adaptive Cost-Efficient Routing), an open-source system that trains ML surrogates on an LLM's own production traces and governs deployment through a parity gate: the surrogate is activated only when its agreement with the LLM exceeds a user-specified threshold α. To make the routing boundary transparent, TRACER generates interpretability artifacts describing which input regions the surrogate handles, where it plateaus, and why it defers. On a 77-class intent benchmark with a Sonnet 4.6 teacher, TRACER achieves 83-100% surrogate coverage depending on the quality target α; on a 150-class benchmark, the surrogate fully replaces the teacher. On a natural language inference task, the parity gate correctly refuses deployment because the embedding representation cannot support reliable separation. The system is available as open-source software.

Most existing pre-trained language models for source code focus on learning the static code text, typically augmented with static code structures (abstract syntax tree, dependency graphs, etc.). However, program semantics will not be fully exposed before the real execution. Without an understanding of the program execution, statically pre-trained models fail to comprehensively capture the dynamic code properties, such as the branch coverage and the runtime variable values, and they are consequently less effective at code understanding tasks, such as retrieving semantic clones and detecting software vulnerabilities. To close the gap between the static nature of language models and the dynamic characteristics of programs, we introduce TRACED, an execution-aware pre-training strategy for source code. Specifically, we pre-train code language models with a combination of source code, executable inputs, and corresponding execution traces. Our goal is to teach code models the complicated execution logic during the pre-training, enabling the model to statically estimate the dynamic code properties without repeatedly executing code during task-specific fine-tuning. To illustrate the effectiveness of our proposed approach, we fine-tune and evaluate TRACED on three downstream tasks: static execution estimation, clone retrieval, and vulnerability detection. The empirical results show that TRACED relatively improves the statically pre-trained code models by 12.4% for complete execution path prediction and by 25.2% for runtime variable value predictions. TRACED also significantly outperforms statically pre-trained models in clone retrieval and vulnerability detection across four public benchmarks.

Large Language Models (LLMs) deployed in agentic environments must exercise multiple capabilities across different task instances, where a capability is performing one or more actions in a trajectory that are necessary for successfully solving a subset of tasks in the environment. Many existing approaches either rely on synthetic training data that is not targeted to the model's actual capability deficits in the target environment or train directly on the target environment, where the model needs to implicitly learn the capabilities across tasks. We introduce TRACE (Turning Recurrent Agent failures into Capability-targeted training Environments), an end-to-end system for environment-specific agent self-improvement. TRACE contrasts successful and failed trajectories to automatically identify lacking capabilities, synthesizes a targeted training environment for each that rewards whether the capability was exercised, and trains a LoRA adapter via RL on each synthetic environment, routing to the relevant adapter at inference. Empirically, TRACE generalizes across different environments, improving over the base agent by +14.1 points on τ^2-bench (customer service) and +7 perfect scores on ToolSandbox (tool use), outperforming the strongest baseline by +7.4 points and +4 perfect scores, respectively. Given the same number of rollouts, TRACE scales more efficiently than baselines, outperforming GRPO and GEPA by +9.2 and +7.4 points on τ^2-bench.

Large language models (LLMs) show promise in medical diagnosis, but real-world deployment remains challenging due to high-stakes clinical decisions and imperfect reasoning reliability. As a result, careful inspection of model behavior is essential for assessing whether diagnostic reasoning is reliable and clinically grounded. However, debugging medical LLMs remains difficult. First, developers often lack sufficient medical domain expertise to interpret model errors in clinically meaningful terms. Second, models can fail across a large and diverse set of instances involving different input types, tasks, and reasoning steps, making it challenging for developers to prioritize which errors deserve focused inspection. Third, developers struggle to identify recurring error patterns across cases, as existing debugging practices are largely instance-centric and rely on manual inspection of isolated failures. To address these challenges, we present VeriLLMed, a visual analytics system that integrates external biomedical knowledge to audit and debug medical LLM diagnostic reasoning. VeriLLMed transforms model outputs into comparable reasoning paths, constructs knowledge graph-grounded reference paths, and identifies three recurring classes of diagnosis errors: relation errors, branch errors, and missing errors. Case studies and expert evaluation demonstrate that VeriLLMed helps developers identify clinically implausible reasoning and generate actionable insights that can inform the improvement of medical LLMs.

Evaluating open-ended outputs from large language models (LLMs) remains challenging due to the absence of ground truth. Existing metrics rely on final-answer accuracy or surface-level statistics, leaving the reasoning process itself unexamined. We introduce TRACE (Toulmin-based Reasoning Assessment through Constructive Elements), a metric that analyzes Chain-of-Thought (CoT) reasoning processes. Rather than judging outcomes, TRACE inspects how arguments are constructed by integrating Toulmin's argumentation theory with Flavell's metacognitive framework to assess reasoning structure. Experiments on 26.3K QA samples across 7 reasoning models show strong correlation with benchmark accuracy (r=0.74). Furthermore, TRACE is effective as a reinforcement learning reward signal, outperforming accuracy-only baselines. Together, these results indicate that logically sound reasoning leads to higher-quality answers. TRACE thus serves as a complementary metric for evaluating open-ended outputs. Code is available at https://github.com/hyyangkisti/trace.

We study auto research as a closed empirical loop driven by external measurement. Each submitted trial carries a hypothesis, an executable code edit, an evaluator-owned outcome, and feedback that shapes the next proposal. The output is not a generated paper or a single model checkpoint, but an auditable trajectory of proposals, code diffs, experiments, scores, and failure labels. We instantiate this loop with specialist agents that partition recipe surfaces and share measured lineage across trials. The central empirical finding is that lineage feedback lets agents turn evaluator outcomes, including crashes, budget overruns, size failures, and accuracy-gate misses, into later program-level recipe edits rather than one-shot suggestions. Across 1,197 headline-run trials plus 600 Parameter Golf control trials after one-time setup and launch, humans did not choose proposals, edit recipes, override scores, or repair failed trials during the search. In the three headline runs, the same submitted-trial loop reduces Parameter Golf validation bpb by 0.81%, raises NanoChat-D12 CORE by 38.7%, and reduces CIFAR-10 Airbench96 wallclock by 4.59%, with each task measured by its own external evaluator and legality checks. The trace includes a strict architecture-domain audit of 157 headline-run submissions and program rewrites such as a NanoChat attention-kernel path change. Within this scope the loop autonomously writes code, submits experiments, absorbs feedback, applies and combines known techniques inside each environment, and improves public starting recipes.

Smart contract transactions associated with security attacks often exhibit distinct behavioral patterns compared with historical benign transactions before the attacking events. While many runtime monitoring and guarding mechanisms have been proposed to validate invariants and stop anomalous transactions on the fly, the empirical effectiveness of the invariants used remains largely unexplored. In this paper, we studied 23 prevalent invariants of 8 categories, which are either deployed in high-profile protocols or endorsed by leading auditing firms and security experts. Using these well-established invariants as templates, we developed a tool Trace2Inv which dynamically generates new invariants customized for a given contract based on its historical transaction data. We evaluated Trace2Inv on 42 smart contracts that fell victim to 27 distinct exploits on the Ethereum blockchain. Our findings reveal that the most effective invariant guard alone can successfully block 18 of the 27 identified exploits with minimal gas overhead. Our analysis also shows that most of the invariants remain effective even when the experienced attackers attempt to bypass them. Additionally, we studied the possibility of combining multiple invariant guards, resulting in blocking up to 23 of the 27 benchmark exploits and achieving false positive rates as low as 0.32%. Trace2Inv outperforms current state-of-the-art works on smart contract invariant mining and transaction attack detection in terms of both practicality and accuracy. Though Trace2Inv is not primarily designed for transaction attack detection, it surprisingly found two previously unreported exploit transactions, earlier than any reported exploit transactions against the same victim contracts.

Parametric retrieval enables LLMs to retrieve tools implicitly by assigning each API a unique virtual token and training the model to generate it via constrained beam search. Toolsense shows that this regime has two critical drawbacks: it destroys parametric tool knowledge during training, and its beam-search decoding is too slow for real-time deployment. We introduce TRACE (Tool Retrieval via Augmented Chain-of-thought and Enterprise rules), a two-stage curriculum that resolves this dissociation. Stage 1 reuses the multi-format memorization SFT from ToolSense to seed tool knowledge with LoRA. Stage 2 is our core contribution: the model is trained to emit a thinking trace before producing a JSON list of tool tokens, using two data sources -- RRB pairs from ToolSense and queries synthesized to target business rules curated by domain experts -- both augmented with reasoning traces. This training objective preserves Stage 1 MCQ and QA probing accuracy while enabling single-beam greedy decoding at production latency. Evaluated on a combined enterprise catalog of 8,300+ tools across two enterprise product lines, TRACE training for Stage 2 not only preserves but improves tool understanding: MCQ accuracy gains +3.2 pp and QA probing gains +9 pp over Stage 1. On retrieval, TRACE achieves ~86% recall on Domain A and ~60% on Domain B -- compared to embedding baseline performance of ~27% & ~52% -- both with single-beam greedy decoding, making it directly deployable at production latency.

Code agents can autonomously resolve GitHub issues, yet when they fail, current evaluation provides no visibility into where or why. Metrics such as Pass@1 collapse an entire execution into a single binary outcome, making it difficult to identify where and why the agent went wrong. To address this limitation, we introduce TRAJEVAL, a diagnostic framework that decomposes agent trajectories into three interpretable stages: search (file localization), read (function comprehension), and edit (modification targeting). For each stage, we compute precision and recall by comparing against reference patches. Analyzing 16,758 trajectories across three agent architectures and seven models, we find universal inefficiencies (all agents examine approximately 22x more functions than necessary) yet distinct failure modes: GPT-5 locates relevant code but targets edits incorrectly, while Qwen-32B fails at file discovery entirely. We validate that these diagnostics are predictive, achieving model-level Pass@1 prediction within 0.87-2.1% MAE, and actionable: real-time feedback based on trajectory signals improves two state-of-the-art models by 2.2-4.6 percentage points while reducing costs by 20-31%. These results demonstrate that our framework not only provides a more fine-grained analysis of agent behavior, but also translates diagnostic signals into tangible performance gains. More broadly, TRAJEVAL transforms agent evaluation beyond outcome-based benchmarking toward mechanism-driven diagnosis of agent success and failure.

LLM-based agents are rapidly being adopted across diverse domains. Since they interact with users without supervision, they must be tested extensively. Current testing approaches focus on acceptance-level evaluation from the user's perspective. While intuitive, these tests require manual evaluation, are difficult to automate, do not facilitate root cause analysis, and incur expensive test environments. In this paper, we present methods to enable structural testing of LLM-based agents. Our approach utilizes traces (based on OpenTelemetry) to capture agent trajectories, employs mocking to enforce reproducible LLM behavior, and adds assertions to automate test verification. This enables testing agent components and interactions at a deeper technical level within automated workflows. We demonstrate how structural testing enables the adaptation of software engineering best practices to agents, including the test automation pyramid, regression testing, test-driven development, and multi-language testing. In representative case studies, we demonstrate automated execution and faster root-cause analysis. Collectively, these methods reduce testing costs and improve agent quality through higher coverage, reusability, and earlier defect detection. We provide an open source reference implementation on GitHub.

Establishing precise traceability between embedded systems datasheets and their corresponding code implementations remains a fundamental challenge in systems engineering, particularly for low-level software where manual mapping between specification documents and large code repositories is infeasible. Existing Traceability Link Recovery approaches primarily rely on lexical similarity and information retrieval techniques, which struggle to capture the semantic, structural, and symbol level relationships prevalent in embedded systems software. We present a hierarchical datasheet-to-code mapping methodology that employs large language models for semantic analysis while explicitly structuring the traceability process across multiple abstraction levels. Rather than performing direct specification-to-code matching, the proposed approach progressively narrows the search space through repository-level structure inference, file-level relevance estimation, and fine-grained symbollevel alignment. The method extends beyond function-centric mapping by explicitly covering macros, structs, constants, configuration parameters, and register definitions commonly found in systems-level C/C++ codebases. We evaluate the approach on multiple open-source embedded systems repositories using manually curated datasheet-to-code ground truth. Experimental results show substantial improvements over traditional information-retrieval-based baselines, achieving up to 73.3% file mapping accuracy. We significantly reduce computational overhead, lowering total LLM token consumption by 84% and end-to-end runtime by approximately 80%. This methodology supports automated analysis of large embedded software systems and enables downstream applications such as training data generation for systems-aware machine learning models, standards compliance verification, and large-scale specification coverage analysis.

Test-time scaling improves the reasoning performance of large language models but often results in token-inefficient overthinking, where models continue reasoning beyond what is necessary for a correct answer. Existing dynamic early-exit methods typically rely on single-step confidence signals, which are often unreliable for detecting reasoning convergence in multi-step settings. To mitigate this limitation, we propose TRACE, a training-free framework for efficient test-time scaling that determines when to terminate reasoning based on temporal aggregation of multi-step evidence rather than instantaneous signals. TRACE detects reasoning convergence over time by aggregating two complementary signals across recent reasoning steps: answer consistency, capturing the persistence of predicted answers, and confidence trajectory, modeling the temporal evolution of model confidence. Benefiting from these two factors, TRACE can accurately determine whether the reasoning process has converged, thereby promptly halting inference and effectively avoiding redundant reasoning steps. Extensive experiments on multiple challenging benchmarks show that TRACE reduces reasoning token usage by 25-30% on average while maintaining accuracy within 1-2% of full-length reasoning, consistently outperforming existing dynamic reasoning methods.

Software traceability establishes and leverages associations between diverse development artifacts. Researchers have proposed the use of deep learning trace models to link natural language artifacts, such as requirements and issue descriptions, to source code; however, their effectiveness has been restricted by availability of labeled data and efficiency at runtime. In this study, we propose a novel framework called Trace BERT (T-BERT) to generate trace links between source code and natural language artifacts. To address data sparsity, we leverage a three-step training strategy to enable trace models to transfer knowledge from a closely related Software Engineering challenge, which has a rich dataset, to produce trace links with much higher accuracy than has previously been achieved. We then apply the T-BERT framework to recover links between issues and commits in Open Source Projects. We comparatively evaluated accuracy and efficiency of three BERT architectures. Results show that a Single-BERT architecture generated the most accurate links, while a Siamese-BERT architecture produced comparable results with significantly less execution time. Furthermore, by learning and transferring knowledge, all three models in the framework outperform classical IR trace models. On the three evaluated real-word OSS projects, the best T-BERT stably outperformed the VSM model with average improvements of 60.31% measured using Mean Average Precision (MAP). RNN severely underperformed on these projects due to insufficient training data, while T-BERT overcame this problem by using pretrained language models and transfer learning.

The increasing adoption of agentic workflows across diverse domains brings a critical need to scalably and systematically evaluate the complex traces these systems generate. Current evaluation methods depend on manual, domain-specific human analysis of lengthy workflow traces - an approach that does not scale with the growing complexity and volume of agentic outputs. Error analysis in these settings is further complicated by the interplay of external tool outputs and language model reasoning, making it more challenging than traditional software debugging. In this work, we (1) articulate the need for robust and dynamic evaluation methods for agentic workflow traces, (2) introduce a formal taxonomy of error types encountered in agentic systems, and (3) present a set of 148 large human-annotated traces (TRAIL) constructed using this taxonomy and grounded in established agentic benchmarks. To ensure ecological validity, we curate traces from both single and multi-agent systems, focusing on real-world applications such as software engineering and open-world information retrieval. Our evaluations reveal that modern long context LLMs perform poorly at trace debugging, with the best Gemini-2.5-pro model scoring a mere 11% on TRAIL. Our dataset and code are made publicly available to support and accelerate future research in scalable evaluation for agentic workflows.

3D medical image generation is essential for data augmentation and patient privacy, calling for reliable and efficient models suited for clinical practice. However, current methods suffer from limited anatomical fidelity, restricted axial length, and substantial computational cost, placing them beyond reach for regions with limited resources and infrastructure. We introduce TRACE, a framework that generates 3D medical images with spatiotemporal alignment using a 2D multimodal-conditioned diffusion approach. TRACE models sequential 2D slices as video frame pairs, combining segmentation priors and radiology reports for anatomical alignment, incorporating optical flow to sustain temporal coherence. During inference, an overlapping-frame strategy links frame pairs into a flexible length sequence, reconstructed into a spatiotemporally and anatomically aligned 3D volume. Experimental results demonstrate that TRACE effectively balances computational efficiency with preserving anatomical fidelity and spatiotemporal consistency. Code is available at: https://github.com/VinyehShaw/TRACE.

As multi-agent AI systems are increasingly deployed in real-world settings - from automated customer support to DevOps remediation - failures become harder to diagnose due to cascading effects, hidden dependencies, and long execution traces. We present AgentTrace, a lightweight causal tracing framework for post-hoc failure diagnosis in deployed multi-agent workflows. AgentTrace reconstructs causal graphs from execution logs, traces backward from error manifestations, and ranks candidate root causes using interpretable structural and positional signals - without requiring LLM inference at debugging time. Across a diverse benchmark of multi-agent failure scenarios designed to reflect common deployment patterns, AgentTrace localizes root causes with high accuracy and sub-second latency, significantly outperforming both heuristic and LLM-based baselines. Our results suggest that causal tracing provides a practical foundation for improving the reliability and trustworthiness of agentic systems in the wild.

Deep neural networks are vulnerable to adversarial attacks. In this paper, we take the role of investigators who want to trace the attack and identify the source, that is, the particular model which the adversarial examples are generated from. Techniques derived would aid forensic investigation of attack incidents and serve as deterrence to potential attacks. We consider the buyers-seller setting where a machine learning model is to be distributed to various buyers and each buyer receives a slightly different copy with same functionality. A malicious buyer generates adversarial examples from a particular copy M_i and uses them to attack other copies. From these adversarial examples, the investigator wants to identify the source M_i. To address this problem, we propose a two-stage separate-and-trace framework. The model separation stage generates multiple copies of a model for a same classification task. This process injects unique characteristics into each copy so that adversarial examples generated have distinct and traceable features. We give a parallel structure which embeds a ``tracer'' in each copy, and a noise-sensitive training loss to achieve this goal. The tracing stage takes in adversarial examples and a few candidate models, and identifies the likely source. Based on the unique features induced by the noise-sensitive loss function, we could effectively trace the potential adversarial copy by considering the output logits from each tracer. Empirical results show that it is possible to trace the origin of the adversarial example and the mechanism can be applied to a wide range of architectures and datasets.

Battery health diagnostics today rely overwhelmingly on electrochemical signals measured at the cell terminals. A parallel literature has shown that magnetic sensing can resolve information that terminal-only measurements miss, but method development is limited by the absence, to the best of our knowledge, of public battery magnetic-measurement datasets paired with degradation labels. We release MagBridge-Battery v1.0, a synthetic dataset of 6,760 magnetic-field signatures that bridges real magnetic morphology from the Mohammadi-Jerschow Open Science Framework (OSF) archive with state-of-health (SOH) labels from the PulseBat dataset. The release contains 5,600 PulseBat-conditioned grounded samples, 600 synthetic sensor-anomaly samples derived from clean parents, and 560 low-voltage Regime-B extrapolation samples. A cell-disjoint, parent-child-leakage-free primary benchmark split is verified to contain zero overlapping cells, zero cross-split parent-child pairs, and zero sample-ID overlap. We define three primary benchmark tasks: SOH regression, second-life classification, and anomaly detection, plus an auxiliary anomaly-subtype classification task. A controlled label-shuffle ablation collapses SOH regression from R^2 approximately 0.77 to approximately 0, confirming that the bridge encodes input SOH non-trivially rather than producing label-aligned artifacts. The dataset is released on Zenodo under CC-BY-4.0, and the bridge code and benchmark suite are released under Apache-2.0. This work provides a public benchmark for magnetic-sensing battery diagnostics while paired magnetic-electrochemical measurements remain scarce.

In Agentic AI, Large Language Models (LLMs) are increasingly used in the orchestration layer to coordinate multiple agents and to interact with external services, retrieval components, and shared memory. In this setting, failures are not limited to incorrect final outputs. They also arise from long-horizon interaction, stochastic decisions, and external side effects (such as API calls, database writes, and message sends). Common failures include non-termination, role drift, propagation of unsupported claims, and attacks via untrusted context or external channels. This paper presents an assurance framework for such Agentic AI systems. Executions are instrumented as Message-Action Traces (MAT) with explicit step and trace contracts. Contracts provide machine-checkable verdicts, localize the first violating step, and support deterministic replay. The framework includes stress testing, formulated as a budgeted counterexample search over bounded perturbations. It also supports structured fault injection at service, retrieval, and memory boundaries to assess containment under realistic operational faults and degraded conditions. Finally, governance is treated as a runtime component, enforcing per-agent capability limits and action mediation (allow, rewrite, block) at the language-to-action boundary. To support comparative evaluations across stochastic seeds, models, and orchestration configurations, the paper defines trace-based metrics for task success, termination reliability, contract compliance, factuality indicators, containment rate, and governance outcome distributions. More broadly, the framework is intended as a common abstraction to support testing and evaluation of multi-agent LLM systems, and to facilitate reproducible comparison across orchestration designs and configurations.

Autoformalization, translating natural-language mathematics into formal proof assistants, is bottlenecked not by translation fluency but by faithfulness: a formal statement can typecheck and be provable, yet still encode a different theorem than the source intended. We introduce Bidirectional Provability Fingerprinting (), a framework that certifies faithfulness by characterizing each candidate through its forward and backward consequence neighborhoods in the ambient theory and matching these against probes derived from the natural-language statement. We further introduce four novel components: (i) Counterfactual Probe Generation (), a contrastive procedure that synthesizes probes targeting specific drift directions; (ii) the Equivalence Spectrum, a continuous faithfulness score that replaces brittle binary verdicts; (iii) Adaptive Probe Budget Allocation (), an information-theoretic budget router; and (iv) Faithfulness-Guided Decoding (), which uses signals as a reward during autoformalization. We prove a drift detection theorem and a PAC-faithfulness result establishing that the equivalence class of a natural language statement is learnable from O(log(1/δ)/varepsilon) probes under mild assumptions. We release , a benchmark of 2{,}183 NL/Lean~4 pairs with controlled drift labels across six subfields of mathlib4. \,+\, detects 89.6% of drifted formalizations at a 3.0% false-positive rate-against 41.2% for typecheck and 63.3% for LLM-judge baselines, and reduces the rate at which a state-of-the-art autoformalizer emits drifted statements by 47%. https://pmlrbd.github.io/BPF/

Current open-source prompt-injection detectors converge on two architectural choices: regular-expression pattern matching and fine-tuned transformer classifiers. Both share failure modes that recent work has made concrete. Regular expressions miss paraphrased attacks. Fine-tuned classifiers are vulnerable to adaptive adversaries: a 2025 NAACL Findings study reported that eight published indirect-injection defenses were bypassed with greater than fifty percent attack success rates under adaptive attacks. This work proposes seven detection techniques that each port a specific mechanism from a discipline outside large-language-model security: forensic linguistics, materials-science fatigue analysis, deception technology from network security, local-sequence alignment from bioinformatics, mechanism design from economics, spectral signal analysis from epidemiology, and taint tracking from compiler theory. Three of the seven techniques are implemented in the prompt-shield v0.4.1 release (Apache 2.0) and evaluated in a four-configuration ablation across six datasets including deepset/prompt-injections, NotInject, LLMail-Inject, AgentHarm, and AgentDojo. The local-alignment detector lifts F1 on deepset from 0.033 to 0.378 with zero additional false positives. The stylometric detector adds 11.1 percentage points of F1 on an indirect-injection benchmark. The fatigue tracker is validated via a probing-campaign integration test. All code, data, and reproduction scripts are released under Apache 2.0.

Smartphones and smartwatches are ever-present in daily life, and provide a rich source of information on their users' behaviour. In particular, digital traces derived from the phone's embedded movement sensors present an opportunity for a forensic investigator to gain insight into a person's physical activities. In this work, we present a machine learning-based approach to translate digital traces into likelihood ratios (LRs) for different types of physical activities. Evaluating on a new dataset, NFI\_FARED, which contains digital traces from four different types of iPhones labelled with 19 activities, it was found that our approach could produce useful LR systems to distinguish 167 out of a possible 171 activity pairings. The same approach was extended to analyse likelihoods for multiple activities (or groups of activities) simultaneously and create activity timelines to aid in both the early and latter stages of forensic investigations. The dataset and all code required to replicate the results have also been made public to encourage further research on this topic.

Retrieval-augmented generation (RAG) offers an effective approach for addressing question answering (QA) tasks. However, the imperfections of the retrievers in RAG models often result in the retrieval of irrelevant information, which could introduce noises and degrade the performance, especially when handling multi-hop questions that require multiple steps of reasoning. To enhance the multi-hop reasoning ability of RAG models, we propose TRACE. TRACE constructs knowledge-grounded reasoning chains, which are a series of logically connected knowledge triples, to identify and integrate supporting evidence from the retrieved documents for answering questions. Specifically, TRACE employs a KG Generator to create a knowledge graph (KG) from the retrieved documents, and then uses an Autoregressive Reasoning Chain Constructor to build reasoning chains. Experimental results on three multi-hop QA datasets show that TRACE achieves an average performance improvement of up to 14.03% compared to using all the retrieved documents. Moreover, the results indicate that using reasoning chains as context, rather than the entire documents, is often sufficient to correctly answer questions.

The rapid advancements in Autonomous Driving Systems (ADS) have necessitated robust software testing to ensure safety and reliability. However, automating the generation of scalable and concrete test scenarios remains a significant challenge. Current scenario-based test case generation methods often face limitations, such as unrealistic scenes and inaccurate vehicle trajectories. These challenges largely result from the loss of map information during data extraction and the lack of an effective verification mechanism to mitigate hallucinations in large language models (LLMs). This paper introduces TRACE, a scenario-based ADS Test case Generation framework for Critical Scenarios. By leveraging multimodal data to extract challenging scenarios from real-world car crash reports, TRACE constructs numerous critical test cases with less data, significantly enhancing ADS bug detection efficiency. Using in-context learning, chain-of-thought prompting, and self-validation approaches, we use LLMs to extract environmental and road network information from crash reports. For vehicle trajectory planning, data containing map information and vehicle coordinates serves as a knowledge base to build a ChatGPT-based LLM with path-planning capabilities, which we named TrackMate. Based on 50 existing crash reports, our approach successfully tested three ADS models across two simulation platforms, MetaDrive and BeamNG. Of the 290 constructed test scenarios, 127 are identified as critical, as they resulted in vehicle collisions. Additionally, user feedback reveals that TRACE demonstrates superior scenario reconstruction accuracy, with 77.5% of the scenarios being rated as 'mostly or 'totally' consistent, compared to only 27% for the most related SOTA, LCTGen.

Users rely on execution traces to observe agent behavior, diagnose failures, and ensure accountability. These traces contain rich procedural detail, including tool invocations, intermediate decisions, and error-recovery logic. Yet this detail can expose private procedural skills, allowing downstream methods to recover key formulas, thresholds, and strategies without access to model weights or skill files. To quantify this risk and evaluate protection, we construct CapTraceBench, a benchmark of 75 specialized long-horizon tasks and 154 curated skills across seven domains. We also introduce RedAct https://github.com/XuShuwenn/RedAct, a protected trace release framework that localizes protected key information, rewrites traces while preserving verifier-critical evidence, and embeds behavioral watermarks for downstream provenance analysis. Across representative trace reuse methods, RedAct reduces normalized skill transfer (NST) from 44.7--67.1\% on raw traces to below the no-skill baseline, while preserving audit evidence. Its standalone behavioral watermarks reach 93.6--100.0\% true detection with a false alarm rate of at most 1.9\%. These results frame public agent traces as security interfaces and show that selective redaction can reduce procedural capability leakage without removing audit evidence.

Autonomous research systems increasingly make the scientific workflow executable: agents can propose ideas, run code, inspect results, and draft papers. But executable workflows do not by themselves produce research judgment. We analyze where current systems lose trial experience: weak evidence becomes prose, pilot signals become broad claims, memory remains textual, and recurring process failures do not change later behavior. We introduce Sibyl-AutoResearch, a self-evolving AutoResearch framework built around Scientific Trial-and-Error Harnesses. A harness lets agents run bounded trials, preserve positive and negative outcomes, and route lessons into later planning, validation, claim scope, scheduling, critique, writing, and harness repair. We formalize this through two auditable conversion units: trial-to-behavior conversion, which links trial signals to later research actions, and trial-to-harness-behavior conversion, which links recurring process failures to system updates. We implement the framework in SIBYL, a file-backed autonomous research system that exposes the state, roles, memory, gates, and artifact traces needed to inspect these conversion paths. A retrospective audit identifies eight high-confidence conversion events, with a median latency of one iteration and a maximum latency of three iterations. A recovered-failure registry further shows how five naturally occurring failure classes, including duplicate results, stale numbers, and unsupported statistics, were blocked, downgraded, or routed into later repair. These traces do not establish a comparative performance claim; they show that the proposed conversion units are recoverable from realistic autonomous-research workspaces. The SIBYL framework and system are available at https://github.com/Sibyl-Research-Team/AutoResearch-SibylSystem.

As LLMs are increasingly used as judges in code applications, they should be evaluated in realistic interactive settings that capture partial context and ambiguous intent. We present TRACE (Tool for Rubric Analysis in Code Evaluation), a framework that evaluates LLM judges' ability to predict human preferences and automatically extracts rubric items to reveal systematic biases in how humans and models weigh each item. Across three modalities -- chat-based programming, IDE autocompletion, and instructed code editing -- we use TRACE to measure how well LLM judges align with developer preferences. Among 13 different models, the best judges underperform human annotators by 12-23%. TRACE identifies 35 significant sources of misalignment between humans and judges across interaction modalities, the majority of which correspond to existing software engineering code quality criteria. For example, in chat-based coding, judges are biased towards longer code explanations while humans prefer shorter ones. We find significant misalignment on the majority of existing code quality dimensions, showing alignment gaps between LLM judges and human preference in realistic coding applications.

Skill-distillation pipelines learn reusable rules from LLM agent trajectories, but they lack a key signal: how much each step costs. Without per-step cost, a pipeline cannot distinguish adding a missing step to fix a bug from removing an expensive step that never affected the outcome. We introduce ClawTrace, an agent tracing platform that records every LLM call, tool use, and sub-agent spawn during an agent session and compiles each session into a TraceCard: a compact YAML summary with per-step USD cost, token counts, and redundancy flags. Built on ClawTrace, CostCraft is a distillation pipeline that reads TraceCards and produces three types of skill patches. Preserve patches keep behaviors that led to success. Prune patches remove expensive steps that did not matter, each backed by a counterfactual argument against a named high-cost step. Repair patches fix failures grounded in oracle evidence. Ablations on 30 held-out SpreadsheetBench tasks show that both cost attribution and prune patches independently reduce quality regressions. When the same skill is applied to 30 unrelated SkillsBench tasks, an unexpected asymmetry emerges: prune rules transferred across benchmarks and cut median cost by 32%, while preserve rules, trained on benchmark-specific conventions, caused regressions on new task types. We release ClawTrace and TraceCards as open infrastructure for cost-aware agent research.

Current evaluation protocols for Vision-Language Models (VLMs) in Radiology Report Generation (RRG) rely on report-level metrics that measure lexical overlap or aggregate clinical correctness. However, such metrics do not test whether individual diagnostic statements stem from the actual pathological evidence visible in the image. This allows models to achieve competitive scores by exploiting learned priors or spurious correlations, a failure mode we refer to as vision shortcut. We introduce SHOVIR, a benchmark for evaluating vision shortcut behavior in RRG. SHOVIR extends two spatially annotated chest X-ray datasets, MIMIC-CXR and PadChest-GR, with per-box CheXpert labels, and defines image-level and disease-level occlusion experiments that contrast baseline performance on clean images against localized, region-specific perturbations. Comparing predictions across these conditions isolates two failure modes at the disease-class level: direct shortcuts, where a finding persists after its visual evidence is removed, and contextual shortcuts, where detection degrades once co-occurring pathologies are occluded despite the target region remaining intact. Benchmarking eight state-of-the-art VLMs, we find that shortcut behavior varies substantially across architectures and datasets. Models achieving the highest baseline report quality do not necessarily rank highest in spatial grounding, revealing that clinically fluent generation can coexist with shallow reliance on visual evidence. These findings expose a blind spot in current RRG evaluation and motivate region-aware assessment protocols.

As large language models (LMs) advance, there is an increasing need to control their outputs to align with human values (e.g., detoxification) or desired attributes (e.g., personalization, topic). However, autoregressive models focus on next-token predictions and struggle with global properties that require looking ahead. Existing solutions either tune or post-train LMs for each new attribute - expensive and inflexible - or approximate the Expected Attribute Probability (EAP) of future sequences by sampling or training, which is slow and unreliable for rare attributes. We introduce TRACE (Tractable Probabilistic Reasoning for Adaptable Controllable gEneration), a novel framework that efficiently computes EAP and adapts to new attributes through tractable probabilistic reasoning and lightweight control. TRACE distills a Hidden Markov Model (HMM) from an LM and pairs it with a small classifier to estimate attribute probabilities, enabling exact EAP computation over the HMM's predicted futures. This EAP is then used to reweigh the LM's next-token probabilities for globally compliant continuations. Empirically, TRACE achieves state-of-the-art results in detoxification with only 10% decoding overhead, adapts to 76 low-resource personalized LLMs within seconds, and seamlessly extends to composite attributes.

As programmers write code, they often edit and retry multiple times, creating rich "interaction traces" that reveal how they approach coding tasks and provide clues about their level of skill development. For novice programmers in particular, these traces reflect the diverse reasoning processes they employ to code, such as exploratory behavior to understand how a programming concept works, re-strategizing in response to bugs, and personalizing stylistic choices. In this work, we explore what can be learned from training language models on such reasoning traces: not just about code, but about coders, and particularly students learning to program. We introduce a dataset of over 3.8 million programming reasoning traces from users of Pencil Code, a free online educational platform used by students to learn simple programming concepts. Compared to models trained only on final programs or synthetically-generated traces, we find that models trained on real traces are stronger at modeling diverse student behavior. Through both behavioral and probing analyses, we also find that many properties of code traces, such as goal backtracking or number of comments, can be predicted from learned representations of the students who write them. Building on this result, we show that we can help students recover from mistakes by steering code generation models to identify a sequence of edits that will results in more correct code while remaining close to the original student's style. Together, our results suggest that many properties of code are properties of individual students and that training on edit traces can lead to models that are more steerable, more predictive of student behavior while programming, and better at generating programs in their final states. Code and data is available at https://github.com/meghabyte/pencilcode-public

Fact verification systems typically assess whether a claim is supported by retrieved evidence, assuming that truthfulness depends solely on what is stated. However, many real-world claims are half-truths, factually correct yet misleading due to the omission of critical context. Existing models struggle with such cases, as they are not designed to reason about what is left unsaid. We introduce the task of half-truth detection, and propose PolitiFact-Hidden, a new benchmark with 15k political claims annotated with sentence-level evidence alignment and inferred claim intent. To address this challenge, we present TRACER, a modular re-assessment framework that identifies omission-based misinformation by aligning evidence, inferring implied intent, and estimating the causal impact of hidden content. TRACER can be integrated into existing fact-checking pipelines and consistently improves performance across multiple strong baselines. Notably, it boosts Half-True classification F1 by up to 16 points, highlighting the importance of modeling omissions for trustworthy fact verification.

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.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

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.

Temporal causal representation learning methods assume that causal mechanisms switch instantaneously between discrete domains, yet real-world systems often exhibit continuous mechanism transitions. For example, a vehicle's dynamics evolve gradually through a turning maneuver, and human gait shifts smoothly from walking to running. We formalize this setting by modeling transitional mechanisms as convex combinations of finitely many atomic mechanisms, governed by time-varying mixing coefficients. Our theoretical contributions establish that both the latent causal variables and the continuous mixing trajectory are jointly identifiable. We further propose TRACE, a Mixture-of-Experts framework where each expert learns one atomic mechanism during training, enabling recovery of mechanism trajectories at test time. This formulation generalizes to intermediate mechanism states never observed during training. Experiments on synthetic and real-world data demonstrate that TRACE recovers mixing trajectories with up to 0.99 correlation, substantially outperforming discrete-switching baselines.

Understanding the brain increasingly depends on integrating evidence across scales, modalities, and disciplines. Addressing a single research question therefore requires a coordinated sequence of operations, from surveying prior work to executing analyses and interpreting results in light of domain knowledge. AI agents promise to accelerate this process, but current agents lack domain expertise in brain science, may fabricate claims, drift during multi-step reasoning, and offer few defined points for expert intervention. These failures are especially costly in brain science, where conclusions feed into downstream scientific claims and depend on laboratory-specific expertise and careful human judgment. We present BrainPilot a fully open-source multi-agent system that accelerates brain science research with traceable logs and agent-verified results. A principal investigator (PI) agent coordinates specialist agents grounded in curated domain knowledge: a unified brain science knowledge base containing 7{,}233 indexed items and a skill library of 72 reusable methodology units across seven research domains. Every major step is recorded in the Graph of Trace, an auditable record that links subgoals, tool use, evidence, and claims and allows researchers to follow and inspect the workflow. An Auditor agent further integrates fabrication checking into the workflow. For evaluation, we run three brain science tasks from Agents' Last Exam, introduce our own benchmark, BrainPilotBench-v0, and present additional end-to-end case studies. Across these evaluations, BrainPilot with an open-source backbone model attains performance comparable to state-of-the-art agent framework with less costs.

Large language models have achieved strong performance on medical reasoning benchmarks, yet their deployment in clinical settings demands rigorous verification to ensure factual accuracy. While reward models offer a scalable approach for reasoning trace verification, existing methods face two limitations: they produce only scalar reward values without explicit justification, and they rely on single-pass retrieval that precludes adaptive knowledge access as verification unfolds. We introduce method, an agentic framework that addresses these limitations by training medical reasoning verifiers to iteratively query external medical corpora during evaluation. Our approach combines tool-augmented verification with an iterative reinforcement learning paradigm that requires only trace-level supervision, alongside an adaptive curriculum mechanism that dynamically adjusts training data distribution. Across four medical reasoning benchmarks, method achieves substantial gains over existing methods, improving MedQA accuracy by 23.5% and MedXpertQA by 32.0% relative to the base generator in particular. Crucially, method demonstrates an 8times reduction in sampling budget requirement compared to prior reward model baselines. These findings establish that grounding verification in dynamically retrieved evidence offers a principled path toward more reliable medical reasoning systems.

Anomaly detection methods can be very useful in identifying unusual or interesting patterns in data. A recently proposed conditional anomaly detection framework extends anomaly detection to the problem of identifying anomalous patterns on a subset of attributes in the data. The anomaly always depends (is conditioned) on the value of remaining attributes. The work presented in this paper focuses on instance-based methods for detecting conditional anomalies. The methods rely on the distance metric to identify examples in the dataset that are most critical for detecting the anomaly. We investigate various metrics and metric learning methods to optimize the performance of the instance-based anomaly detection methods. We show the benefits of the instance-based methods on two real-world detection problems: detection of unusual admission decisions for patients with the community-acquired pneumonia and detection of unusual orders of an HPF4 test that is used to confirm Heparin induced thrombocytopenia - a life-threatening condition caused by the Heparin therapy.

Over the years, adversarial attempts against critical services have become more effective and sophisticated in launching low-profile attacks. This trend has always been concerning. However, an even more alarming trend is the increasing difficulty of collecting relevant evidence about these attacks and the involved threat actors in the early stages before significant damage is done. This issue puts defenders at a significant disadvantage, as it becomes exceedingly difficult to understand the attack details and formulate an appropriate response. Developing robust forensics tools to collect evidence about modern threats has never been easy. One main challenge is to provide a robust trade-off between achieving sufficient visibility while leaving minimal detectable artifacts. This paper will introduce LASE, an open-source Low-Artifact Forensics Engine to perform threat analysis and forensics in Windows operating system. LASE augments current analysis tools by providing detailed, system-wide monitoring capabilities while minimizing detectable artifacts. We designed multiple deployment scenarios, showing LASE's potential in evidence gathering and threat reasoning in a real-world setting. By making LASE and its execution trace data available to the broader research community, this work encourages further exploration in the field by reducing the engineering costs for threat analysis and building a longitudinal behavioral analysis catalog for diverse security domains.

As Large Language Models shift the programming toward human-guided ''vibe coding'', agentic coding tools increasingly rely on models to self-diagnose and repair their own subtle faults -- a capability central to autonomous software engineering yet never systematically evaluated. We present , the first empirical decomposition that jointly evaluates two coupled tasks: Fault-Triggering Test Generation (FT-Test) constructing a discriminative witness that exposes a latent bug, and Fault-targeted Program Repair (FPR), repairing it under varying diagnostic conditions. pairs competitive programming problems with LLM-generated solutions that pass partial test suites but fail on semantic edge cases, enabling controlled identification of where the diagnostic chain breaks down. Evaluating 12 frontier LLMs, we find that fault-targeted reasoning does not scale with general coding ability. Models produce syntactically valid test inputs at near-ceiling rates yet collapse on discriminative generation, with fault hypothesis generation -- not output validation -- as the dominant bottleneck. Test-guided repair reveals a complementary insight: when self-generated tests successfully witness a fault, the resulting repair matches or outperforms repair guided by externally provided tests, but tests that fail to witness the fault actively degrade repair below unguided baselines. Together, these results reframe the challenge of autonomous debugging: the binding bottleneck is not code synthesis or test validity but fault-target reasoning, a capability that remains deficient across all frontier models. As Large Language Models shift the programming toward human-guided ''vibe coding'', agentic coding tools increasingly rely on models to self-diagnose and repair their own subtle faults -- a capability central to autonomous software engineering yet never systematically evaluated.

Successful forensic detectors can produce excellent results in supervised learning benchmarks but struggle to transfer to real-world applications. We believe this limitation is largely due to inadequate training data quality. While most research focuses on developing new algorithms, less attention is given to training data selection, despite evidence that performance can be strongly impacted by spurious correlations such as content, format, or resolution. A well-designed forensic detector should detect generator specific artifacts rather than reflect data biases. To this end, we propose B-Free, a bias-free training paradigm, where fake images are generated from real ones using the conditioning procedure of stable diffusion models. This ensures semantic alignment between real and fake images, allowing any differences to stem solely from the subtle artifacts introduced by AI generation. Through content-based augmentation, we show significant improvements in both generalization and robustness over state-of-the-art detectors and more calibrated results across 27 different generative models, including recent releases, like FLUX and Stable Diffusion 3.5. Our findings emphasize the importance of a careful dataset design, highlighting the need for further research on this topic. Code and data are publicly available at https://grip-unina.github.io/B-Free/.

Forensic analyses of digital images rely heavily on the traces of in-camera and out-camera processes left on the acquired images. Such traces represent a sort of camera fingerprint. If one is able to recover them, by suppressing the high-level scene content and other disturbances, a number of forensic tasks can be easily accomplished. A notable example is the PRNU pattern, which can be regarded as a device fingerprint, and has received great attention in multimedia forensics. In this paper we propose a method to extract a camera model fingerprint, called noiseprint, where the scene content is largely suppressed and model-related artifacts are enhanced. This is obtained by means of a Siamese network, which is trained with pairs of image patches coming from the same (label +1) or different (label -1) cameras. Although noiseprints can be used for a large variety of forensic tasks, here we focus on image forgery localization. Experiments on several datasets widespread in the forensic community show noiseprint-based methods to provide state-of-the-art performance.

Reliability is essential for ensuring efficiency in LLM training. However, many real-world reliability issues remain difficult to resolve, resulting in wasted resources and degraded model performance. Unfortunately, today's collective communication libraries operate as black boxes, hiding critical information needed for effective root cause analysis. We propose Mycroft, a lightweight distributed tracing and root cause analysis system designed to address previously hidden reliability issues in collective communication. Mycroft's key idea is to trace collective communication states and leverage internal control and data dependencies to resolve reliability problems in LLM training. Mycroft has been deployed at ByteDance for over six months to debug collective communication related issues at runtime. It detected anomalies within 15 seconds in 90% of cases and identified the root cause within 20 seconds in 60% of cases. We also conducted extensive fault injection experiments to demonstrate Mycroft's capability and efficiency.

LLM agents increasingly rely on agent harness: the runtime infrastructure around the base model that defines execution environments, tool interfaces, context, lifecycle orchestration, observability, verification, and governance. Existing self-improving agents and automatic harness evolution methods mainly improve agents through runtime supervision, prompt optimization, workflow search, or harness modification based on final outcomes. However, they often fail to diagnose where the responsible evidence lies in failed trajectories and which harness implementation mechanism causes the unreliable behavior, resulting in broad, indirect, or poorly scoped changes. This paper proposes HarnessFix, a trace-grounded and diagnosis-driven framework for repairing agent harnesses. HarnessFix compiles raw execution traces and harness artifacts into a Harness-aware Trace Intermediate Representation (HTIR), which normalizes fragmented trajectory evidence, captures step-level data-flow and control-flow relations, and aligns runtime steps with the harness artifacts that shape their behavior. It then attributes failures to responsible steps and harness artifacts, and consolidates recurring diagnoses into repair-oriented flaw records. Finally, HarnessFix maps these records to scoped repair operators, generates patches under flaw-specific repair specifications, and accepts them through regression-aware validation. We evaluate HarnessFix on four popular benchmarks, and results show that it improves the performance over the initial harnesses by 6.3% to 18.4%, significantly outperforming human-designed and self-evolution baselines. HarnessFix highlights the value of treating failed trajectories not only as feedback signals, but also as structured evidence for diagnosing and repairing the harness mechanisms behind agent failures.

The rapid increase of computed tomography (CT) scans and their time-consuming manual analysis have created an urgent need for robust automated analysis techniques in clinical settings. These aim to assist radiologists and help them managing their growing workload. Existing methods typically generate entire reports directly from 3D CT images, without explicitly focusing on observed abnormalities. This unguided approach often results in repetitive content or incomplete reports, failing to prioritize anomaly-specific descriptions. We propose a new anomaly-guided report generation model, which first predicts abnormalities and then generates targeted descriptions for each. Evaluation on a public dataset demonstrates significant improvements in report quality and clinical relevance. We extend our work by conducting an ablation study to demonstrate its effectiveness.

A key strength of managed runtimes over hardware is the ability to gain detailed insight into the dynamic execution of programs with instrumentation. Analyses such as code coverage, execution frequency, tracing, and debugging, are all made easier in a virtual setting. As a portable, low-level bytecode, WebAssembly offers inexpensive in-process sandboxing with high performance. Yet to date, Wasm engines have not offered much insight into executing programs, supporting at best bytecode-level stepping and basic source maps, but no instrumentation capabilities. In this paper, we show the first non-intrusive dynamic instrumentation system for WebAssembly in the open-source Wizard Research Engine. Our innovative design offers a flexible, complete hierarchy of instrumentation primitives that support building high-level, complex analyses in terms of low-level, programmable probes. In contrast to emulation or machine code instrumentation, injecting probes at the bytecode level increases expressiveness and vastly simplifies the implementation by reusing the engine's JIT compiler, interpreter, and deoptimization mechanism rather than building new ones. Wizard supports both dynamic instrumentation insertion and removal while providing consistency guarantees, which is key to composing multiple analyses without interference. We detail a fully-featured implementation in a high-performance multi-tier Wasm engine, show novel optimizations specifically designed to minimize instrumentation overhead, and evaluate performance characteristics under load from various analyses. This design is well-suited for production engine adoption as probes can be implemented to have no impact on production performance when not in use.

This paper presents MathBode, a dynamic diagnostic for mathematical reasoning in large language models (LLMs). Instead of one-shot accuracy, MathBode treats each parametric problem as a system: we drive a single parameter sinusoidally and fit first-harmonic responses of model outputs and exact solutions. This yields interpretable, frequency-resolved metrics -- gain (amplitude tracking) and phase (lag) -- that form Bode-style fingerprints. Across five closed-form families (linear solve, ratio/saturation, compound interest, 2x2 linear systems, similar triangles), the diagnostic surfaces systematic low-pass behavior and growing phase lag that accuracy alone obscures. We compare several models against a symbolic baseline that calibrates the instrument (G approx 1, phi approx 0). Results separate frontier from mid-tier models on dynamics, providing a compact, reproducible protocol that complements standard benchmarks with actionable measurements of reasoning fidelity and consistency. We open-source the dataset and code to enable further research and adoption.

Monitoring is an important aspect of safely deploying Large Language Models (LLMs). This paper examines activation probes for detecting ``high-stakes'' interactions -- where the text indicates that the interaction might lead to significant harm -- as a critical, yet underexplored, target for such monitoring. We evaluate several probe architectures trained on synthetic data, and find them to exhibit robust generalization to diverse, out-of-distribution, real-world data. Probes' performance is comparable to that of prompted or finetuned medium-sized LLM monitors, while offering computational savings of six orders-of-magnitude. These savings are enabled by reusing activations of the model that is being monitored. Our experiments also highlight the potential of building resource-aware hierarchical monitoring systems, where probes serve as an efficient initial filter and flag cases for more expensive downstream analysis. We release our novel synthetic dataset and the codebase at https://github.com/arrrlex/models-under-pressure.

The optimization of long-horizon agents increasingly relies on reflection-based mechanisms, where a large language model (LLM) acts as an optimizer to diagnose agent failures and improve agent policies. However, real execution traces are difficult to use directly for optimization: large trace collections are often redundant and heterogeneous, making optimization inefficient and prone to overfitting to low-value failures; meanwhile, each individual trajectory also contains many irrelevant steps, while naive context reduction methods such as truncation or sliding windows can discard causally important evidence and produce misleading optimization signals. To resolve this dilemma, we introduce STRACE (Structural TRajectory Analysis and Causal Extraction), a framework that constructs high signal-noise optimization contexts for more precise and effective optimization. At the batch level, STRACE mines failure patterns to filter redundant traces and retain representative failures; within each selected trace, it performs causal localization over a textual dependency graph to remove non-causal steps and identify the true root-cause module for optimization. Empirical results demonstrate that STRACE significantly outperforms standard context-filtering baselines. Notably, on a challenging formal verification task (VeruSAGE-Bench), it successfully optimizes human-expert designed agents, delivering 1.4times success-rate improvement (42.5% to 58.5%). The code is available at https://github.com/moomight/STRACE .

With the rapid proliferation and increased sophistication of malicious software (malware), detection methods no longer rely only on manually generated signatures but have also incorporated more general approaches like machine learning detection. Although powerful for conviction of malicious artifacts, these methods do not produce any further information about the type of threat that has been detected neither allows for identifying relationships between malware samples. In this work, we address the information gap between machine learning and signature-based detection methods by learning a representation space for malware samples in which files with similar malicious behaviors appear close to each other. We do so by introducing a deep learning based tagging model trained to generate human-interpretable semantic descriptions of malicious software, which, at the same time provides potentially more useful and flexible information than malware family names. We show that the malware descriptions generated with the proposed approach correctly identify more than 95% of eleven possible tag descriptions for a given sample, at a deployable false positive rate of 1% per tag. Furthermore, we use the learned representation space to introduce a similarity index between malware files, and empirically demonstrate using dynamic traces from files' execution, that is not only more effective at identifying samples from the same families, but also 32 times smaller than those based on raw feature vectors.

Diagnosing 802.11 packet captures requires expert protocol knowledge, is slow, inconsistent across engineers, and unscalable. LLM-based approaches sound plausible but fabricate protocol events absent from captures (especially truncated traces), produce uncalibrated confidence scores, and suffer evaluation bias when golden references are co-produced by the model under test. We introduce PROBE (Protocol Reasoning Over evidence-Based Ensembles), a multi-stage pipeline addressing all three failures. It integrates (i) deterministic PCAP-to-text normalization with frame-level verifiability, (ii) multi-run, multi-candidate ensembles with optional cross-model second opinion and progressive obfuscation, (iii) a verdict-aware evidence framework treating absence of failure evidence as contributing evidence, and (iv) a fully deterministic composite reliability score from evidence validity, run-to-run stability, and cross-model agreement without LLM self-assessment. On 87 enterprise Wi-Fi captures (104 capture-reviewer pairs), single-pass LLM analysis raises weighted evidence F1 from 0.871 (expert baseline) to 0.912 but misses critical frames in 35% of cases. Naive ensemble voting drops below baseline (0.842) as majority voting amplifies conservative verdicts: 50% of confirmed failures are misclassified as 'no issue' or 'insufficient evidence.' Adding evidence-grounded reconciliation achieves 0.957 F1, a 96% auto-accept rate, and a worst-case floor above 0.70. LLM self-reported confidence clusters at 0.95 regardless of difficulty (71% report exactly 0.95), confirming it is uninformative. We also introduce a model-agnostic evaluation framework using per-field assertion matching, eliminating circular bias from model-co-produced golden references.

Computer vision techniques have advanced significantly in recent years, finding diverse and impactful applications within the medical field. In this paper, we introduce a new framework for the detection of Bethesda cells in Pap smear images, developed for Track B of the Riva Cytology Challenge held in association with the International Symposium on Biomedical Imaging (ISBI). This work focuses on enhancing computer vision models for cell detection, with performance evaluated using the mAP50-95 metric. We propose a solution based on an ensemble of YOLO and U-Net architectures, followed by a refinement stage utilizing overlap removal techniques and a binary classifier. Our framework achieved second place with a mAP50-95 score of 0.5909 in the competition. The implementation and source code are available at the following repository: github.com/martinamster/riva-trackb

Reinforcement learning with verifiable rewards (RLVR) has substantially improved language-model reasoning, yet its extension to vision-language models remains constrained by the lack of training data that are simultaneously broad, exactly verifiable, and reproducible. We introduce Trace, a taxonomy-guided environment for multidomain visual reasoning. Trace factorizes task construction into a scene grammar and an executable task program, separating visual realization from answer computation. A shared semantic state determines the rendered image, prompt, typed answer, verifier state, and replayable instance trace. The resulting environment comprises 1,000 tasks over 277 scene grammars and 11 visual domains, with controlled semantic and visual variation. RLVR on 64,000 Trace instances improves the macro-average across 24 external benchmarks by 3.51 percentage points for Qwen2.5-VL-3B and 4.06 points for Qwen2.5-VL-7B, providing evidence that broad procedural training can transfer beyond the generated task distributions. Project page: https://maveryn.github.io/trace/.

Evaluating large language models (LLMs) for instrument control requires methods that go beyond standard, stateless algorithmic benchmarks, since the behavior of physical systems cannot be fully captured by unit tests alone. Here we introduce EnvTrace, a simulation-based method that evaluates execution traces to assess semantic code equivalence. EnvTrace is demonstrated with a beamline control-logic digital twin to facilitate the evaluation of instrument control code, with the digital twin itself also enabling the pre-execution validation of live experiments. Over 30 LLMs were evaluated using trace alignment to generate a multi-faceted score for functional correctness across key behavioral dimensions, showing that many top-tier models can approach human-level performance in rapid control-code generation. This is a first step toward a broader vision where LLMs and digital twins work symbiotically: LLMs providing intuitive control and agentic orchestration, and digital twins offering safe and high-fidelity environments, paving the way towards autonomous embodied AI.

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.

LLM-based agents have demonstrated strong capabilities in data-intensive analytical tasks, yet their outputs are rarely verifiable: a reliance on linear text trajectories makes their reasoning difficult to audit. In particular, deterministic computations over raw data and semantic deductions over natural-language claims are often entangled in an unstructured stream, leaving numerical conclusions hard to reproduce and qualitative judgments hard to inspect. To address this, we propose VeriGraph, a traceable neuro-symbolic reasoning framework that enables agents to construct an explicit heterogeneous evidence directed acyclic graph (DAG) during execution. VeriGraph introduces three evidence-expansion primitives, namely computational, grounding, and derivational expansion, to connect raw data, interpreter variables, computed results, and natural-language claims in a unified graph. Under this formulation, structural traceability is reduced to graph reachability from raw data sources to terminal claims, while semantic support is measured by claim-level evidence evaluation. To improve graph construction, we further design a graph-based policy optimization strategy with a composite reward that jointly supervises answer correctness, computational integrity, and derivational coherence. Experiments on four benchmarks show that VeriGraph-8B achieves the highest overall score among all baselines. More importantly, VeriGraph produces auditable evidence graphs with substantially stronger claim grounding, achieving a 87.61\% Grounding Rate under our claim-level evidence support evaluation. These results suggest that explicit evidence-graph construction is a promising path toward verifiable data-analytic agents. Our code is available at https://github.com/ignorejjj/VeriGraph.

AI-generated image detectors achieve high accuracy on in-distribution data but often fail on unseen generators. A key obstacle to understanding this failure is the black-box nature of current detectors: they do not reveal which evidence drives their decisions. We propose ForensicConcept, a framework that extracts explicit forensic concepts from detectors and enables their transfer across backbones. Our method localizes decision-critical patches via Transformer attribution, clusters them into a compact concept codebook, and uses a concept-aligned projection to produce auditable evidence readouts. Motivated by prior studies showing that DINO representations can guide diffusion generation and exhibit concept-level correspondence with diffusion features, we introduce a generation-trace reference based on CleanDIFT diffusion features and quantify backbone-trace alignment via neighborhood-structure consistency (CKNNA). We further propose concept codebook injection to transfer diffusion-derived concepts into target backbones. Experiments on GenImage, GAN-family, and Chameleon benchmarks show consistent improvements over prior methods. We also find that CKNNA alignment predicts transfer effectiveness, providing a principled explanation for why some backbones yield more transferable forensic evidence than others.

Reasoning over heterogeneous artifacts (PDFs, spreadsheets, slide decks, etc.) increasingly occurs within structured agent workflows that iteratively extract, transform, and reference external information. In these workflows, uncertainty is not merely an input-quality issue: it can redirect decomposition and routing decisions, reshape intermediate state, and produce qualitatively different execution trajectories. We study this phenomenon by treating uncertainty as a controlled variable: we inject structured perturbations into artifact-derived representations, execute fixed workflows under comprehensive logging, and quantify contamination via trace divergence in plans, tool invocations, and intermediate state. Across 614 paired runs on 32 GAIA tasks with three different language models, we find a decoupling: workflows may diverge substantially yet recover correct answers, or remain structurally similar while producing incorrect outputs. We characterize three manifestation types: silent semantic corruption, behavioral detours with recovery, and combined structural disruption and their control-flow signatures (rerouting, extended execution, early termination). We measure operational costs and characterize why commonly used verification guardrails fail to intercept contamination. We contribute (i) a formal taxonomy of contamination manifestations in structured workflows, (ii) a trace-based measurement framework for detecting and localizing contamination across agent interactions, and (iii) empirical evidence with implications for targeted verification, defensive design, and cost control.

Robust benchmarks are crucial for evaluating Multimodal Large Language Models (MLLMs). Yet we find that models can ace many multimodal benchmarks without strong visual understanding, instead exploiting biases, linguistic priors, and superficial patterns. This is especially problematic for vision-centric benchmarks that are meant to require visual inputs. We adopt a diagnostic principle for benchmark design: if a benchmark can be gamed, it will be. Designers should therefore try to ``game'' their own benchmarks first, using diagnostic and debiasing procedures to systematically identify and mitigate non-visual biases. Effective diagnosis requires directly ``training on the test set'' -- probing the released test set for its intrinsic, exploitable patterns. We operationalize this standard with two components. First, we diagnose benchmark susceptibility using a ``Test-set Stress-Test'' (TsT) methodology. Our primary diagnostic tool involves fine-tuning a powerful Large Language Model via k-fold cross-validation on exclusively the non-visual, textual inputs of the test set to reveal shortcut performance and assign each sample a bias score s(x). We complement this with a lightweight Random Forest-based diagnostic operating on hand-crafted features for fast, interpretable auditing. Second, we debias benchmarks by filtering high-bias samples using an ``Iterative Bias Pruning'' (IBP) procedure. Applying this framework to four benchmarks -- VSI-Bench, CV-Bench, MMMU, and VideoMME -- we uncover pervasive non-visual biases. As a case study, we apply our full framework to create VSI-Bench-Debiased, demonstrating reduced non-visual solvability and a wider vision-blind performance gap than the original.

Large Language Models (LLMs) can enhance reasoning capabilities through test-time scaling by generating multiple traces. However, the combination of lengthy reasoning traces with multiple sampling introduces substantial computation and high end-to-end latency. Prior work on accelerating this process has relied on similarity-based or confidence-based pruning, but these signals do not reliably indicate trace quality. To address these limitations, we propose STEP: Step-level Trace Evaluation and Pruning, a novel pruning framework that evaluates reasoning steps using hidden states and dynamically prunes unpromising traces during generation. We train a lightweight step scorer to estimate trace quality, and design a GPU memory-aware pruning strategy that triggers pruning as the GPU memory is saturated by KV cache to reduce end-to-end latency. Experiments across challenging reasoning benchmarks demonstrate that STEP reduces end-to-end inference latency by 45%-70% on average compared to self-consistency while also improving reasoning accuracy. Our code is released at: https://github.com/Supercomputing-System-AI-Lab/STEP

Machine learning systems in fraud detection, credit scoring, and clinical risk assessment operate under delayed ground truth: outcome labels arrive days to months after the decision they evaluate. During this blind period, governance evidence degrades through mechanisms that neither drift detection methods nor governance frameworks adequately address. This paper formalizes an evidence sufficiency model with four dimensions (completeness, freshness, reliability, representativeness) and a decision-readiness gate that quantifies how label latency degrades evidence quality. The model maps three drift types to dimension-specific degradation trajectories. A complementary proxy indicator framework comprising seven measurement categories estimates sufficiency degradation without labels, with explicit coverage mapping and characterized blind spots per drift type. Evaluation on the IEEE-CIS Fraud Detection dataset (~590K transactions) with controlled drift injection shows that composite proxy monitoring detects covariate and mixed drift with 100% detection rate, while concept drift without feature change remains undetected -- consistent with the theoretical impossibility of unsupervised detection when P(X) is unchanged. Blind period simulation confirms monotone sufficiency degradation, with concept drift degrading fastest (S=0.242 at day 60 vs 0.418 for no-drift). The framework contributes a governance sufficiency monitoring instrument; its value lies in translating drift signals into auditable sufficiency assessments with characterized blind spots. Mapping sufficiency levels to governance actions requires deployment-specific calibration beyond this study's scope.

Most vehicle predictive maintenance systems rely exclusively on internal diagnostic signals and are validated on deterministic synthetic data, limiting the credibility of reported metrics. This paper presents a simulation-validated proof-of-concept framework for V2X-augmented predictive maintenance, integrating on-board sensor streams with external contextual signals -- road quality, weather, traffic density, and driver behaviour -- acquired via V2X communication and third-party APIs, with inference at the vehicle edge. Field validation on instrumented vehicles is identified as the required next step. Three experiments address common shortcomings of prior work. A feature group ablation study shows that V2X contextual features contribute a 2.6-point F1 gain, with full context removal reducing macro F1 from 0.855 to 0.807. On the AI4I 2020 real-world industrial failure dataset (10,000 samples, five failure modes), LightGBM achieves AUC-ROC of 0.973 under 5-fold stratified CV with SMOTE confined to training folds. A noise sensitivity analysis shows macro F1 remains above 0.88 under low noise and degrades to 0.74 under very high noise. SHAP analysis confirms that V2X and engineered interaction features rank among the top 15 predictors. Edge inference is estimated to reduce latency from 3.5s to under 1.0s versus cloud-only processing.

Interactive LLM agents are becoming part of daily work, but they do not reliably become easier to work with over time: a correction remembered in one session may still be violated in the next. We study this gap between preference access and preference compliance. In tasks derived from anonymized real-user friction cases, Mem0 memory still leaves 57.5% of applicable preference checks violated. We introduce Test-time Rule Acquisition and Compiled Enforcement (TRACE), a drop-in skill-layer pipeline for coding-agent runtimes that mines user corrections, rewrites them as atomic rules, and compiles them into runtime checks that must pass before an agent completes future tasks. Unlike runtime checks written ahead of time by developers, TRACE skills come from the user's own chat corrections. We evaluate TRACE with simulated user-in-the-loop experiments on ClawArena coding-agent tasks and MemoryArena-derived memory-intensive tasks. On ClawArena, TRACE reduces held-out preference violation from 100.0% to 37.6% on in-distribution tasks and from 100.0% to 2.0% on out-of-distribution tasks. On MemoryArena-derived tasks, TRACE reduces in-distribution violation from 100.0% to 60.5% while matching or exceeding the strongest memory baseline on task pass. These results suggest that compiling corrections into runtime enforcement can address a repeated-friction failure mode that memory alone does not reliably solve, reducing the need for users to restate the same correction across future sessions. Experiment code is available at https://github.com/YujunZhou/TRACE_exp, and the deployable skill is available at https://github.com/YujunZhou/tellonce.

LLM agents often retry after external validation rejects a candidate, but the interface between validation and the next model call remains underspecified. We introduce VeriHarness, a code-controlled agent loop in which models generate candidates while external validators control acceptance, budgets, and traces. We use it to compare raw diagnostics with feedback that identifies the failure location, observed value, and admissible alternatives. Across 50 paired TextWorld games under a four-call cap, feedback containing all three fields raises terminal success from 14/50 to 36/50 for Qwen2.5-Coder-14B (+44 percentage points) and from 8/50 to 29/50 for Llama-3.1-8B (+42 points). Ablations locate most of the gain in the admissible alternatives: feedback containing only the location and observed value remains near the raw diagnostic baseline. Presenting the complete repair information in prose instead of a keyed JSON record yields nearly the same success, providing no evidence that JSON syntax itself improves repair. The ordering persists across the tested call budgets and one sampled-decoding setting.

Generalization, the ability to perform well beyond the training context, is a hallmark of biological and artificial intelligence, yet anticipating unseen failures remains a central challenge. Conventional approaches often take a ``bottom-up'' mechanistic route by reverse-engineering interpretable features or circuits to build explanatory models. While insightful, these methods often struggle to provide the high-level, predictive signals for anticipating failure in real-world deployment. Here, we propose using a ``top-down'' approach to studying generalization failures inspired by medical biomarkers: identifying system-level measurements that serve as robust indicators of a model's future performance. Rather than mapping out detailed internal mechanisms, we systematically design and test network markers to probe structure, function links, identify prognostic indicators, and validate predictions in real-world settings. In image classification, we find that task-relevant geometric properties of in-distribution (ID) object manifolds consistently forecast poor out-of-distribution (OOD) generalization. In particular, reductions in two geometric measures, effective manifold dimensionality and utility, predict weaker OOD performance across diverse architectures, optimizers, and datasets. We apply this finding to transfer learning with ImageNet-pretrained models. We consistently find that the same geometric patterns predict OOD transfer performance more reliably than ID accuracy. This work demonstrates that representational geometry can expose hidden vulnerabilities, offering more robust guidance for model selection and AI interpretability.

We introduce behavioral fidelity -- a third evaluation dimension for synthetic tabular data that measures whether generated data preserves the temporal, sequential, and structural behavioral patterns that distinguish real-world entity activity. Existing frameworks evaluate statistical fidelity (marginal distributions and correlations) and downstream utility (classifier AUROC on synthetic-trained models), but neither tests for the behavioral signals that operational detection and analysis systems actually rely on. We formalize a taxonomy of four behavioral fraud patterns (P1-P4) covering inter-event timing, burst structure, multi-account graph motifs, and velocity-rule trigger rates; define a degradation ratio metric calibrated to a real-data noise floor (1.0 = matches real variability, k = k-times worse); and prove that row-independent generators -- the dominant paradigm -- are structurally incapable of reproducing P3 graph motifs (Proposition 1) and produce non-positive within-entity IET autocorrelation (Proposition 2), making the positive burst fingerprint of fraud sequences unachievable regardless of architecture or training data size. We benchmark CTGAN, TVAE, GaussianCopula, and TabularARGN on IEEE-CIS Fraud Detection and the Amazon Fraud Dataset. All four fail severely: on IEEE-CIS composite degradation ratios range from 24.4x (TVAE) to 39.0x (GaussianCopula); on Amazon FDB, row-independent generators score 81.6-99.7x, while TabularARGN achieves 17.2x. We document generator-specific failure modes and their resolutions. The P1-P4 framework extends to any domain with entity-level sequential tabular data, including healthcare and network security. We release our evaluation framework as open source.

Large language models (LLMs) for code completion and generation are increasingly used in software development, yet they may reproduce training examples verbatim and without authorship attribution, raising legal and ethical concerns around plagiarism and license compliance. Classical fingerprint-based plagiarism detectors based on fingerprinting, such as Winnowing, remain highly effective, yet the inspection requires comparing fragments of code to the entire training set, and their linear-time search makes them impractical for the billion-scale corpora used to train modern code LLMs. To bridge this gap, we introduce SOURCETRACKER, a 300M-parameter encoder tailored for code retrieval, together with a hybrid two-stage provenance-tracking pipeline HYBRIDSOURCETRACKER (HST). HST first narrows down a small set of candidate snippets via vector search, then re-ranks those candidates using Winnowing on exact fingerprints. We train and evaluate our system on a 10M-snippet subset of the THESTACKV2 dataset, with both verbatim and adapted snippets that emulate realistic identifier renaming. On an in vitro 100k-snippet search space with adapted queries, our hybrid approach reaches a mean reciprocal rank on par with Winnowing for 30-token fragments. Then, starting from windows >= 60 tokens, it consistently over-performs by up to 5.4% while preserving logarithmic-time query complexity. In a complementary evaluation using an LLM-based judge, we find that many retrieved snippets not labeled as ground truth are still highly similar to the expected sources, particularly with longer context windows, and thus remain useful for end users. Overall, our results demonstrate that integrating vector search with fingerprinting enables scalable, high-precision provenance tracking for code produced by LLMs.

Information systems have widely been the target of malware attacks. Traditional signature-based malicious program detection algorithms can only detect known malware and are prone to evasion techniques such as binary obfuscation, while behavior-based approaches highly rely on the malware training samples and incur prohibitively high training cost. To address the limitations of existing techniques, we propose MatchGNet, a heterogeneous Graph Matching Network model to learn the graph representation and similarity metric simultaneously based on the invariant graph modeling of the program's execution behaviors. We conduct a systematic evaluation of our model and show that it is accurate in detecting malicious program behavior and can help detect malware attacks with less false positives. MatchGNet outperforms the state-of-the-art algorithms in malware detection by generating 50% less false positives while keeping zero false negatives.

Recent advances in reinforcement learning for code generation have made robust environments essential to prevent reward hacking. As LLMs increasingly serve as evaluators in code-based RL, their ability to detect reward hacking remains understudied. In this paper, we propose a novel taxonomy of reward exploits spanning across 54 categories and introduce TRACE (Testing Reward Anomalies in Code Environments), a synthetically curated and human-verified benchmark containing 517 testing trajectories. Unlike prior work that evaluates reward hack detection in isolated classification scenarios, we contrast these evaluations with a more realistic, contrastive anomaly detection setup on TRACE. Our experiments reveal that models capture reward hacks more effectively in contrastive settings than in isolated classification settings, with GPT-5.2 with highest reasoning mode achieving the best detection rate at 63%, up from 45% in isolated settings on TRACE. Building on this insight, we demonstrate that state-of-the-art models struggle significantly more with semantically contextualized reward hacks compared to syntactically contextualized ones. We further conduct qualitative analyses of model behaviors, as well as ablation studies showing that the ratio of benign to hacked trajectories and analysis cluster sizes substantially impact detection performance. We release the benchmark and evaluation harness to enable the community to expand TRACE and evaluate their models.

Large language models (LLMs) have made remarkable strides in various natural language processing tasks, but their performance on complex reasoning problems remains hindered by a lack of explainability and trustworthiness. This issue, often manifesting as hallucinations or unattributable reasoning processes, limits their applicability in complex reasoning scenarios. To address this, we propose Knowledge Graph-constrained Trajectory Reasoning Attribution and Chain Explanation Supervision (KG-TRACES), a novel framework that enhances the reasoning ability of LLMs through explicit supervision over reasoning paths and processes. KG-TRACES jointly supervises the model to: (1) predict symbolic relation paths, (2) predict full triple-level reasoning paths, and (3) generate attribution-aware reasoning processes grounded in the reasoning paths. At inference phase, the model adapts to both KG-available and KG-unavailable scenarios, retrieving reasoning paths from a KG when possible or predicting plausible reasoning paths with only intrinsic knowledge when not. This design enables the model to reason in an explainable and source-attributable pattern. Through extensive experiments on complex reasoning tasks, we demonstrate that KG-TRACES significantly outperforms existing SOTA: it improves Hits@1 by 1.6% and F1 by 4.7% on WebQSP, and achieves improvements of 4.8% in Hits@1 and 2.1% in F1 on CWQ. Moreover, we show its transferability to specialized domains such as medicine. By visualizing the intermediate steps of reasoning processes, we further show that the explicit supervision introduced by KG-TRACES leads to more stable and goal-directed reasoning processes, aligning closely with correct answers. Code is available at https://github.com/Edaizi/KG-TRACES.

Evaluating conditional coverage remains one of the most persistent challenges in assessing the reliability of predictive systems. Although conformal methods can give guarantees on marginal coverage, no method can guarantee to produce sets with correct conditional coverage, leaving practitioners without a clear way to interpret local deviations. To overcome sample-inefficiency and overfitting issues of existing metrics, we cast conditional coverage estimation as a classification problem. Conditional coverage is violated if and only if some classifier can achieve lower risk than the target coverage. Through the choice of a (proper) loss function, the resulting risk difference gives a conservative estimate of natural miscoverage measures such as L1 and L2 distance, and can even separate the effects of over- and under-coverage, and non-constant target coverages. We call the resulting family of metrics excess risk of the target coverage (ERT). We show experimentally that the use of modern classifiers provides much higher statistical power than simple classifiers underlying established metrics like CovGap. Additionally, we use our metric to benchmark different conformal prediction methods. Finally, we release an open-source package for ERT as well as previous conditional coverage metrics. Together, these contributions provide a new lens for understanding, diagnosing, and improving the conditional reliability of predictive systems.

Agentic AI systems act through tools and evolve their behavior over long, stochastic interaction traces. This setting complicates assurance, because behavior depends on nondeterministic environments and probabilistic model outputs. Prior work introduced runtime verification for agentic AI via Dynamic Probabilistic Assurance (DPA), learning an MDP online and model checking quantitative properties. A key limitation is that developers must manually define the state abstraction, which couples verification to application-specific heuristics and increases adoption friction. This paper proposes TriCEGAR, a trace-driven abstraction mechanism that automates state construction from execution logs and supports online construction of an agent behavioral MDP. TriCEGAR represents abstractions as predicate trees learned from traces and refined using counterexamples. We describe a framework-native implementation that (i) captures typed agent lifecycle events, (ii) builds abstractions from traces, (iii) constructs an MDP, and (iv) performs probabilistic model checking to compute bounds such as Pmax(success) and Pmin(failure). We also show how run likelihoods enable anomaly detection as a guardrailing signal.

Despite achieving high accuracy on medical benchmarks, LLMs exhibit the Einstellung Effect in clinical diagnosis--relying on statistical shortcuts rather than patient-specific evidence, causing misdiagnosis in atypical cases. Existing benchmarks fail to detect this critical failure mode. We introduce MedEinst, a counterfactual benchmark with 5,383 paired clinical cases across 49 diseases. Each pair contains a control case and a "trap" case with altered discriminative evidence that flips the diagnosis. We measure susceptibility via Bias Trap Rate--probability of misdiagnosing traps despite correctly diagnosing controls. Extensive Evaluation of 17 LLMs shows frontier models achieve high baseline accuracy but severe bias trap rates. Thus, we propose ECR-Agent, aligning LLM reasoning with Evidence-Based Medicine standard via two components: (1) Dynamic Causal Inference (DCI) performs structured reasoning through dual-pathway perception, dynamic causal graph reasoning across three levels (association, intervention, counterfactual), and evidence audit for final diagnosis; (2) Critic-Driven Graph and Memory Evolution (CGME) iteratively refines the system by storing validated reasoning paths in an exemplar base and consolidating disease-specific knowledge into evolving illness graphs. Source code is to be released.

Prompt optimization methods either analyze individual failures in isolation or compare prompt variants across examples, operating on single execution traces with no access to the reasoning process distinguishing success from failure on the same input. We introduce ContraPrompt, built on the observation that when a model fails but succeeds on a retry with feedback, the difference between its two chain-of-thought traces constitutes an optimization signal not captured by prior methods. Unlike prior contrastive methods, we compare complete intermediate reasoning processes: the two traces share model, input, and base prompt, so remaining differences reflect reasoning strategy and appended error feedback -- we call this dyadic reasoning trace analysis. The multi-attempt solving phase is an instrumented agentic retry loop that generates contrastive data automatically without human annotation. Extracted rules are organized into an input-aware decision tree routing instructions by observable input characteristics. On four reasoning and compliance benchmarks, ContraPrompt outperforms GEPA (Agrawal et al., 2026) on all four, with absolute gains of +8.29 pp on HotPotQA (+20.8% rel.), +2.21 pp on GDPR-Bench (+18.2% rel.), +7.14 pp on GPQA Diamond (+10.6% rel.), and +0.74 pp on BBH (+0.85% rel.). Ablations confirm dyadic trace contrastivity is the critical component, with a -16% relative average drop upon its removal. On 53 EvalSet black-box optimization problems, ContraPrompt beats GEPA on 11, ties on 41, and loses on 1 at equal budget. On FiNER-139 financial named entity recognition (Loukas et al., 2022), ContraPrompt achieves +7.77 pp over the unoptimized baseline (+11.6% rel.) and +1.94 pp over GEPA (+2.66% rel.), with branch conditions aligning with standard US GAAP financial-instrument categories.

Predicting program behavior without execution is an essential and challenging task in software engineering. Traditional models often struggle to capture dynamic dependencies and interactions within code. This paper introduces a novel machine learning-based framework called CodeFlowrepresents, which predicts code coverage and detects runtime errors through Dynamic Dependencies Learning. Utilizing control flow graphs (CFGs), CodeFlowrepresents all possible execution paths and the relationships between different statements, offering a comprehensive understanding of program behavior. It constructs CFGs to depict execution paths and learns vector representations for CFG nodes, capturing static control-flow dependencies. Additionally, it learns dynamic dependencies through execution traces, which reflect the impacts among statements during execution. This approach enables accurate prediction of code coverage and identification of runtime errors. Empirical evaluations show significant improvements in code coverage prediction accuracy and effective localization of runtime errors, surpassing current models.

The emergence of large-scale multi-modal generative models has drastically advanced artificial intelligence, introducing unprecedented levels of performance and functionality. However, optimizing these models remains challenging due to historically isolated paths of model-centric and data-centric developments, leading to suboptimal outcomes and inefficient resource utilization. In response, we present a novel sandbox suite tailored for integrated data-model co-development. This sandbox provides a comprehensive experimental platform, enabling rapid iteration and insight-driven refinement of both data and models. Our proposed "Probe-Analyze-Refine" workflow, validated through applications on state-of-the-art LLaVA-like and DiT based models, yields significant performance boosts, such as topping the VBench leaderboard. We also uncover fruitful insights gleaned from exhaustive benchmarks, shedding light on the critical interplay between data quality, diversity, and model behavior. With the hope of fostering deeper understanding and future progress in multi-modal data and generative modeling, our codes, datasets, and models are maintained and accessible at https://github.com/modelscope/data-juicer/blob/main/docs/Sandbox.md.

Large Language Model (LLM)-based agentic systems, often comprising multiple models, complex tool invocations, and orchestration protocols, substantially outperform monolithic agents. Yet this very sophistication amplifies their fragility, making them more prone to system failure. Pinpointing the specific agent or step responsible for an error within long execution traces defines the task of agentic system failure attribution. Current state-of-the-art reasoning LLMs, however, remain strikingly inadequate for this challenge, with accuracy generally below 10%. To address this gap, we propose AgenTracer, the first automated framework for annotating failed multi-agent trajectories via counterfactual replay and programmed fault injection, producing the curated dataset TracerTraj. Leveraging this resource, we develop AgenTracer-8B, a lightweight failure tracer trained with multi-granular reinforcement learning, capable of efficiently diagnosing errors in verbose multi-agent interactions. On the Who&When benchmark, AgenTracer-8B outperforms giant proprietary LLMs like Gemini-2.5-Pro and Claude-4-Sonnet by up to 18.18%, setting a new standard in LLM agentic failure attribution. More importantly, AgenTracer-8B delivers actionable feedback to off-the-shelf multi-agent systems like MetaGPT and MaAS with 4.8-14.2% performance gains, empowering self-correcting and self-evolving agentic AI.

Counterfactual medical image generation enables clinicians to explore clinical hypotheses, such as predicting disease progression, facilitating their decision-making. While existing methods can generate visually plausible images from disease progression prompts, they produce silent predictions that lack interpretation to verify how the generation reflects the hypothesized progression -- a critical gap for medical applications that require traceable reasoning. In this paper, we propose Interpretable Counterfactual Generation (ICG), a novel task requiring the joint generation of counterfactual images that reflect the clinical hypothesis and interpretation texts that outline the visual changes induced by the hypothesis. To enable ICG, we present ICG-CXR, the first dataset pairing longitudinal medical images with hypothetical progression prompts and textual interpretations. We further introduce ProgEmu, an autoregressive model that unifies the generation of counterfactual images and textual interpretations. We demonstrate the superiority of ProgEmu in generating progression-aligned counterfactuals and interpretations, showing significant potential in enhancing clinical decision support and medical education. Project page: https://progemu.github.io.

The performance of LLM-based agents depends not only on the agent itself but also on the quality of the tool interfaces it consumes. While prior work has focused heavily on agent fine-tuning, tool interfaces-including natural language descriptions and parameter schemas-remain largely human-oriented and often become a bottleneck, especially when agents must select from large candidate tool sets. Existing approaches to improving tool interfaces rely on execution traces, which are frequently unavailable in cold-start or privacy-constrained settings, and typically optimize each tool independently, limiting scalability and generalization to unseen tools. We propose Trace-Free+, a curriculum learning framework that progressively transfers supervision from trace-rich settings to trace-free deployment, encouraging the model to abstract reusable interface-usage patterns and tool usage outcomes. To support this approach, we construct a large-scale dataset of high-quality tool interfaces using a structured workflow over a diverse collection of tools. Experiments on StableToolBench and RestBench show consistent gains on unseen tools, strong cross-domain generalization, and robustness as the number of candidate tools scales to over 100, demonstrating that tool interface optimization is a practical and deployable complement to agent fine-tuning.

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.

As LLM-powered agents have been used for high-stakes decision-making, such as clinical diagnosis, it becomes critical to develop reliable verification of their decisions to facilitate trustworthy deployment. Yet, existing verifiers usually underperform owing to a lack of domain knowledge and limited calibration. To address this, we establish GLEAN, an agent verification framework with Guideline-grounded Evidence Accumulation that compiles expert-curated protocols into trajectory-informed, well-calibrated correctness signals. GLEAN evaluates the step-wise alignment with domain guidelines and aggregates multi-guideline ratings into surrogate features, which are accumulated along the trajectory and calibrated into correctness probabilities using Bayesian logistic regression. Moreover, the estimated uncertainty triggers active verification, which selectively collects additional evidence for uncertain cases via expanding guideline coverage and performing differential checks. We empirically validate GLEAN with agentic clinical diagnosis across three diseases from the MIMIC-IV dataset, surpassing the best baseline by 12% in AUROC and 50% in Brier score reduction, which confirms the effectiveness in both discrimination and calibration. In addition, the expert study with clinicians recognizes GLEAN's utility in practice.

We present a straightforward statistical test to detect certain violations of the assumption that the data are Independent and Identically Distributed (IID). The specific form of violation considered is common across real-world applications: whether the examples are ordered in the dataset such that almost adjacent examples tend to have more similar feature values (e.g. due to distributional drift, or attractive interactions between datapoints). Based on a k-Nearest Neighbors estimate, our approach can be used to audit any multivariate numeric data as well as other data types (image, text, audio, etc.) that can be numerically represented, perhaps with model embeddings. Compared with existing methods to detect drift or auto-correlation, our approach is both applicable to more types of data and also able to detect a wider variety of IID violations in practice. Code: https://github.com/cleanlab/cleanlab

Recent advances show that large language models (LLMs) can act as autonomous agents capable of generating GPU kernels, but integrating these AI-generated kernels into real-world inference systems remains challenging. FlashInfer-Bench addresses this gap by establishing a standardized, closed-loop framework that connects kernel generation, benchmarking, and deployment. At its core, FlashInfer Trace provides a unified schema describing kernel definitions, workloads, implementations, and evaluations, enabling consistent communication between agents and systems. Built on real serving traces, FlashInfer-Bench includes a curated dataset, a robust correctness- and performance-aware benchmarking framework, a public leaderboard to track LLM agents' GPU programming capabilities, and a dynamic substitution mechanism (apply()) that seamlessly injects the best-performing kernels into production LLM engines such as SGLang and vLLM. Using FlashInfer-Bench, we further evaluate the performance and limitations of LLM agents, compare the trade-offs among different GPU programming languages, and provide insights for future agent design. FlashInfer-Bench thus establishes a practical, reproducible pathway for continuously improving AI-generated kernels and deploying them into large-scale LLM inference.

If autoresearch is itself a form of research, then autoresearch can be applied to research itself. We present Bilevel Autoresearch, a bilevel framework in which an outer autoresearch loop improves an inner autoresearch loop by reading its code and traces, identifying bottlenecks, and generating injectable Python search mechanisms at runtime. The inner loop optimizes task performance; the outer loop optimizes how the inner loop searches. Both loops use the same LLM, so improvements come from the bilevel architecture rather than a stronger meta-level model, although the outer loop consumes additional inference and wall-clock budget. On Karpathy's GPT pretraining benchmark, the meta-autoresearch outer loop achieves a 5x improvement over the standard inner loop alone (-0.045 vs. -0.009 val_bpb), while parameter-level adjustment without mechanism change yields no reliable gain. The outer loop instantiates mechanisms from adjacent search domains, including combinatorial optimization, multi-armed bandits, and design of experiments, without human specification of the final mechanism design. Trace analysis suggests that these mechanisms break deterministic search patterns and force exploration of directions the LLM's priors avoid. The experiments demonstrate, on this benchmark, a first bilevel step: an outer loop improves the search behavior of an inner loop. Code is the mechanism carrier in this implementation, but skills, prompts, workflows, evaluators, domain principles, world-model assumptions, and memory schemas can also encode mechanisms that shape future agent behavior. This suggests a path toward recursive bootstrapping, where mechanisms discovered for the inner loop can be fed back to improve the meta-level loop itself.

Aligned large language models (LLMs) demonstrate exceptional capabilities in task-solving, following instructions, and ensuring safety. However, the continual learning aspect of these aligned LLMs has been largely overlooked. Existing continual learning benchmarks lack sufficient challenge for leading aligned LLMs, owing to both their simplicity and the models' potential exposure during instruction tuning. In this paper, we introduce TRACE, a novel benchmark designed to evaluate continual learning in LLMs. TRACE consists of 8 distinct datasets spanning challenging tasks including domain-specific tasks, multilingual capabilities, code generation, and mathematical reasoning. All datasets are standardized into a unified format, allowing for effortless automatic evaluation of LLMs. Our experiments show that after training on TRACE, aligned LLMs exhibit significant declines in both general ability and instruction-following capabilities. For example, the accuracy of llama2-chat 13B on gsm8k dataset declined precipitously from 28.8\% to 2\% after training on our datasets. This highlights the challenge of finding a suitable tradeoff between achieving performance on specific tasks while preserving the original prowess of LLMs. Empirical findings suggest that tasks inherently equipped with reasoning paths contribute significantly to preserving certain capabilities of LLMs against potential declines. Motivated by this, we introduce the Reasoning-augmented Continual Learning (RCL) approach. RCL integrates task-specific cues with meta-rationales, effectively reducing catastrophic forgetting in LLMs while expediting convergence on novel tasks.

Large Language Models (LLMs) fine-tuned to align with human values often exhibit alignment drift, producing unsafe or policy-violating completions when exposed to adversarial prompts, decoding perturbations, or paraphrased jailbreaks. While prior work has behaviorally characterized alignment failure, little is known about the training-time belief sources underlying these failures. We introduce TraceAlign, a unified framework for tracing unsafe completions back to their root causes in the model's training corpus. Central to our approach is the Belief Conflict Index (BCI), which quantifies semantic inconsistency between generated spans and aligned policies, based on retrieved training documents using suffix-array matching. We propose three complementary interventions: (i) TraceShield, an inference-time safety filter that refuses completions with high-BCI spans, (ii) Contrastive Belief Deconfliction Loss, a contrastive fine-tuning objective penalizing high-BCI continuations during DPO, and (iii) Prov-Decode, a provenance-aware decoding strategy that vetoes beam expansions predicted to yield high-BCI spans. Together, these defenses reduce alignment drift by up to 85% on our curated Alignment Drift Benchmark (ADB) while preserving utility on standard tasks, with delta less than 0.2 and improved refusal quality. We further derive a theoretical upper bound on drift likelihood via suffix-array span statistics, linking memorization frequency and length to adversarial reactivation risk. TraceAlign thus provides the first scalable, traceable, and grounded toolkit for understanding and mitigating alignment failures at source. To encourage further exploration and development, we open-source our implementation at: https://anonymous.4open.science/r/tracealign-2DA7

Failures in multi-turn reasoning models are largely invisible to terminal-score evaluation. A model can lock onto an unsafe stance early in a long dialogue, yet its final-turn refusal rate may appear indistinguishable from a robustly aligned baseline. To expose these hidden temporal dynamics, we propose a trace-level diagnostic - the CoT-Output 2x2 safety matrix. This framework labels every turn along two independent axes (internal reasoning and visible output), yielding four operationally defined failure cells: robust alignment, alignment faking, overt jailbreak, and a distinct failure mode we term context-injection failure (where the CoT maintains safe reasoning, but the visible output produces harm, highlighting a multi-turn manifestation of reasoning unfaithfulness). We evaluate three distilled reasoning targets against a fixed attacker across five oversight conditions, collecting 6750 turn-level observations on the Information-Hazard scenario. Our analysis reveals two reproducible vulnerabilities: an oversight paradox where explicit monitoring cues paradoxically increase alignment-faking rates rather than suppress them, and a context-injection failure where models lock onto unsafe external outputs despite safe internal states. We release the full dataset of multi-turn dialogues and CoT traces to support follow-up trace-diagnostic research.

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.

Memory is essential for enabling large language models to support long-horizon reasoning, yet existing memory systems remain unreliable and difficult to debug. Tracing memory's dynamic evolution is crucial to understand how information is synthesized, propagated, or corrupted over time. In this work, we study the new problem of error tracing and attribution in LLM memory systems. We propose a novel framework that transforms memory pipelines into executable memory evolution graphs, enabling fine-grained tracing of operational information flow. We then construct MemTraceBench, a benchmark collected from representative memory systems such as Long-Context, RAG, Mem0, and EverMemOS, to systematically study memory failure modes. We further introduce an automatic attribution method that iteratively traces operation subgraphs to pinpoint the root cause of any failed case. Our analysis reveals that memory failures are systematic, stemming from operation-level issues like information loss and retrieval misalignment. Crucially, we leverage these fine-grained attribution signals to guide downstream prompt optimization, establishing a closed-loop system that automatically corrects faults and boosts end-task performance by up to 7.62%. Code will be released at https://github.com/zjunlp/MemTrace.

Interpretability and explainability of deep neural networks are challenging due to their scale, complexity, and the agreeable notions on which the explaining process rests. Previous work, in particular, has focused on representing internal components of neural networks through human-friendly visuals and concepts. On the other hand, in real life, when making a decision, human tends to rely on similar situations and/or associations in the past. Hence arguably, a promising approach to make the model transparent is to design it in a way such that the model explicitly connects the current sample with the seen ones, and bases its decision on these samples. Grounded on that principle, we propose in this paper an explainable, evidence-based memory network architecture, which learns to summarize the dataset and extract supporting evidences to make its decision. Our model achieves state-of-the-art performance on two popular question answering datasets (i.e. TrecQA and WikiQA). Via further analysis, we show that this model can reliably trace the errors it has made in the validation step to the training instances that might have caused these errors. We believe that this error-tracing capability provides significant benefit in improving dataset quality in many applications.

A fundamental skill among human developers is the ability to understand and reason about program execution. As an example, a programmer can mentally simulate code execution in natural language to debug and repair code (aka. rubber duck debugging). However, large language models (LLMs) of code are typically trained on the surface textual form of programs, thus may lack a semantic understanding of how programs execute at run-time. To address this issue, we propose NExT, a method to teach LLMs to inspect the execution traces of programs (variable states of executed lines) and reason about their run-time behavior through chain-of-thought (CoT) rationales. Specifically, NExT uses self-training to bootstrap a synthetic training set of execution-aware rationales that lead to correct task solutions (e.g., fixed programs) without laborious manual annotation. Experiments on program repair tasks based on MBPP and HumanEval demonstrate that NExT improves the fix rate of a PaLM 2 model, by 26.1% and 14.3% absolute, respectively, with significantly improved rationale quality as verified by automated metrics and human raters. Our model can also generalize to scenarios where program traces are absent at test-time.

Modern software infrastructure increasingly relies on LLM agents for development and maintenance, such as Claude Code and Gemini-cli. However, these AI agents differ fundamentally from traditional deterministic software, posing a significant challenge to conventional monitoring and debugging. This creates a critical semantic gap: existing tools observe either an agent's high-level intent (via LLM prompts) or its low-level actions (e.g., system calls), but cannot correlate these two views. This blindness makes it difficult to distinguish between benign operations, malicious attacks, and costly failures. We introduce AgentSight, an AgentOps observability framework that bridges this semantic gap using a hybrid approach. Our approach, boundary tracing, monitors agents from outside their application code at stable system interfaces using eBPF. AgentSight intercepts TLS-encrypted LLM traffic to extract semantic intent, monitors kernel events to observe system-wide effects, and causally correlates these two streams across process boundaries using a real-time engine and secondary LLM analysis. This instrumentation-free technique is framework-agnostic, resilient to rapid API changes, and incurs less than 3% performance overhead. Our evaluation shows AgentSight detects prompt injection attacks, identifies resource-wasting reasoning loops, and reveals hidden coordination bottlenecks in multi-agent systems. AgentSight is released as an open-source project at https://github.com/agent-sight/agentsight.

Accurate diagnosis with medical large language models is hindered by knowledge gaps and hallucinations. Retrieval and tool-augmented methods help, but their impact is limited by weak use of external knowledge and poor feedback-reasoning traceability. To address these challenges, We introduce Deep-DxSearch, an agentic RAG system trained end-to-end with reinforcement learning (RL) that enables steer tracebale retrieval-augmented reasoning for medical diagnosis. In Deep-DxSearch, we first construct a large-scale medical retrieval corpus comprising patient records and reliable medical knowledge sources to support retrieval-aware reasoning across diagnostic scenarios. More crutially, we frame the LLM as the core agent and the retrieval corpus as its environment, using tailored rewards on format, retrieval, reasoning structure, and diagnostic accuracy, thereby evolving the agentic RAG policy from large-scale data through RL. Experiments demonstrate that our end-to-end agentic RL training framework consistently outperforms prompt-engineering and training-free RAG approaches across multiple data centers. After training, Deep-DxSearch achieves substantial gains in diagnostic accuracy, surpassing strong diagnostic baselines such as GPT-4o, DeepSeek-R1, and other medical-specific frameworks for both common and rare disease diagnosis under in-distribution and out-of-distribution settings. Moreover, ablation studies on reward design and retrieval corpus components confirm their critical roles, underscoring the uniqueness and effectiveness of our approach compared with traditional implementations. Finally, case studies and interpretability analyses highlight improvements in Deep-DxSearch's diagnostic policy, providing deeper insight into its performance gains and supporting clinicians in delivering more reliable and precise preliminary diagnoses. See https://github.com/MAGIC-AI4Med/Deep-DxSearch.

Prior work uses linear probes on benchmark prompts as evidence of evaluation awareness in large language models. Because evaluation context is typically entangled with benchmark format and genre, it is unclear whether probe-based signals reflect context or surface structure. We test whether these signals persist under partial control of prompt format using a controlled 2x2 dataset and diagnostic rewrites. We find that probes primarily track benchmark-canonical structure and fail to generalize to free-form prompts independent of linguistic style. Thus, standard probe-based methodologies do not reliably disentangle evaluation context from structural artifacts, limiting the evidential strength of existing results.

Spatial tracing, as a fundamental embodied interaction ability for robots, is inherently challenging as it requires multi-step metric-grounded reasoning compounded with complex spatial referring and real-world metric measurement. However, existing methods struggle with this compositional task. To this end, we propose RoboTracer, a 3D-aware VLM that first achieves both 3D spatial referring and measuring via a universal spatial encoder and a regression-supervised decoder to enhance scale awareness during supervised fine-tuning (SFT). Moreover, RoboTracer advances multi-step metric-grounded reasoning via reinforcement fine-tuning (RFT) with metric-sensitive process rewards, supervising key intermediate perceptual cues to accurately generate spatial traces. To support SFT and RFT training, we introduce TraceSpatial, a large-scale dataset of 30M QA pairs, spanning outdoor/indoor/tabletop scenes and supporting complex reasoning processes (up to 9 steps). We further present TraceSpatial-Bench, a challenging benchmark filling the gap to evaluate spatial tracing. Experimental results show that RoboTracer surpasses baselines in spatial understanding, measuring, and referring, with an average success rate of 79.1%, and also achieves SOTA performance on TraceSpatial-Bench by a large margin, exceeding Gemini-2.5-Pro by 36% accuracy. Notably, RoboTracer can be integrated with various control policies to execute long-horizon, dynamic tasks across diverse robots (UR5, G1 humanoid) in cluttered real-world scenes.

Coding agents are rapidly becoming a major application of agentic LLMs, but serving them efficiently remains challenging. Progress on this challenge requires understanding real workload patterns, yet the data needed for such analysis is largely absent. Existing public traces and benchmarks do not capture real, day-to-day coding-agent usage across multiple agents and model families for serving-system analysis. To help fill this gap, we collect and release a trace of roughly 4,300 coding-agent sessions, containing about 350,000 LLM steps and 430,000 tool calls from our own day-to-day use of Claude Code and Codex. Our analysis shows that coding-agent workloads feature long autonomous loops, long contexts with short outputs, diverse and heavily-tailed tool calls, and high but imperfect prefix cache hit rates. These findings point to concrete opportunities for optimizing serving, including lower-overhead tool calling, append-length-aware prefill, semantic-aware tool-latency prediction, and improved KV-cache management around human-paced gaps. We release the dataset, trace collection pipeline, and analysis code at https://github.com/uw-syfi/TraceLab.git the project website is https://tracelab.cs.washington.edu.

The differential diagnosis of neurodegenerative dementias is a challenging clinical task, mainly because of the overlap in symptom presentation and the similarity of patterns observed in structural neuroimaging. To improve diagnostic efficiency and accuracy, deep learning-based methods such as Convolutional Neural Networks and Vision Transformers have been proposed for the automatic classification of brain MRIs. However, despite their strong predictive performance, these models find limited clinical utility due to their opaque decision making. In this work, we propose a framework that integrates two core components to enhance diagnostic transparency. First, we introduce a modular pipeline for converting 3D T1-weighted brain MRIs into textual radiology reports. Second, we explore the potential of modern Large Language Models (LLMs) to assist clinicians in the differential diagnosis between Frontotemporal dementia subtypes, Alzheimer's disease, and normal aging based on the generated reports. To bridge the gap between predictive accuracy and explainability, we employ reinforcement learning to incentivize diagnostic reasoning in LLMs. Without requiring supervised reasoning traces or distillation from larger models, our approach enables the emergence of structured diagnostic rationales grounded in neuroimaging findings. Unlike post-hoc explainability methods that retrospectively justify model decisions, our framework generates diagnostic rationales as part of the inference process-producing causally grounded explanations that inform and guide the model's decision-making process. In doing so, our framework matches the diagnostic performance of existing deep learning methods while offering rationales that support its diagnostic conclusions.

Large language models are increasingly used as chemistry assistants, yet most chemistry benchmarks still score only final answers. This masks a critical failure mode: a model may output the correct molecule, product, or option while its reasoning violates chemical logic. Existing process-level evaluators are hard to scale because LLM judges and human step-level process annotation are costly, inconsistent, and vulnerable to hallucination. We introduce ChemCoTBench-V2, a rule-verifiable diagnostic benchmark for low-cost, auditable evaluation of structured, verifier-addressable chemical reasoning traces. It spans molecular understanding, molecule editing, molecular optimization, and reaction prediction, with 5,620 evaluation samples across 18 reporting tasks. Models must expose key intermediate steps in expert-designed templates, and those steps are checked with deterministic chemistry rules and, for closed-answer tasks, reference traces rather than another LLM judge. Open-ended molecular optimization is evaluated with oracle-verifiable state constraints rather than strict trace matching. The benchmark reports three separate signals: final-answer correctness, template adherence, and step-wise verifier correctness over expert-refined intermediate commitments. Experiments on frontier models reveal a persistent gap between final-answer success and structured-reasoning-state consistency: models often follow the requested format while failing chemical-step checks, or answer correctly with weak supporting reasoning. ChemCoTBench-V2 enables fine-grained model comparison and identifies the concrete step at which the trace first violates the verifier.

AI agents are increasingly embedded in real software systems, where they execute multi-step workflows through multi-turn dialogue, tool invocations, and intermediate decisions. These long execution histories, called agentic traces, make validation difficult. Outcome-only benchmarks can miss critical procedural failures, such as incorrect workflow routing, unsafe tool usage, or violations of prompt-specified rules. This paper presents AgentPex, an AI-powered tool designed to systematically evaluate agentic traces. AgentPex extracts behavioral rules from agent prompts and system instructions, then uses these specifications to automatically evaluate traces for compliance. We evaluate AgentPex on 424 traces from τ^2-bench across models in telecom, retail, and airline customer service. Our results show that AgentPex distinguishes agent behavior across models and surfaces specification violations that are not captured by outcome-only scoring. It also provides fine-grained analysis by domain and metric, enabling developers to understand agent strengths and weaknesses at scale. The source code of AgentPex is available at https://github.com/microsoft/agentpex.

The general trace reconstruction problem seeks to recover an original sequence from its noisy copies independently corrupted by deletions, insertions, and substitutions. This problem arises in applications such as DNA data storage, a promising storage medium due to its high information density and longevity. However, errors introduced during DNA synthesis, storage, and sequencing require correction through algorithms and codes, with trace reconstruction often used as part of the data retrieval process. In this work, we propose TReconLM, which leverages language models trained on next-token prediction for trace reconstruction. We pretrain language models on synthetic data and fine-tune on real-world data to adapt to technology-specific error patterns. TReconLM outperforms state-of-the-art trace reconstruction algorithms, including prior deep learning approaches, recovering a substantially higher fraction of sequences without error.

The field of medical diagnosis has undergone a significant transformation with the advent of large language models (LLMs), yet the challenges of interpretability within these models remain largely unaddressed. This study introduces Chain-of-Diagnosis (CoD) to enhance the interpretability of LLM-based medical diagnostics. CoD transforms the diagnostic process into a diagnostic chain that mirrors a physician's thought process, providing a transparent reasoning pathway. Additionally, CoD outputs the disease confidence distribution to ensure transparency in decision-making. This interpretability makes model diagnostics controllable and aids in identifying critical symptoms for inquiry through the entropy reduction of confidences. With CoD, we developed DiagnosisGPT, capable of diagnosing 9604 diseases. Experimental results demonstrate that DiagnosisGPT outperforms other LLMs on diagnostic benchmarks. Moreover, DiagnosisGPT provides interpretability while ensuring controllability in diagnostic rigor.

Current paradigms for code verification rely heavily on external mechanisms-such as execution-based unit tests or auxiliary LLM judges-which are often labor-intensive or limited by the judging model's own capabilities. This raises a fundamental, yet unexplored question: Can an LLM's functional correctness be assessed purely from its internal computational structure? Our primary objective is to investigate whether the model's neural dynamics encode internally decodable signals that are predictive of logical validity during code generation. Inspired by mechanistic interpretability, we propose to treat code verification as a mechanistic diagnostic task, mapping the model's explicit algorithmic trajectory into line-level attribution graphs. By decomposing complex residual flows, we aim to identify the structural signatures that distinguish sound reasoning from logical failure within the model's internal circuits. Analysis across Python, C++, and Java confirms that intrinsic correctness signals are robust across diverse syntaxes. Topological features from these internal graphs predict correctness more reliably than surface heuristics and enable targeted causal interventions to fix erroneous logic. These findings establish internal introspection as a decodable property for verifying generated code. Our code is at https:// github.com/bruno686/CodeCircuit.

AI systems can increasingly automate scientific workflows, but the reasoning that links prior evidence, generated ideas, experiments and final claims often remains implicit inside model inference. Here we introduce Xcientist, a research harness that externalizes research synthesis and experimental validation into inspectable, contract-governed processes. Xcientist organizes literature evidence, idea states, implementation plans, ablation records and repair traces as persistent research artifacts, so that generated mechanisms can be grounded, executed, tested and revised without losing their evidential basis. We identify claim drift as a failure mode of automated research, where runnable artifacts no longer support the mechanism originally claimed. Across training-free memory systems, graph-structured traffic forecasting and multi-scale physics-informed neural networks, Xcientist preserves traceable trajectories from problem formulation to mechanism design, validation and bounded revision. These results suggest that AI scientists should be evaluated not only by their final artifacts, but by whether their synthesis and validation processes remain attributable, inspectable and scientifically accountable.

In this paper, we present a framework for training large language models (LLMs) as diagnostic agents with reinforcement learning, enabling them to manage multi-turn diagnostic processes, adaptively select examinations, and commit to final diagnoses. Unlike instruction-tuned models trained on static case summaries, our method acquires diagnostic strategies through interactive exploration and outcome-based feedback. Our contributions are fourfold: (i) We present DiagGym, a diagnostics world model trained with electronic health records that emits examination outcomes conditioned on patient history and recommended examination, serving as a virtual clinical environment for realistic diagnosis training and evaluation; (ii) We train DiagAgent via end-to-end, multi-turn reinforcement learning to learn diagnostic policies that optimize both information yield and diagnostic accuracy; (iii) We introduce DiagBench, a diagnostic benchmark comprising 750 cases with physician-validated examination recommendations and 99 cases annotated with 973 physician-written rubrics on diagnosis process; (iv) we demonstrate superior performance across diverse diagnostic settings. DiagAgent significantly outperforms 10 state-of-the-art LLMs, including DeepSeek-v3 and GPT-4o, as well as two prompt-engineered agents. In single-turn settings, DiagAgent achieves 9.34% higher diagnostic accuracy and 44.03% improvement in examination recommendation hit ratio. In end-to-end settings, it delivers 15.12% increase in diagnostic accuracy and 23.09% boost in examination recommendation F1 score. In rubric-based evaluation, it surpasses the next-best model, Claude-sonnet-4, by 7.1% in weighted rubric score. These findings indicate that learning policies in interactive clinical environments confers dynamic and clinically meaningful diagnostic management abilities unattainable through passive training alone.

Despite the growing capabilities of autonomous agents powered by large language models (LLMs), their adoption in high-stakes domains remains limited. A key barrier is security: the inherently nondeterministic behavior of LLM agents defies static auditing approaches that have historically underpinned software assurance. Existing security methods, such as proxy-level input filtering and model glassboxing, fail to provide sufficient transparency or traceability into agent reasoning, state changes, or environmental interactions. In this work, we introduce AgentTrace, a dynamic observability and telemetry framework designed to fill this gap. AgentTrace instruments agents at runtime with minimal overhead, capturing a rich stream of structured logs across three surfaces: operational, cognitive, and contextual. Unlike traditional logging systems, AgentTrace emphasizes continuous, introspectable trace capture, designed not just for debugging or benchmarking, but as a foundational layer for agent security, accountability, and real-time monitoring. Our research highlights how AgentTrace can enable more reliable agent deployment, fine-grained risk analysis, and informed trust calibration, thereby addressing critical concerns that have so far limited the use of LLM agents in sensitive environments.

LLM agents excel when environments are mostly static and the needed information fits in a model's context window, but they often fail in open-ended investigations where explanations must be constructed by iteratively mining evidence from massive, heterogeneous operational data. These investigations exhibit hidden dependency structure: entities interact, signals co-vary, and the importance of a fact may only become clear after other evidence is discovered. Because the context window is bounded, agents must summarize intermediate findings before their significance is known, increasing the risk of discarding key evidence. ReAct-style agents are especially brittle in this regime. Their retrieve-summarize-reason loop makes conclusions sensitive to exploration order and introduces run-to-run non-determinism, producing a reliability gap where Pass-at-k may be high but Majority-at-k remains low. Simply sampling more rollouts or generating longer reasoning traces does not reliably stabilize results, since hypotheses cannot be autonomously checked as new evidence arrives and there is no explicit mechanism for belief bookkeeping and revision. In addition, ReAct entangles semantic reasoning with controller duties such as tool orchestration and state tracking, so execution errors and plan drift degrade reasoning while consuming scarce context. We address these issues by formulating investigation as abductive reasoning over a dependency graph and proposing EoG (Explanations over Graphs), a disaggregated framework in which an LLM performs bounded local evidence mining and labeling (cause vs symptom) while a deterministic controller manages traversal, state, and belief propagation to compute a minimal explanatory frontier. On a representative ITBench diagnostics task, EoG improves both accuracy and run-to-run consistency over ReAct baselines, including a 7x average gain in Majority-at-k entity F1.

Universal Multimodal Retrieval requires unified embedding models capable of interpreting diverse user intents, ranging from simple keywords to complex compositional instructions. While Multimodal Large Language Models (MLLMs) possess strong reasoning capabilities, prevailing adaptations confine them to static encoders, underutilizing their generative potential. This encoder-only paradigm struggles with complex intents that demand logical deduction rather than superficial pattern matching. To address this, we introduce TRACE (Task-adaptive Reasoning And Compressing Embeddings). TRACE unifies generative reasoning with discriminative representation learning. It first generates a structured Chain-of-Thought (CoT) to explicitly reason about the query, and subsequently compresses this reasoning trace into a compact embedding via a dedicated token. To train this framework, we construct M-BEIR-CoT, a large-scale dataset featuring a difficulty-aware routing strategy. Experiments on the M-BEIR benchmark establish TRACE as the new state-of-the-art. Crucially, TRACE demonstrates a learned implicit routing behavior. It autonomously activates reasoning for complex queries while bypassing it for simpler ones, achieving an optimal balance between retrieval accuracy and inference throughput. Furthermore, by internalizing the deductive process, TRACE exhibits remarkable zero-shot transferability to unseen domains and novel constraints.