Daily Papers

Drafting-then-verifying decoding methods such as speculative decoding are widely adopted training-free methods to accelerate the inference of large language models (LLMs). Instead of employing an autoregressive process to decode tokens sequentially, speculative decoding initially creates drafts with an efficient small model. Then LLMs are required to conduct verification and correction in a non-autoregressive fashion to minimize time overhead. Generating longer drafts can lead to even more significant speedups once verified, but also incurs substantial trial and error costs if it fails. Suffering from the high verification failure probability, existing decoding methods cannot draft too much content for verification at one time, achieving sub-optimal inference acceleration. In this paper, we introduce Ouroboros, which constructs a phrase candidate pool from the verification process of LLMs to provide candidates for draft generation of the small model. Thereby, Ouroboros can further improve the efficiency and effectiveness of the initial drafts. The experimental results on typical text generation tasks show that Ouroboros achieves speedups of up to 1.9x and 2.8x compared to lookahead decoding and speculative decoding, respectively. The source code of Ouroboros is available at https://github.com/thunlp/Ouroboros.

In location estimation, we are given n samples from a known distribution f shifted by an unknown translation lambda, and want to estimate lambda as precisely as possible. Asymptotically, the maximum likelihood estimate achieves the Cram\'er-Rao bound of error mathcal N(0, 1{nmathcal I}), where mathcal I is the Fisher information of f. However, the n required for convergence depends on f, and may be arbitrarily large. We build on the theory using smoothed estimators to bound the error for finite n in terms of mathcal I_r, the Fisher information of the r-smoothed distribution. As n to infty, r to 0 at an explicit rate and this converges to the Cram\'er-Rao bound. We (1) improve the prior work for 1-dimensional f to converge for constant failure probability in addition to high probability, and (2) extend the theory to high-dimensional distributions. In the process, we prove a new bound on the norm of a high-dimensional random variable whose 1-dimensional projections are subgamma, which may be of independent interest.

We propose a general two-stage algorithm that enjoys a provable scaling law for the test-time compute of large language models (LLMs). Given an input problem, the proposed algorithm first generates N candidate solutions, and then chooses the best one via a multiple-round knockout tournament where each pair of candidates are compared for K times and only the winners move on to the next round. In a minimalistic implementation, both stages can be executed with a black-box LLM alone and nothing else (e.g., no external verifier or reward model), and a total of N times (K + 1) highly parallelizable LLM calls are needed for solving an input problem. Assuming that a generated candidate solution is correct with probability p_{gen} > 0 and a comparison between a pair of correct and incorrect solutions identifies the right winner with probability p_{comp} > 0.5 (i.e., better than a random guess), we prove theoretically that the failure probability of the proposed algorithm decays to zero exponentially with respect to N and K: $P(final output is incorrect) le (1 - p_{gen})^N + lceil log_2 N rceil e^{-2 K (p_{comp} - 0.5)^2}.$ Our empirical results with the challenging MMLU-Pro benchmark validate the technical assumptions, as well as the efficacy of the proposed algorithm and the gains from scaling up its test-time compute.

Deterministic inference is a comforting ideal in classical software: the same program on the same input should always produce the same output. As large language models move into real-world deployment, this ideal has been imported wholesale into inference stacks. Recent work from the Thinking Machines Lab has presented a detailed analysis of nondeterminism in LLM inference, showing how batch-invariant kernels and deterministic attention can enforce bitwise-identical outputs, positioning deterministic inference as a prerequisite for reproducibility and enterprise reliability. In this paper, we take the opposite stance. We argue that, for LLMs, deterministic inference kills. It kills the ability to model uncertainty, suppresses emergent abilities, collapses reasoning into a single brittle path, and weakens safety alignment by hiding tail risks. LLMs implement conditional distributions over outputs, not fixed functions. Collapsing these distributions to a single canonical completion may appear reassuring, but it systematically conceals properties central to artificial cognition. We instead advocate Stochastic CHAOS, treating distributional variability as a signal to be measured and controlled. Empirically, we show that deterministic inference is systematically misleading. Single-sample deterministic evaluation underestimates both capability and fragility, masking failure probability under paraphrases and noise. Phase-like transitions associated with emergent abilities disappear under greedy decoding. Multi-path reasoning degrades when forced onto deterministic backbones, reducing accuracy and diagnostic insight. Finally, deterministic evaluation underestimates safety risk by hiding rare but dangerous behaviors that appear only under multi-sample evaluation.

To enhance the handover performance in fifth generation (5G) cellular systems, conditional handover (CHO) has been evolved as a promising solution. Unlike A3 based handover where handover execution is certain after receiving handover command from the serving access network, in CHO, handover execution is conditional on the RSRP measurements from both current and target access networks, as well as on mobility parameters such as preparation and execution offsets. Analytic evaluation of conditional handover performance is unprecedented in literature. In this work, handover performance of CHO has been carried out in terms of handover latency, handover packet loss and handover failure probability. A Markov model accounting the effect of different mobility parameters (e.g., execution offset, preparation offset, time-to-preparation and time-to-execution), UE velocity and channel fading characteristics; has been proposed to characterize handover failure. Results obtained from the analytic model has been validated against extensive simulation results. Our study reveal that optimal configuration of O_{exec}, O_{prep}, T_{exec} and T_{prep} is actually conditional on underlying UE velocity and fading characteristics. This study will be helpful for the mobile operators to choose appropriate thresholds of the mobility parameters under different channel condition and UE velocities.

In the past several years, the last-iterate convergence of the Stochastic Gradient Descent (SGD) algorithm has triggered people's interest due to its good performance in practice but lack of theoretical understanding. For Lipschitz convex functions, different works have established the optimal O(log(1/delta)log T/T) or O(log(1/delta)/T) high-probability convergence rates for the final iterate, where T is the time horizon and delta is the failure probability. However, to prove these bounds, all the existing works are either limited to compact domains or require almost surely bounded noises. It is natural to ask whether the last iterate of SGD can still guarantee the optimal convergence rate but without these two restrictive assumptions. Besides this important question, there are still lots of theoretical problems lacking an answer. For example, compared with the last-iterate convergence of SGD for non-smooth problems, only few results for smooth optimization have yet been developed. Additionally, the existing results are all limited to a non-composite objective and the standard Euclidean norm. It still remains unclear whether the last-iterate convergence can be provably extended to wider composite optimization and non-Euclidean norms. In this work, to address the issues mentioned above, we revisit the last-iterate convergence of stochastic gradient methods and provide the first unified way to prove the convergence rates both in expectation and in high probability to accommodate general domains, composite objectives, non-Euclidean norms, Lipschitz conditions, smoothness, and (strong) convexity simultaneously. Additionally, we extend our analysis to obtain the last-iterate convergence under heavy-tailed noises.

Ensuring safe navigation in complex environments requires accurate real-time traversability assessment and understanding of environmental interactions relative to the robot`s capabilities. Traditional methods, which assume simplified dynamics, often require designing and tuning cost functions to safely guide paths or actions toward the goal. This process is tedious, environment-dependent, and not generalizable. To overcome these issues, we propose a novel learned perceptive Forward Dynamics Model (FDM) that predicts the robot`s future state conditioned on the surrounding geometry and history of proprioceptive measurements, proposing a more scalable, safer, and heuristic-free solution. The FDM is trained on multiple years of simulated navigation experience, including high-risk maneuvers, and real-world interactions to incorporate the full system dynamics beyond rigid body simulation. We integrate our perceptive FDM into a zero-shot Model Predictive Path Integral (MPPI) planning framework, leveraging the learned mapping between actions, future states, and failure probability. This allows for optimizing a simplified cost function, eliminating the need for extensive cost-tuning to ensure safety. On the legged robot ANYmal, the proposed perceptive FDM improves the position estimation by on average 41% over competitive baselines, which translates into a 27% higher navigation success rate in rough simulation environments. Moreover, we demonstrate effective sim-to-real transfer and showcase the benefit of training on synthetic and real data. Code and models are made publicly available under https://github.com/leggedrobotics/fdm.

Quantum digital signatures (QDS), generating correlated bit strings among three remote parties for signatures through quantum law, can guarantee non-repudiation, authenticity, and integrity of messages. Recently, one-time universal hashing QDS framework, exploiting the quantum asymmetric encryption and universal hash functions, has been proposed to significantly improve the signature rate and ensure unconditional security by directly signing the hash value of long messages. However, similar to quantum key distribution, this framework utilizes keys with perfect secrecy by performing privacy amplification that introduces cumbersome matrix operations, thereby consuming large computational resources, causing delays and increasing failure probability. Here, we prove that, different from private communication, imperfect quantum keys with limited information leakage can be used for digital signatures and authentication without compromising the security while having eight orders of magnitude improvement on signature rate for signing a megabit message compared with conventional single-bit schemes. This study significantly reduces the delay for data postprocessing and is compatible with any quantum key generation protocols. In our simulation, taking two-photon twin-field key generation protocol as an example, QDS can be practically implemented over a fiber distance of 650 km between the signer and receiver. For the first time, this study offers a cryptographic application of quantum keys with imperfect secrecy and paves a way for the practical and agile implementation of digital signatures in a future quantum network.

Large language models have transformed natural language processing, yet supervised fine-tuning (SFT) remains computationally intensive. This paper formally proves that capabilities acquired through SFT can be approximated by a base transformer model using inference-time techniques, specifically in-context learning (ICL), without altering model parameters, under idealized assumptions including unbounded computational resources and access to the fine-tuning dataset. We extend these results to practical scenarios with finite context lengths and partial dataset access. For text generation tasks with fixed output length l, datasets of size Oleft( m V{varepsilon^2} log m{delta} right) or, with bounded context, Oleft( l log V{varepsilon^2} log 1{delta} right) suffice to approximate fine-tuned behavior across m contexts within error varepsilon, where V is the vocabulary size and delta is the failure probability. For linear classification, datasets of size Oleft( d{varepsilon} right) or, with fixed context, Oleft( 1{varepsilon^2} log 1{delta} right) are sufficient, where d is the input dimension. Grounded in the Turing completeness of transformers, these results provide a theoretical foundation for resource-efficient deployment of large language models, with practical techniques like retrieval-augmented generation bridging theory to real-world applications.

We identify intrinsic limitations of Rotary Positional Embeddings (RoPE) in Transformer-based long-context language models. Our theoretical analysis abstracts away from the specific content of the context and depends only on its length. We prove that as context length increases, RoPE-based attention becomes unpredictable and loses two properties that are central to its effectiveness. First, it loses its locality bias: RoPE is no more likely to favor nearer positions than substantially farther ones. Second, it loses consistency in token relevance: a key vector that receives a higher attention score than an alternative at one position may receive a lower score at another. In both cases, the probability of failure approaches 0.5, no better than random guessing. We further prove that the attention score can remain unchanged when a key token is moved to a different position, or even replaced by a different token, indicating a failure to distinguish positions or tokens. Adjusting the RoPE base trades off distinguishing positions against distinguishing tokens but cannot preserve both at the same time. Increasing the RoPE base hyperparameter, a common practice in today's long-context models, helps distinguish different tokens, but inevitably sacrifices the ability to distinguish positions. Our empirical analysis shows that multi-head, multi-layer architectures are insufficient to overcome these limitations. Our findings suggest that fundamentally new mechanisms for encoding position and token order may be needed in future Transformer long-context language models.

We study the problem of learning to perform multi-stage robotic manipulation tasks, with applications to cable routing, where the robot must route a cable through a series of clips. This setting presents challenges representative of complex multi-stage robotic manipulation scenarios: handling deformable objects, closing the loop on visual perception, and handling extended behaviors consisting of multiple steps that must be executed successfully to complete the entire task. In such settings, learning individual primitives for each stage that succeed with a high enough rate to perform a complete temporally extended task is impractical: if each stage must be completed successfully and has a non-negligible probability of failure, the likelihood of successful completion of the entire task becomes negligible. Therefore, successful controllers for such multi-stage tasks must be able to recover from failure and compensate for imperfections in low-level controllers by smartly choosing which controllers to trigger at any given time, retrying, or taking corrective action as needed. To this end, we describe an imitation learning system that uses vision-based policies trained from demonstrations at both the lower (motor control) and the upper (sequencing) level, present a system for instantiating this method to learn the cable routing task, and perform evaluations showing great performance in generalizing to very challenging clip placement variations. Supplementary videos, datasets, and code can be found at https://sites.google.com/view/cablerouting.

This paper shows how LLMs (Large Language Models) may be used to estimate a summary of the emotional state associated with piece of text. The summary of emotional state is a dictionary of words used to describe emotion together with the probability of the word appearing after a prompt comprising the original text and an emotion eliciting tail. Through emotion analysis of Amazon product reviews we demonstrate emotion descriptors can be mapped into a PCA type space. It was hoped that text descriptions of actions to improve a current text described state could also be elicited through a tail prompt. Experiment seemed to indicate that this is not straightforward to make work. This failure put our hoped for selection of action via choosing the best predict ed outcome via comparing emotional responses out of reach for the moment.

Direct Preference Optimisation (DPO) is effective at significantly improving the performance of large language models (LLMs) on downstream tasks such as reasoning, summarisation, and alignment. Using pairs of preferred and dispreferred data, DPO models the relative probability of picking one response over another. In this work, first we show theoretically that the standard DPO loss can lead to a reduction of the model's likelihood of the preferred examples, as long as the relative probability between the preferred and dispreferred classes increases. We then show empirically that this phenomenon occurs when fine-tuning LLMs on common datasets, especially datasets in which the edit distance between pairs of completions is low. Using these insights, we design DPO-Positive (DPOP), a new loss function and training procedure which avoids this failure mode. Surprisingly, we also find that DPOP significantly outperforms DPO across a wide variety of datasets and downstream tasks, including datasets with high edit distances between completions. By fine-tuning with DPOP, we create and release Smaug-34B and Smaug-72B, which achieve state-of-the-art open-source performance. Notably, Smaug-72B is nearly 2\% better than any other open-source model on the HuggingFace Open LLM Leaderboard and becomes the first open-source LLM to surpass an average accuracy of 80\%.

Hypernetwork-based methods such as Doc-to-LoRA internalize a document into an LLM's weights in a single forward pass, but they fail systematically on conflicts: when the document contradicts pretraining knowledge, accuracy collapses to 46.4% on the deepest facts. We show the failure is a magnitude problem rather than a representational one. The hypernetwork already targets the right layers, but its adapter margin is approximately constant across documents while the pretrained margin grows with training frequency, so deep conflicts lose by construction. The account predicts that failure should track prior strength: sorting 194 conflicts by the base model's log-probability on the contradicted fact, baseline accuracy falls from 68% on weak-prior questions to 16% on strong-prior ones, a 52 percentage-point gap. The cure is amplitude. Selective Layer Boosting scales the adapter at its top-norm layers, and Conflict-Aware Internalization triggers boosting only when the base model is confident. Both are training-free; together they raise deep-conflict accuracy from 46.4% to 71.0% on Gemma-2B and from 53.6% to 72.5% on Mistral-7B while preserving novel-knowledge recall, and beat vanilla retrieval-augmented generation on medium conflicts by 18 percentage points despite operating entirely in parameter space. We release KID-Bench, a 489-question benchmark that separates novel recall, cross-knowledge combination, and prior-graded conflicts.

Since large language models have approached human-level performance on many tasks, it has become increasingly harder for researchers to find tasks that are still challenging to the models. Failure cases usually come from the long-tail distribution - data that an oracle language model could assign a probability on the lower end of its distribution. Current methodology such as prompt engineering or crowdsourcing are insufficient for creating long-tail examples because humans are constrained by cognitive bias. We propose a Logic-Induced-Knowledge-Search (LINK) framework for systematically generating long-tail knowledge statements. Grounded by a symbolic rule, we search for long-tail values for each variable of the rule by first prompting a LLM, then verifying the correctness of the values with a critic, and lastly pushing for the long-tail distribution with a reranker. With this framework we construct a dataset, Logic-Induced-Long-Tail (LINT), consisting of 200 symbolic rules and 50K knowledge statements spanning across four domains. Human annotations find that 84% of the statements in LINT are factually correct. In contrast, ChatGPT and GPT4 struggle with directly generating long-tail statements under the guidance of logic rules, each only getting 56% and 78% of their statements correct. Moreover, their "long-tail" generations in fact fall into the higher likelihood range, and thus are not really long-tail. Our findings suggest that LINK is effective for generating data in the long-tail distribution while enforcing quality. LINT can be useful for systematically evaluating LLMs' capabilities in the long-tail distribution. We challenge the models with a simple entailment classification task using samples from LINT. We find that ChatGPT and GPT4's capability in identifying incorrect knowledge drop by ~3% in the long-tail distribution compared to head distribution.

Transferring reasoning capabilities from larger language models to smaller ones through supervised fine-tuning often fails counterintuitively, with performance degrading despite access to high-quality teacher demonstrations. We identify that this failure stems from distributional misalignment: reasoning traces from larger models contain tokens that are low probability under the student's distribution, exceeding the internal representation capacity of smaller architectures and creating learning barriers rather than helpful guidance. We propose Reverse Speculative Decoding (RSD), a mechanism for generating student-friendly reasoning traces in which the teacher model proposes candidate tokens but the student model determines acceptance based on its own probability distributions, filtering low probability tokens. When applied to Qwen3-0.6B, direct distillation of s1K-1.1 reasoning trace data degrades average performance across major reasoning benchmarks by 20.5\%, while the same model trained on RSD-generated reasoning traces achieves meaningful improvements of 4.9\%. Our analysis reveals that low probability tokens constitute the critical bottleneck in reasoning ability transfer. However, cross-model experiments demonstrate that RSD traces are model-specific rather than universally applicable, indicating that distributional alignment must be tailored for each student architecture's unique internal representation.

State-of-the-art large language model (LLM) pipelines rely on bootstrapped reasoning loops: sampling diverse chains of thought and reinforcing the highest-scoring ones, mainly optimizing correctness. We analyze how this design choice is sensitive to the collapse of the model's distribution over reasoning paths, slashing semantic entropy and undermining creative problem-solving. To analyze this failure, we introduce Distributional Creative Reasoning (DCR), a unified variational objective that casts training as gradient flow through probability measures on solution traces. STaR, GRPO, and DPO, as well as entropy bonuses, and other methods, all constitute special cases of the same loss. The framework delivers three core results: (i) the diversity decay theorem, describing how correctness-based objectives lead to distinct modes of diversity decay for STaR, GRPO, and DPO; (ii) designs that ensure convergence to a stable and diverse policy, effectively preventing collapse; and (iii) simple, actionable recipes to achieve this in practice. DCR thus offers the first principled recipe for LLMs that remain both correct and creative.

We present ArtifactNet, a lightweight framework that detects AI-generated music by reframing the problem as forensic physics -- extracting and analyzing the physical artifacts that neural audio codecs inevitably imprint on generated audio. A bounded-mask UNet (ArtifactUNet, 3.6M parameters) extracts codec residuals from magnitude spectrograms, which are then decomposed via HPSS into 7-channel forensic features for classification by a compact CNN (0.4M parameters; 4.0M total). We introduce ArtifactBench, a multi-generator evaluation benchmark comprising 6,183 tracks (4,383 AI from 22 generators and 1,800 real from 6 diverse sources). Each track is tagged with bench_origin for fair zero-shot evaluation. On the unseen test partition (n=2,263), ArtifactNet achieves F1 = 0.9829 with FPR = 1.49%, compared to CLAM (F1 = 0.7576, FPR = 69.26%) and SpecTTTra (F1 = 0.7713, FPR = 19.43%) evaluated under identical conditions with published checkpoints. Codec-aware training (4-way WAV/MP3/AAC/Opus augmentation) further reduces cross-codec probability drift by 83% (Delta = 0.95 -> 0.16), resolving the primary codec-invariance failure mode. These results establish forensic physics -- direct extraction of codec-level artifacts -- as a more generalizable and parameter-efficient paradigm for AI music detection than representation learning, using 49x fewer parameters than CLAM and 4.8x fewer than SpecTTTra.

Given a prefix (context), open-ended generation aims to decode texts that are coherent, which do not abruptly drift from previous topics, and informative, which do not suffer from undesired repetitions. In this paper, we propose Look-back, an improved decoding algorithm that leverages the Kullback-Leibler divergence to track the distribution distance between current and historical decoding steps. Thus Look-back can automatically predict potential repetitive phrase and topic drift, and remove tokens that may cause the failure modes, restricting the next token probability distribution within a plausible distance to the history. We perform decoding experiments on document continuation and story generation, and demonstrate that Look-back is able to generate more fluent and coherent text, outperforming other strong decoding methods significantly in both automatic and human evaluations.

Mathematical reasoning---a core ability within human intelligence---presents some unique challenges as a domain: we do not come to understand and solve mathematical problems primarily on the back of experience and evidence, but on the basis of inferring, learning, and exploiting laws, axioms, and symbol manipulation rules. In this paper, we present a new challenge for the evaluation (and eventually the design) of neural architectures and similar system, developing a task suite of mathematics problems involving sequential questions and answers in a free-form textual input/output format. The structured nature of the mathematics domain, covering arithmetic, algebra, probability and calculus, enables the construction of training and test splits designed to clearly illuminate the capabilities and failure-modes of different architectures, as well as evaluate their ability to compose and relate knowledge and learned processes. Having described the data generation process and its potential future expansions, we conduct a comprehensive analysis of models from two broad classes of the most powerful sequence-to-sequence architectures and find notable differences in their ability to resolve mathematical problems and generalize their knowledge.

The task of out-of-distribution (OOD) detection is notoriously ill-defined. Earlier works focused on new-class detection, aiming to identify label-altering data distribution shifts, also known as "semantic shift." However, recent works argue for a focus on failure detection, expanding the OOD evaluation framework to account for label-preserving data distribution shifts, also known as "covariate shift." Intriguingly, under this new framework, complex OOD detectors that were previously considered state-of-the-art now perform similarly to, or even worse than the simple maximum softmax probability baseline. This raises the question: what are the latest OOD detectors actually detecting? Deciphering the behavior of OOD detection algorithms requires evaluation datasets that decouples semantic shift and covariate shift. To aid our investigations, we present ImageNet-OOD, a clean semantic shift dataset that minimizes the interference of covariate shift. Through comprehensive experiments, we show that OOD detectors are more sensitive to covariate shift than to semantic shift, and the benefits of recent OOD detection algorithms on semantic shift detection is minimal. Our dataset and analyses provide important insights for guiding the design of future OOD detectors.

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

Combined electric power system and High-Altitude Electromagnetic Pulse (HEMP) models are being developed to determine the effect of a HEMP on the US power grid. The work relies primarily on deterministic methods; however, it is computationally untenable to evaluate the E1 HEMP response of large numbers of grid components distributed across a large interconnection. Further, the deterministic assessment of these components' failures are largely unachievable. E1 HEMP laboratory testing of the components is accomplished, but is expensive, leaving few data points to construct failure models of grid components exposed to E1 HEMP. The use of Bayesian priors, developed using the subject matter expertise, combined with the minimal test data in a Bayesian inference process, provides the basis for the development of more robust and cost-effective statistical component failure models. These can be used with minimal computational burden in a simulation environment such as sampling of Cumulative Distribution Functions (CDFs).

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

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

When a phone-use agent avoids harm, does that show safety, or simply inability to act? Existing evaluations often cannot tell. A harmful outcome may be avoided because the agent recognized the risk and chose the safe action, or because it failed to understand the screen or execute any relevant action at all. These cases have different causes and call for different fixes, yet current benchmarks often merge them under task success, refusal, or final harmful outcome. We address this problem with PhoneSafety, a benchmark of 700 safety-critical moments drawn from real phone interactions across more than 130 apps. Each instance isolates the next decision at a risky moment and asks a simple question: does the model take the safe action, take the unsafe action, or fail to do anything useful? We evaluate eight representative phone-use agents under this framework. Our results reveal two main patterns. First, stronger general phone-use ability does not reliably imply safer choices at risky moments. Models that perform better on ordinary app tasks are not always the ones that behave more safely when the next action matters. Second, failures to do anything useful behave like a capability signal rather than a safety signal: they are concentrated in more visually and operationally demanding settings and remain stable when the evaluation protocol changes. Across models, failures split into two recurring patterns: unsafe choices in settings where the model can act but chooses wrongly, and inability to act in more visually and operationally demanding screens. Overall, a harmless outcome is not enough to count as evidence of safety. Evaluating phone-use agents requires separating unsafe judgment from inability to act.

Reward modeling (RM), which captures human preferences to align large language models (LLMs), is increasingly employed in tasks such as model finetuning, response filtering, and ranking. However, due to the inherent complexity of human preferences and the limited coverage of available datasets, reward models often fail under distributional shifts or adversarial perturbations. Existing approaches for identifying such failure modes typically rely on prior knowledge about preference distributions or failure attributes, limiting their practicality in real-world settings where such information is unavailable. In this work, we propose a tractable, preference-distribution agnostic method for discovering reward model failure modes via reward guided controlled decoding. Building on this, we introduce REFORM, a self-improving reward modeling framework that enhances robustness by using the reward model itself to guide the generation of falsely scored responses. These adversarial examples are then used to augment the training data and patch the reward model's misaligned behavior. We evaluate REFORM on two widely used preference datasets Anthropic Helpful Harmless (HH) and PKU Beavertails and demonstrate that it significantly improves robustness without sacrificing reward quality. Notably, REFORM preserves performance both in direct evaluation and in downstream policy training, and further improves alignment quality by removing spurious correlations.

Survival analysis is the problem of estimating probability distributions for future event times, which can be seen as a problem in uncertainty quantification. Although there are fundamental theories on strictly proper scoring rules for uncertainty quantification, little is known about those for survival analysis. In this paper, we investigate extensions of four major strictly proper scoring rules for survival analysis and we prove that these extensions are proper under certain conditions, which arise from the discretization of the estimation of probability distributions. We also compare the estimation performances of these extended scoring rules by using real datasets, and the extensions of the logarithmic score and the Brier score performed the best.

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

Language models are increasingly capable and are being rapidly deployed on a population-level scale. As a result, the safety of these models is increasingly high-stakes. Fortunately, advances in alignment have significantly reduced the likelihood of harmful model outputs. However, when models are queried billions of times in a day, even rare worst-case behaviors will occur. Current safety evaluations focus on capturing the distribution of inputs that yield harmful outputs. These evaluations disregard the probabilistic nature of models and their tail output behavior. To measure this tail risk, we propose a method to efficiently estimate the probability of harmful outputs for any input query. Instead of naive brute-force sampling from the target model, where harmful outputs could be rare, we operationalize importance sampling by creating unsafe versions of the target model. These unsafe versions enable sample-efficient estimation by making harmful outputs more probable. On benchmarks measuring misuse and misalignment, these estimates match brute-force Monte Carlo estimates using 10-20x fewer samples. For example, we can estimate probability of harmful outputs on the order of 10^-4 with just 500 samples. Additionally, we find that these harmfulness estimates can reveal the sensitivity of models to perturbations in model input and predict deployment risks. Our work demonstrates that accurate rare-event estimation is both critical and feasible for safety evaluations. Code is available at https://github.com/rangell/LMTailRisk

The widespread adoption of large language models (LLMs) makes it important to recognize their strengths and limitations. We argue that in order to develop a holistic understanding of these systems we need to consider the problem that they were trained to solve: next-word prediction over Internet text. By recognizing the pressures that this task exerts we can make predictions about the strategies that LLMs will adopt, allowing us to reason about when they will succeed or fail. This approach - which we call the teleological approach - leads us to identify three factors that we hypothesize will influence LLM accuracy: the probability of the task to be performed, the probability of the target output, and the probability of the provided input. We predict that LLMs will achieve higher accuracy when these probabilities are high than when they are low - even in deterministic settings where probability should not matter. To test our predictions, we evaluate two LLMs (GPT-3.5 and GPT-4) on eleven tasks, and we find robust evidence that LLMs are influenced by probability in the ways that we have hypothesized. In many cases, the experiments reveal surprising failure modes. For instance, GPT-4's accuracy at decoding a simple cipher is 51% when the output is a high-probability word sequence but only 13% when it is low-probability. These results show that AI practitioners should be careful about using LLMs in low-probability situations. More broadly, we conclude that we should not evaluate LLMs as if they are humans but should instead treat them as a distinct type of system - one that has been shaped by its own particular set of pressures.

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

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

Although the existing causal inference literature focuses on the forward-looking perspective by estimating effects of causes, the backward-looking perspective can provide insights into causes of effects. In backward-looking causal inference, the probability of necessity measures the probability that a certain event is caused by the treatment given the observed treatment and outcome. Most existing results focus on binary outcomes. Motivated by applications with ordinal outcomes, we propose a general definition of the probability of necessity. However, identifying the probability of necessity is challenging because it involves the joint distribution of the potential outcomes. We propose a novel assumption of monotonic incremental treatment effect to identify the probability of necessity with ordinal outcomes. We also discuss the testable implications of this key identification assumption. When it fails, we derive explicit formulas of the sharp large-sample bounds on the probability of necessity.

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

When considering the accuracy of sensors in an automated vehicle (AV), it is not sufficient to evaluate the performance of any given sensor in isolation. Rather, the performance of any individual sensor must be considered in the context of the overall system design. Techniques like redundancy and different sensing modalities can reduce the chances of a sensing failure. Additionally, the use of safety models is essential to understanding whether any particular sensing failure is relevant. Only when the entire system design is taken into account can one properly understand the meaning of safety-relevant sensing failures in an AV. In this paper, we will consider what should actually constitute a sensing failure, how safety models play an important role in mitigating potential failures, how a system-level approach to safety will deliver a safe and scalable AV, and what an acceptable sensing failure rate should be considering the full picture of an AV's architecture.

Robust robotic manipulation requires reliable failure detection and recovery. Although recent Vision-Language Models (VLMs) show promise in robot failure detection, their generalization is severely limited by the scarcity and narrow coverage of failure data. To address this bottleneck, we propose an automatic framework for generating diverse robotic planning and execution failures across both simulated and real-world environments. Our approach perturbs successful manipulation trajectories to synthesize failures that reflect realistic failure distributions, and leverages VLMs to produce structured step-by-step reasoning traces. This yields FailCoT, a large-scale failure reasoning dataset built upon the RLBench simulator and the BridgeDataV2 real-robot dataset. Using FailCoT, we train Guardian, a multi-view reasoning VLM for unified planning and execution verification. Guardian achieves state-of-the-art performance on three unseen real-world benchmarks: RoboFail, RoboVQA, and our newly introduced UR5-Fail. When integrated with a state-of-the-art LLM-based manipulation policy, it consistently boosts task success rates in both simulation and real-world deployment. These results demonstrate that scaling high-quality failure reasoning data is critical for improving generalization in robotic failure detection. Code, Data, and Models available at https://www.di.ens.fr/willow/research/guardian/.

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

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

Artificial intelligence is an emerging topic and will soon be able to perform decisions better than humans. In more complex and creative contexts such as innovation, however, the question remains whether machines are superior to humans. Machines fail in two kinds of situations: processing and interpreting soft information (information that cannot be quantified) and making predictions in unknowable risk situations of extreme uncertainty. In such situations, the machine does not have representative information for a certain outcome. Thereby, humans are still the gold standard for assessing soft signals and make use of intuition. To predict the success of startups, we, thus, combine the complementary capabilities of humans and machines in a Hybrid Intelligence method. To reach our aim, we follow a design science research approach to develop a Hybrid Intelligence method that combines the strength of both machine and collective intelligence to demonstrate its utility for predictions under extreme uncertainty.

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

Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be evaluated. The computational overhead in the hyperparameter optimization can, however, be large and make the approach inefficient. Failures can also occur if the search ventures too far into regions that are not represented well enough by the GP model. Here, these challenges are resolved by using geometry-aware optimal transport measures and an active pruning strategy using a summation over Wasserstein-1 distances for each atom-type in farthest-point sampling, selecting a fixed-size subset of geometrically diverse configurations to avoid rapidly increasing cost of GP updates as more observations are made. Stability is enhanced by permutation-invariant metric that provides a reliable trust radius for early-stopping and a logarithmic barrier penalty for the growth of the signal variance. These physically motivated algorithmic changes prove their efficacy by reducing to less than a half the mean computational time on a set of 238 challenging configurations from a previously published data set of chemical reactions. With these improvements, the GP approach is established as, a robust and scalable algorithm for accelerating saddle point searches when the evaluation of the energy and atomic forces requires significant computational effort.

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

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

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

Recent advances in robotic manipulation have integrated low-level robotic control into Vision-Language Models (VLMs), extending them into Vision-Language-Action (VLA) models. Although state-of-the-art VLAs achieve strong performance in downstream robotic applications, supported by large-scale crowd-sourced robot training data, they still inevitably encounter failures during execution. Enabling robots to reason and recover from unpredictable and abrupt failures remains a critical challenge. Existing robotic manipulation datasets, collected in either simulation or the real world, primarily provide only ground-truth trajectories, leaving robots unable to recover once failures occur. Moreover, the few datasets that address failure detection typically offer only textual explanations, which are difficult to utilize directly in VLA models. To address this gap, we introduce FailSafe, a novel failure generation and recovery system that automatically produces diverse failure cases paired with executable recovery actions. FailSafe can be seamlessly applied to any manipulation task in any simulator, enabling scalable creation of failure action data. To demonstrate its effectiveness, we fine-tune LLaVa-OneVision-7B (LLaVa-OV-7B) to build FailSafe-VLM. Experimental results show that FailSafe-VLM successfully helps robotic arms detect and recover from potential failures, improving the performance of three state-of-the-art VLA models (pi0-FAST, OpenVLA, OpenVLA-OFT) by up to 22.6% on average across several tasks in Maniskill. Furthermore, FailSafe-VLM could generalize across different spatial configurations, camera viewpoints, object and robotic embodiments. We plan to release the FailSafe code to the community.

As AI becomes more capable, we entrust it with more general and consequential tasks. The risks from failure grow more severe with increasing task scope. It is therefore important to understand how extremely capable AI models will fail: Will they fail by systematically pursuing goals we do not intend? Or will they fail by being a hot mess, and taking nonsensical actions that do not further any goal? We operationalize this question using a bias-variance decomposition of the errors made by AI models: An AI's incoherence on a task is measured over test-time randomness as the fraction of its error that stems from variance rather than bias in task outcome. Across all tasks and frontier models we measure, the longer models spend reasoning and taking actions, the more incoherent their failures become. Incoherence changes with model scale in a way that is experiment dependent. However, in several settings, larger, more capable models are more incoherent than smaller models. Consequently, scale alone seems unlikely to eliminate incoherence. Instead, as more capable AIs pursue harder tasks, requiring more sequential action and thought, our results predict failures to be accompanied by more incoherent behavior. This suggests a future where AIs sometimes cause industrial accidents (due to unpredictable misbehavior), but are less likely to exhibit consistent pursuit of a misaligned goal. This increases the relative importance of alignment research targeting reward hacking or goal misspecification.

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

Autonomous 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.

A prevalent assumption in LLM agent deployment holds that more structured harnesses universally improve reliability, and that higher-capability models need proportionally less structural guidance -- together implying a monotone inverse relationship between model capability tier and optimal harness complexity. We test this hypothesis through a controlled 432-run experiment crossing six models across four capability tiers with three harness conditions (light, balanced, strict) on HEAT-24, a 24-task synthetic benchmark with git-based workspace verification. Our results refute the monotone inverse relationship on two fronts. First, for the frontier chat model evaluated (Gemini 2.5 Flash), increased harness verbosity lowers VTSR by 29-38 percentage points -- a harness-complexity paradox. Second, for the frontier reasoning model evaluated (Qwen3.5-122B, extended thinking enabled), strict harness achieves the highest VTSR (91.7%) and the lowest latency, the opposite of the prediction. Within the constrained tier, a 2B model (Gemma4:e2B) matches strong-open-tier stability at 91.7% across all harnesses. Because each tier is represented by a single model in this study, these results should be interpreted as model-specific observations; harness sensitivity appears non-monotone across the models evaluated, and depends critically on model type (chat vs. reasoning). We introduce a six-label failure taxonomy showing that format_violation dominates capable-model failures while wrong_file dominates low-capability failures, and we derive practical tier-aware harness selection guidelines.

When an LLM agent reads a confidential file, then writes a summary, then emails it externally, no single step is unsafe, but the sequence is a data leak. We call this safety drift: individually safe actions compounding into violations. Prior work has measured this problem; we predict it. SafetyDrift models agent safety trajectories as absorbing Markov chains, computing the probability that a trajectory will reach a violation within a given number of steps via closed form absorption analysis. A consequence of the monotonic state design is that every agent will eventually violate safety if left unsupervised (absorption probability 1.0 from all states), making the practical question not if but when, and motivating our focus on finite horizon prediction. Across 357 traces spanning 40 realistic tasks in four categories, we discover that "points of no return" are sharply task dependent: in communication tasks, agents that reach even a mild risk state have an 85% chance of violating safety within five steps, while in technical tasks the probability stays below 5% from any state. A lightweight monitor built on these models detects 94.7% of violations with 3.7 steps of advance warning at negligible computational cost, outperforming both keyword matching (44.7% detection, 55.9% false positive rate) and per step LLM judges (52.6% detection, 38.2% false positive rate) while running over 60,000x faster.

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

The increasing population of objects in geostationary orbit has raised concerns about the potential risks posed by debris clouds resulting from fragmentation. The short-term evolution and associated hazards of debris generated by collisions in the geostationary region is investigated in this study. The initial distribution of two debris clouds is modeled using a single probability density function.The combined distribution of the evolved clouds is determined by solving boundary value problems.The risks associated with these debris clouds are evaluated by calculating the instantaneous impact rate and cumulative collision probability.The probability of collisions with millimeter-sized fragments may increase to 1% within 36 hours, while the probability of collisions with fragments 5 cm or larger is approximately 10^{-5}.These findings underscore the vulnerability of the geostationary region to space traffic accidents.

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

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

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

Process Reward Models (PRMs) provide step-level feedback for reasoning, but current PRMs usually output only a single reward score for each step. Downstream methods must therefore treat imperfect step-level reward predictions as reliable decision signals, with no indication of when these predictions should be trusted. We propose BetaPRM, a distributional PRM that predicts both a step-level success probability and the reliability of that prediction. Given step-success supervision from Monte Carlo continuations, BetaPRM learns a Beta belief that explains the observed number of successful continuations through a Beta-Binomial likelihood, rather than regressing to the finite-sample success ratio as a point target. This learned reliability signal indicates when a step reward should be trusted, enabling downstream applications to distinguish reliable rewards from uncertain ones. As one application, we introduce Adaptive Computation Allocation (ACA) for PRM-guided Best-of-N reasoning. ACA uses the learned reliability signal to stop when a high-reward solution is reliable and to spend additional computation on uncertain candidate prefixes. Experiments across four backbones and four reasoning benchmarks show that BetaPRM improves PRM-guided Best-of-N selection while preserving standard step-level error detection. Built on this signal, ACA improves the accuracy--token tradeoff over fixed-budget Best-of-16, reducing token usage by up to 33.57% while improving final-answer accuracy.

Rigorous statistical evaluations of large language models (LLMs), including valid error bars and significance testing, are essential for meaningful and reliable performance assessment. Currently, when such statistical measures are reported, they typically rely on the Central Limit Theorem (CLT). In this position paper, we argue that while CLT-based methods for uncertainty quantification are appropriate when benchmarks consist of thousands of examples, they fail to provide adequate uncertainty estimates for LLM evaluations that rely on smaller, highly specialized benchmarks. In these small-data settings, we demonstrate that CLT-based methods perform very poorly, usually dramatically underestimating uncertainty (i.e. producing error bars that are too small). We give recommendations for alternative frequentist and Bayesian methods that are both easy to implement and more appropriate in these increasingly common scenarios. We provide a simple Python library for these Bayesian methods at https://github.com/sambowyer/bayes_evals .

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

Collecting high-quality training examples for language model fine-tuning is expensive, with practical budgets limiting the amount of data that can be procured. We investigate whether example difficulty affects GRPO training effectiveness by comparing selection strategies (easy, medium, hard, random) across multiple models and reasoning tasks. Training on the hardest 10\% of examples (those where the base model fails most often) yields dramatic performance gains up to 47\%, while easy examples produce minimal improvements of 3-15\%. This occurs because GRPO requires outcome variance to generate learning signals; hard examples maintain mixed success/failure outcomes throughout training while easy examples quickly converge to consistent success, eliminating learning opportunities. Moreover, models trained on hard examples show superior out-of-distribution generalization, with only hard-trained models achieving meaningful gains on the AIME2025 benchmark. Our findings provide clear guidance: when budget-constrained, prioritize collecting and annotating examples where your base model struggles, as these drive nearly all learning value in GRPO fine-tuning

There has been increasing interest in modeling survival data using deep learning methods in medical research. In this paper, we proposed a Bayesian hierarchical deep neural networks model for modeling and prediction of survival data. Compared with previously studied methods, the new proposal can provide not only point estimate of survival probability but also quantification of the corresponding uncertainty, which can be of crucial importance in predictive modeling and subsequent decision making. The favorable statistical properties of point and uncertainty estimates were demonstrated by simulation studies and real data analysis. The Python code implementing the proposed approach was provided.

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

High-precision modeling of systems is one of the main areas of industrial data analysis. Models of systems, their digital twins, are used to predict their behavior under various conditions. We have developed several models of a storage system using machine learning-based generative models. The system consists of several components: hard disk drive (HDD) and solid-state drive (SSD) storage pools with different RAID schemes and cache. Each storage component is represented by a probabilistic model that describes the probability distribution of the component performance in terms of IOPS and latency, depending on their configuration and external data load parameters. The results of the experiments demonstrate the errors of 4-10 % for IOPS and 3-16 % for latency predictions depending on the components and models of the system. The predictions show up to 0.99 Pearson correlation with Little's law, which can be used for unsupervised reliability checks of the models. In addition, we present novel data sets that can be used for benchmarking regression algorithms, conditional generative models, and uncertainty estimation methods in machine learning.

Large Language Models (LLMs) are employed across various high-stakes domains, where the reliability of their outputs is crucial. One commonly used method to assess the reliability of LLMs' responses is uncertainty estimation, which gauges the likelihood of their answers being correct. While many studies focus on improving the accuracy of uncertainty estimations for LLMs, our research investigates the fragility of uncertainty estimation and explores potential attacks. We demonstrate that an attacker can embed a backdoor in LLMs, which, when activated by a specific trigger in the input, manipulates the model's uncertainty without affecting the final output. Specifically, the proposed backdoor attack method can alter an LLM's output probability distribution, causing the probability distribution to converge towards an attacker-predefined distribution while ensuring that the top-1 prediction remains unchanged. Our experimental results demonstrate that this attack effectively undermines the model's self-evaluation reliability in multiple-choice questions. For instance, we achieved a 100 attack success rate (ASR) across three different triggering strategies in four models. Further, we investigate whether this manipulation generalizes across different prompts and domains. This work highlights a significant threat to the reliability of LLMs and underscores the need for future defenses against such attacks. The code is available at https://github.com/qcznlp/uncertainty_attack.

We set out to train behavioral dispositions (self-verification, uncertainty acknowledgment, feedback integration) into small language models (0.6B to 2.3B effective parameters) through a four-stage all-MIT distillation pipeline, with follow-on experiments on inference-time attention-head interventions and a frozen-base confidence-gated sidecar. An internal draft reported +33.9-point MCAS and +15.3-point HumanEval gains on a Qwen3-0.6B student; a second-pass sanity check falsified both numbers before publication. The HumanEval delta was a truncation artifact (n_predict=512) that inverted to -8.0 points at n_predict=1024; the MCAS gain disappeared under apples-to-apples scoring. That falsification triggered three subsequent arcs. Across (1) SFT/DPO LoRA on three model families and two domains, (2) inference-time attention-head tempering on o_proj, and (3) a training-free frozen-base sidecar reading the final-token hidden state h_last, we find no operator that moves judge-measured disposition without damaging content or collapsing into stylistic mimicry. The failure is consistent across five models (Qwen3-0.6B, Qwen3-1.7B, Qwen3.5-0.8B, Gemma 4 E2B, and SmolLM2-1.7B-Instruct). A within-distribution cross-validation pass (AUC=0.683) collapsed to chance on fresh prompts (AUC=0.516). We contribute a three-arc negative result with mechanism, a two-failure-mode taxonomy for linear h_last probes, and an honest falsification pipeline that converts the class of false positives we ourselves produced into publishable negatives. As an independent finding, Gemma 4 E2B exhibits near-complete confidence-correctness decoupling on the Chef domain (assertion asymmetry -0.009; the model asserts at 91% regardless of correctness).

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.

AI systems fail silently far more often than they fail visibly. In an analysis of 100K human-AI interactions from the WildChat dataset, we find that 79% of AI failures are invisible: something went wrong but the user gave no overt indication that there was a problem. These invisible failures cluster into eight archetypes that help us characterize where and how AI systems are failing to meet users' needs. In addition, the archetypes show systematic co-occurrence patterns indicating higher-level failure types. To address the question of whether these archetypes will remain relevant as AI systems become more capable, we also created and annotated a counterfactual dataset in which WildChat's 2024-era responses are replaced by those from three present-day frontier LMs. This analysis indicates that failure rates have dropped substantially, but that the vast majority of failures remain invisible in our sense, and the distribution of failure archetypes seems stable. Finally, we illustrate how the archetypes help us to identify systematic and variable AI limitations across different usage domains. Overall, we argue that our invisible failure taxonomy can be a key component in reliable failure monitoring for product developers, scientists, and policy makers. Our code and data are available at https://github.com/bigspinai/bigspin-invisible-failure-archetypes

We introduce a general, flexible, parametric survival modelling framework which encompasses key shapes of hazard function (constant, increasing, decreasing, up-then-down, down-then-up), various common survival distributions (log-logistic, Burr type XII, Weibull, Gompertz), and includes defective distributions (i.e., cure models). This generality is achieved using four basic distributional parameters: two scale-type parameters and two shape parameters. Generalising to covariate dependence, the scale-type regression components correspond to accelerated failure time (AFT) and proportional hazards (PH) models. Therefore, this general formulation unifies the most popular survival models which allows us to consider the practical value of possible modelling choices for survival data. Furthermore, in line with our proposed flexible baseline distribution, we advocate the use of multi-parameter regression in which more than one distributional parameter depends on covariates - rather than the usual convention of having a single covariate-dependent (scale) parameter. While many choices are available, we suggest introducing covariates through just one or other of the two scale parameters, which covers AFT and PH models, in combination with a `power' shape parameter, which allows for more complex non-AFT/non-PH effects, while the other shape parameter remains covariate-independent, and handles automatic selection of the baseline distribution. We explore inferential issues in simulations, both with and without a covariate, with particular focus on evidence concerning the need, or otherwise, to include both AFT and PH parameters. We illustrate the efficacy of our modelling framework by investigating differences between treatment groups using data from a lung cancer study and a melanoma study. Censoring is accommodated throughout.

Generative sequence models are often trained to plan motion in physical domains, from robotics to mechanical simulations. When constructing a dataset to train such a model, engineers may curate demonstrations to specify how trajectories should be distributed over a physical quantity like travel distance or mechanical energy. For example, a roboticist building a maze navigation agent might choose demonstrations whose travel distances cover a fixed range uniformly, hoping to constrain the agent's expected power usage. We find that standard deep learning can violate this intent: each generated trajectory can seem plausible on its own, but the aggregate distribution over the physical quantity is wrong. We call this failure physical misgeneralization, and develop an account of its mechanism. Using controlled synthetic tasks, we show that physical misgeneralization arises when local errors typical of the model class propagate through the physical measurement to shift the recovered distribution. We estimate these errors with a data deviation kernel, and we use it to predict which physical quantities gain or lose mass in both our synthetic and more applied maze navigation and double-pendulum motion tasks. Finally, our mechanistic interpretation helps identify which mitigation strategies are structurally promising, and we use it to propose a kernel-informed intervention.

Run the same LLM agent on the same task twice: do you get the same behavior? We find the answer is often no. In a study of 3,000 agent runs across three models (Llama 3.1 70B, GPT-4o, and Claude Sonnet 4.5) on HotpotQA, we observe that ReAct-style agents produce 2.0--4.2 distinct action sequences per 10 runs on average, even with identical inputs. More importantly, this variance predicts failure: tasks with consistent behavior (leq2 unique paths) achieve 80--92% accuracy, while highly inconsistent tasks (geq6 unique paths) achieve only 25--60%, a 32--55 percentage point gap depending on model. We trace variance to early decisions: 69% of divergence occurs at step 2, the first search query. Our results suggest that monitoring behavioral consistency during execution could enable early error detection and improve agent reliability.

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

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

Reinforcement learning drives recent advances in LLM reasoning and agentic capabilities, yet current approaches struggle with both exploration and exploitation. Exploration suffers from low success rates on difficult tasks and high costs of repeated rollouts from scratch. Exploitation suffers from coarse credit assignment and training instability: Trajectory-level rewards penalize valid prefixes for later errors, and failure-dominated groups overwhelm the few positive signals, leaving optimization without constructive direction. To this end, we propose R^3L, Reflect-then-Retry Reinforcement Learning with Language-Guided Exploration, Pivotal Credit, and Positive Amplification. To synthesize high-quality trajectories, R^3L shifts from stochastic sampling to active synthesis via reflect-then-retry, leveraging language feedback to diagnose errors, transform failed attempts into successful ones, and reduce rollout costs by restarting from identified failure points. With errors diagnosed and localized, Pivotal Credit Assignment updates only the diverging suffix where contrastive signals exist, excluding the shared prefix from gradient update. Since failures dominate on difficult tasks and reflect-then-retry produces off-policy data, risking training instability, Positive Amplification upweights successful trajectories to ensure positive signals guide the optimization process. Experiments on agentic and reasoning tasks demonstrate 5\% to 52\% relative improvements over baselines while maintaining training stability. Our code is released at https://github.com/shiweijiezero/R3L.

Large Language Models (LLMs) are being increasingly used in software engineering tasks, with an increased focus on bug report resolution over the past year. However, most proposed systems fail to properly handle uncertain or incorrect inputs and outputs. Existing LLM-based tools and coding agents respond to every issue and generate a patch for every case, even when the input is vague or their own output is incorrect. There are no mechanisms in place to abstain when confidence is low. This leads to unreliable behaviour, such as hallucinated code changes or responses based on vague issue reports. We introduce BouncerBench, a benchmark that evaluates whether LLM-based software agents can refuse to act when inputs are ill-defined or refuse to respond when their own outputs are likely to be incorrect. Unlike prior benchmarks that implicitly incentivize models to generate responses even when uncertain, BouncerBench aims to improve precision by targeting two overlooked failure points: (1) vague or underspecified issue descriptions in tickets and (2) logically or functionally incorrect code patches created by the system. It measures whether proposed systems can distinguish actionable issues from vague tickets and valid patches from untrustworthy ones. We also implement a basic input and output bouncer, evaluating how well current LLMs can abstain when needed. Our results show that most models fail to abstain from underspecified inputs or incorrect outputs. Hence, we conclude that there is significant room for improvement before LLMs can be trusted to make correct decisions and recommendations in real-world software engineering workflows. BouncerBench provides a first step toward evaluating and building more cautious, trustworthy code agents. The replication package, dataset, and leaderboard can be found at bouncerbench.com

Existing benchmarks for tool-using LLM agents primarily report single-run success rates and miss reliability properties required in production. We introduce ReliabilityBench, a benchmark for evaluating agent reliability across three dimensions: (i) consistency under repeated execution using pass^k, (ii) robustness to semantically equivalent task perturbations at intensity ε, and (iii) fault tolerance under controlled tool/API failures at intensity λ. ReliabilityBench contributes a unified reliability surface R(k,ε,λ), action metamorphic relations that define correctness via end-state equivalence rather than text similarity, and a chaos-engineering-style fault injection framework (timeouts, rate limits, partial responses, schema drift). We evaluate two models (Gemini 2.0 Flash, GPT-4o) and two agent architectures (ReAct, Reflexion) across four domains (scheduling, travel, customer support, e-commerce) over 1,280 episodes. Perturbations alone reduce success from 96.9% at ε=0 to 88.1% at ε=0.2. Rate limiting is the most damaging fault in ablations. ReAct is more robust than Reflexion under combined stress, and Gemini 2.0 Flash achieves comparable reliability to GPT-4o at much lower cost. ReliabilityBench provides a systematic framework for assessing production readiness of LLM agents.

Can small language models achieve strong tool-use performance without complex adaptation mechanisms? This paper investigates this question through Meta-Tool, a controlled empirical study comparing hypernetwork-based LoRA adaptation against carefully designed few-shot prompting. Using a Llama-3.2-3B-Instruct backbone, we evaluate four adaptation mechanisms--few-shot prompting, documentation encoding, hypernetwork-generated LoRA weights, and value-guided beam search--across four diverse benchmarks: Gorilla APIBench, Spider 2.0, WebArena, and InterCode. Our central finding is a well-supported negative result: despite generating non-trivial weight matrices, the 227.8M-parameter hypernetwork provides no measurable improvement over few-shot prompting alone. Comprehensive ablation studies reveal that few-shot examples contribute +21.5% to performance and documentation contributes +5.0%, while the hypernetwork adds 0%. A 3B model with well-designed prompts achieves 79.7% of GPT-5's average performance at 10 times lower latency. Error analysis across 722 failure cases spanning all shot counts (0--5) shows that at the 5-shot configuration (106 failures), failure modes are task-dependent: schema-heavy tasks (Spider 2.0, WebArena) show near-zero format errors with remaining failures semantic, while format errors dominate on Gorilla (100%) and InterCode (70%). These findings redirect practitioners toward prompt engineering and example curation rather than complex adaptation architectures.

Most learning algorithms with formal regret guarantees assume that no mistake is irreparable and essentially rely on trying all possible behaviors. This approach is problematic when some mistakes are catastrophic, i.e., irreparable. We propose an online learning problem where the goal is to minimize the chance of catastrophe. Specifically, we assume that the payoff in each round represents the chance of avoiding catastrophe that round and aim to maximize the product of payoffs (the overall chance of avoiding catastrophe) while allowing a limited number of queries to a mentor. We first show that in general, any algorithm either constantly queries the mentor or is nearly guaranteed to cause catastrophe. However, in settings where the mentor policy class is learnable in the standard online learning model, we provide an algorithm whose regret and rate of querying the mentor both approach 0 as the time horizon grows. Conceptually, if a policy class is learnable in the absence of catastrophic risk, it is learnable in the presence of catastrophic risk if the agent can ask for help.

Large language model-driven multi-agent systems (LLM-MAS) excel at complex tasks, yet unreliable agents remain a key bottleneck to system-level reliability. Automatic failure attribution is therefore critical, but existing approaches, such as direct prediction of agent-error pairs and agent-first failure attribution, rely on local logs of agents and miss global failures that only manifest over full interaction trajectories, such as cross-step inconsistencies and inter-agent coordination errors. Moreover, directly predicting failures induces a large combinatorial search space, hindering fine-grained attribution. To address these challenges, we propose VerifyMAS, a hypothesis verification framework for agent failure attribution. Instead of directly predicting faulty agents and error types, VerifyMAS formulates and verifies failure hypotheses against full trajectories. This verification-based approach decomposes attribution into trajectory-level error validation and fine-grained agent localization, providing an error-first attribution approach that captures global failure patterns while substantially reducing the search space. We further introduce a hypothesis-based data construction strategy grounded in a structured error taxonomy and fine-tune a specialized LLM verifier model for trajectory-level failure verification and agent attribution. Experiments on Aegis-Bench and Who&When show that VerifyMAS consistently improves diverse backbone models, including open-source Qwen and API-based GPT models, outperforming prior methods without sacrificing inference efficiency for long multi-agent trajectories.

Increasingly sophisticated mathematical modelling processes from Machine Learning are being used to analyse complex data. However, the performance and explainability of these models within practical critical systems requires a rigorous and continuous verification of their safe utilisation. Working towards addressing this challenge, this paper presents a principled novel safety argument framework for critical systems that utilise deep neural networks. The approach allows various forms of predictions, e.g., future reliability of passing some demands, or confidence on a required reliability level. It is supported by a Bayesian analysis using operational data and the recent verification and validation techniques for deep learning. The prediction is conservative -- it starts with partial prior knowledge obtained from lifecycle activities and then determines the worst-case prediction. Open challenges are also identified.

Can AI agents predict whether they will succeed at a task? We study agentic uncertainty by eliciting success probability estimates before, during, and after task execution. All results exhibit agentic overconfidence: some agents that succeed only 22% of the time predict 77% success. Counterintuitively, pre-execution assessment with strictly less information tends to yield better discrimination than standard post-execution review, though differences are not always significant. Adversarial prompting reframing assessment as bug-finding achieves the best calibration.

Given a black-box AI system and a task, at what confidence level can a practitioner trust the system's output? We answer with a reliability level -- a single number per system-task pair, derived from self-consistency sampling and conformal calibration, that serves as a black-box deployment gate with exact, finite-sample, distribution-free guarantees. Self-consistency sampling reduces uncertainty exponentially; conformal calibration guarantees correctness within 1/(n+1) of the target level, regardless of the system's errors -- made transparently visible through larger answer sets for harder questions. Weaker models earn lower reliability levels (not accuracy -- see Definition 2.4): GPT-4.1 earns 94.6% on GSM8K and 96.8% on TruthfulQA, while GPT-4.1-nano earns 89.8% on GSM8K and 66.5% on MMLU. We validate across five benchmarks, five models from three families, and both synthetic and real data. Conditional coverage on solvable items exceeds 0.93 across all configurations; sequential stopping reduces API costs by around 50%.

In physics and engineering literature, the distribution of the excursion-above-zero time distribution (exceedance distribution) for a stationary Gaussian process has been approximated by a stationary switching process with independently distributed switching times. The approach matched the covariance of the clipped Gaussian process with the one for the stationary switching process and the distribution of the latter was used as the so-called independent interval approximation (IIA). The approach successfully assessed the persistency exponent for many physically important processes but left an unanswered question when such an approach leads to a mathematically meaningful and proper exceedance distribution. Here we address this question by proposing an alternative matching of the expected values of the clipped Slepian process and the corresponding switched process initiated at the origin. The method has allowed resolving the mathematical correctness of the matching method for a large subclass of the Gaussian processes with monotonic covariance, for which we provide a sufficient condition for the validity of the IIA. Within this class, the IIA produces a valid distribution for the excursion time and is represented in an explicit stochastic form that connects directly to the covariance of the underlying Gaussian process. We compare the excursion level distributions as well as the corresponding persistency exponents obtained through the IIA method with numerically computed exact distributions, and the simulated distribution for several important Gaussian models. We also argue that for stationary Gaussian processes with a non-monotonic covariance, the IIA fails and should not be used.

Consistently checking the statistical significance of experimental results is one of the mandatory methodological steps to address the so-called "reproducibility crisis" in deep reinforcement learning. In this tutorial paper, we explain how the number of random seeds relates to the probabilities of statistical errors. For both the t-test and the bootstrap confidence interval test, we recall theoretical guidelines to determine the number of random seeds one should use to provide a statistically significant comparison of the performance of two algorithms. Finally, we discuss the influence of deviations from the assumptions usually made by statistical tests. We show that they can lead to inaccurate evaluations of statistical errors and provide guidelines to counter these negative effects. We make our code available to perform the tests.

The recent performance leap of Large Language Models (LLMs) opens up new opportunities across numerous industrial applications and domains. However, erroneous generations, such as false predictions, misinformation, and hallucination made by LLMs, have also raised severe concerns for the trustworthiness of LLMs', especially in safety-, security- and reliability-sensitive scenarios, potentially hindering real-world adoptions. While uncertainty estimation has shown its potential for interpreting the prediction risks made by general machine learning (ML) models, little is known about whether and to what extent it can help explore an LLM's capabilities and counteract its undesired behavior. To bridge the gap, in this paper, we initiate an exploratory study on the risk assessment of LLMs from the lens of uncertainty. In particular, we experiment with twelve uncertainty estimation methods and four LLMs on four prominent natural language processing (NLP) tasks to investigate to what extent uncertainty estimation techniques could help characterize the prediction risks of LLMs. Our findings validate the effectiveness of uncertainty estimation for revealing LLMs' uncertain/non-factual predictions. In addition to general NLP tasks, we extensively conduct experiments with four LLMs for code generation on two datasets. We find that uncertainty estimation can potentially uncover buggy programs generated by LLMs. Insights from our study shed light on future design and development for reliable LLMs, facilitating further research toward enhancing the trustworthiness of LLMs.

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

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

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

Tool-using automation systems, from scripts and CI bots to agentic assistants, fail in recurring patterns. Common failures include unsafe side effects, invalid arguments, uncontrolled retries, and leakage of sensitive outputs. Many mitigations are model-centric and prompt-dependent, so they are brittle and do not generalize to non-LLM callers. We present Policy-First Tooling, a model-agnostic permission layer that mediates tool invocation through explicit constraints, risk-aware gating, recovery controls, and auditable explanations. The paper contributes a compact policy DSL, a runtime enforcement architecture with actionable rationale and fix hints, and a reproducible benchmark based on trace replay with controlled fault and misuse injection. In 225 controlled runs across five policy packs and three fault profiles, stricter packs improve violation prevention from 0.000 in P0 to 0.681 in P4, while task success drops from 0.356 to 0.067. Retry amplification decreases from 3.774 in P0 to 1.378 in P4, and leakage recall reaches 0.875 under injected secret outputs. These results make safety to utility trade-offs explicit and measurable.

Mathematical reasoning models are widely deployed in education, automated tutoring, and decision support systems despite exhibiting fundamental computational instabilities. We demonstrate that state-of-the-art models (Qwen2.5-Math-7B) achieve 61% accuracy through a mixture of reliable and unreliable reasoning pathways: 18.4% of correct predictions employ stable, faithful reasoning while 81.6% emerge through computationally inconsistent pathways. Additionally, 8.8% of all predictions are silent failures -- confident yet incorrect outputs. Through comprehensive analysis using novel faithfulness metrics, we reveal: (1) reasoning quality shows weak negative correlation with correctness (r=-0.21, p=0.002), reflecting a binary classification threshold artifact rather than a monotonic inverse relationship; (2) scaling from 1.5B to 7B parameters (4.7x increase) provides zero accuracy benefit on our evaluated subset (6% of GSM8K), requiring validation on the complete benchmark; and (3) latent reasoning employs diverse computational strategies, with ~20% sharing CoT-like patterns. These findings highlight that benchmark accuracy can mask computational unreliability, demanding evaluation reforms measuring stability beyond single-sample metrics.

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

Large Reasoning Models (LRMs) have achieved remarkable success on reasoning-intensive tasks such as mathematics and programming. However, their enhanced reasoning capabilities do not necessarily translate to improved safety performance-and in some cases, may even degrade it. This raises an important research question: how can we enhance the safety of LRMs? In this paper, we present a comprehensive empirical study on how to enhance the safety of LRMs through Supervised Fine-Tuning (SFT). Our investigation begins with an unexpected observation: directly distilling safe responses from DeepSeek-R1 fails to significantly enhance safety. We analyze this phenomenon and identify three key failure patterns that contribute to it. We then demonstrate that explicitly addressing these issues during the data distillation process can lead to substantial safety improvements. Next, we explore whether a long and complex reasoning process is necessary for achieving safety. Interestingly, we find that simply using short or template-based reasoning process can attain comparable safety performance-and are significantly easier for models to learn than more intricate reasoning chains. These findings prompt a deeper reflection on the role of reasoning in ensuring safety. Finally, we find that mixing math reasoning data during safety fine-tuning is helpful to balance safety and over-refusal. Overall, we hope our empirical study could provide a more holistic picture on enhancing the safety of LRMs. The code and data used in our experiments are released in https://github.com/thu-coai/LRM-Safety-Study.

The study conducted by Shumailov et al. (2024) demonstrates that repeatedly training a generative model on synthetic data leads to model collapse. This finding has generated considerable interest and debate, particularly given that current models have nearly exhausted the available data. In this work, we investigate the effects of fitting a distribution (through Kernel Density Estimation, or KDE) or a model to the data, followed by repeated sampling from it. Our objective is to develop a theoretical understanding of the phenomenon observed by Shumailov et al. (2024). Our results indicate that the outcomes reported are a statistical phenomenon and may be unavoidable.

Effective reward design is a central challenge in Reinforcement Learning (RL) for code generation. Mainstream pass/fail outcome rewards enforce functional correctness via executing unit tests, but the resulting sparsity limits potential performance gains. While recent work has explored external Reward Models (RM) to generate richer, continuous rewards, the learned RMs suffer from reward misalignment and prohibitive computational cost. In this paper, we introduce VeRPO (Verifiable Dense Reward Policy Optimization), a novel RL framework for code generation that synthesizes robust and dense rewards fully grounded in verifiable execution feedback. The core idea of VeRPO is constructing dense rewards from weighted partial success: by dynamically estimating the difficulty weight of each unit test based on the execution statistics during training, a dense reward is derived from the sum of weights of the passed unit tests. To solidify the consistency between partial success and end-to-end functional correctness, VeRPO further integrates the dense signal with global execution outcomes, establishing a robust and dense reward paradigm relying solely on verifiable execution feedback. Extensive experiments across diverse benchmarks and settings demonstrate that VeRPO consistently outperforms outcome-driven and RM-based baselines, achieving up to +8.83\% gain in pass@1 with negligible time cost (< 0.02\%) and zero GPU memory overhead.

Vision-Language-Action (VLA) models enable robots to follow natural language instructions and generalize across diverse tasks, but they remain vulnerable to execution failures that compromise reliability in real-world deployment. Detecting such failures during execution is therefore critical for the robust deployment of embodied systems. Existing failure detection methods either rely on expensive action resampling or external models, while alternatives propagate trajectory-level labels uniformly across every timestep, obscuring localized failure signals. In this paper, we propose Hide-and-Seek, a framework that formulates VLA failure detection as a coarsely supervised learning problem. By combining inter-trajectory and intra-trajectory contrastive objectives, Hide-and-Seek localizes failure-indicative actions and induces temporally structured failure signals from trajectory-level supervision alone, without any step-level annotation. We evaluate Hide-and-Seek on LIBERO, VLABench, and a real-world robotic platform across three representative VLA policies: OpenVLA, π_0, and π_{0.5}.Our method achieves state-of-the-art multi-task failure detection performance with a practical accuracy--timeliness trade-off under conformal prediction, and generalizes well to both seen and unseen tasks.

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.

Words of estimative probability (WEP) are expressions of a statement's plausibility (probably, maybe, likely, doubt, likely, unlikely, impossible...). Multiple surveys demonstrate the agreement of human evaluators when assigning numerical probability levels to WEP. For example, highly likely corresponds to a median chance of 0.90+-0.08 in Fagen-Ulmschneider (2015)'s survey. In this work, we measure the ability of neural language processing models to capture the consensual probability level associated to each WEP. Firstly, we use the UNLI dataset (Chen et al., 2020) which associates premises and hypotheses with their perceived joint probability p, to construct prompts, e.g. "[PREMISE]. [WEP], [HYPOTHESIS]." and assess whether language models can predict whether the WEP consensual probability level is close to p. Secondly, we construct a dataset of WEP-based probabilistic reasoning, to test whether language models can reason with WEP compositions. When prompted "[EVENTA] is likely. [EVENTB] is impossible.", a causal language model should not express that [EVENTA&B] is likely. We show that both tasks are unsolved by off-the-shelf English language models, but that fine-tuning leads to transferable improvement.

Long-horizon interactions require language models to manage accumulating information: when to update their state, when to preserve their state, and what to ignore. We study this challenge as Contextual Belief Management (CBM): maintaining a predicted belief state aligned with formal evidence while isolating task-irrelevant noise. To make CBM measurable, we introduce BeliefTrack, a closed-world benchmark spanning Rule Discovery and Circuit Diagnosis, where a finite belief space and symbolic verifiers enable exact turn-level evaluation. BeliefTrack diagnoses three failures: Failed Stay, Failed Update, and Failed Isolation. Across multiple LLMs, vanilla models exhibit severe CBM failures, while explicit belief-tracking prompts provide limited gains. In contrast, reinforcement learning with belief-state rewards reduces failure rates by 70.9\% on average. Further probing reveals latent belief-state dynamics behind these failures, and representation-level steering reduces failure rates by 46.1\% across two tasks\footnote{Code is coming soon at https://github.com/zjunlp/CBM.

Inference-Time Scaling (ITS) improves language models by allocating more computation at generation time. Particle Filtering (PF) has emerged as a strong ITS method for complex mathematical reasoning tasks, but it is vulnerable when guided by process reward models, which often assign overconfident scores early in the reasoning process. This causes PF to suffer from premature exploitation: it myopically commits to locally promising trajectories, prunes potentially correct hypotheses, and converges to suboptimal solutions. This failure mode, known as particle impoverishment, is especially severe under constrained computational budgets. To address this, we analyze the problem and identify two root causes: a lack of diversity in the particle set due to overconfident resampling and consequent inability to assess the potential of a reasoning path. We introduce Entropic Particle Filtering (ePF), an algorithm that integrates two new techniques to solve these issues. The first technique, Entropic Annealing (EA), directly mitigates particle impoverishment by monitoring search diversity via entropy; when diversity drops, it intervenes by dynamically annealing the resampling distribution to preserve exploration. The second, an enhancement called Look-ahead Modulation (LaM), adds a predictive guide to evaluate a state's potential based on its successors. On several challenging math benchmarks, ePF significantly outperforms strong baselines and achieves up to a 50 % relative improvement in task reward. Together, these methods improve PF's resilience by balancing the exploration of diverse solution spaces with the exploitation of high-reward regions, ultimately leading to higher-quality solutions.

Computer-use agents have rapidly improved on real-world tasks such as web navigation, desktop automation, and software interaction, in some cases surpassing human performance. Yet even when the task and model are unchanged, an agent that succeeds once may fail on a repeated execution of the same task. This raises a fundamental question: if an agent can succeed at a task once, what prevents it from doing so reliably? In this work, we study the sources of unreliability in computer-use agents through three factors: stochasticity during execution, ambiguity in task specification, and variability in agent behavior. We analyze these factors on OSWorld using repeated executions of the same task together with paired statistical tests that capture task-level changes across settings. Our analysis shows that reliability depends on both how tasks are specified and how agent behavior varies across executions. These findings suggest the need to evaluate agents under repeated execution, to allow agents to resolve task ambiguity through interaction, and to favor strategies that remain stable across runs.

This paper investigates the mathematical reasoning capabilities of large language models (LLMs) using 50 newly constructed high-school-level word problems. Unlike prior studies that focus solely on answer correctness, we rigorously analyze both final answers and solution steps to identify reasoning failures. Evaluating eight state-of-the-art models - including Mixtral, Llama, Gemini, GPT-4o, and OpenAI's o1 variants - we find that while newer models (e.g., o3-mini, deepseek-r1) achieve higher accuracy, all models exhibit errors in spatial reasoning, strategic planning, and arithmetic, sometimes producing correct answers through flawed logic. Common failure modes include unwarranted assumptions, over-reliance on numerical patterns, and difficulty translating physical intuition into mathematical steps. Manual analysis reveals that models struggle with problems requiring multi-step deduction or real-world knowledge, despite possessing broad mathematical knowledge. Our results underscore the importance of evaluating reasoning processes, not just answers, and caution against overestimating LLMs' problem-solving proficiency. The study highlights persistent gaps in LLMs' generalization abilities, emphasizing the need for targeted improvements in structured reasoning and constraint handling.

Using fault-tolerant constructions, computations performed with unreliable components can simulate their noiseless counterparts though the introduction of a modest amount of redundancy. Given the modest overhead required to achieve fault-tolerance, and the fact that increasing the reliability of basic components often comes at a cost, are there situations where fault-tolerance may be more economical? We present a general framework to account for this overhead cost in order to effectively compare fault-tolerant to non-fault-tolerant approaches for computation, in the limit of small logical error rates. Using this detailed accounting, we determine explicit boundaries at which fault-tolerant designs become more efficient than designs that achieve comparable reliability through direct consumption of resources. We find that the fault-tolerant construction is always preferred in the limit of high reliability in cases where the resources required to construct a basic unit grows faster than log(1 / epsilon) asymptotically for small epsilon.

Although demonstrating remarkable performance on reasoning tasks, Large Language Models (LLMs) still tend to fabricate unreliable responses when confronted with problems that are unsolvable or beyond their capability, severely undermining the reliability. Prior studies of LLM reliability have primarily focused on knowledge tasks to identify unanswerable questions, while mathematical reasoning tasks have remained unexplored due to the dearth of unsolvable math problems. To systematically investigate LLM reliability in mathematical reasoning tasks, we formulate the reliability evaluation for both solvable and unsolvable problems. We then develop a ReliableMath dataset which incorporates open-source solvable problems and high-quality unsolvable problems synthesized by our proposed construction workflow with human evaluations. Experiments are conducted on various LLMs with several key findings uncovered. LLMs fail to directly identify unsolvable problems and always generate fabricated responses. When instructing LLMs to indicate unsolvability using a reliable prompt, the reliability of larger-sized LLMs remains on solvable problems, but notably improves on unsolvable problems yet still falls short of solvable problems. However, small LLMs rarely show any progress despite employing reliable prompts. Therefore, we further propose an alignment strategy to enhance small LLMs' reliability, which can significantly improve LLM reliability performances on both in-domain and out-of-domain tasks.

Classical supply chain risk models treat node failures as statistically independent events, systematically underestimating cascade probabilities when supplier dependencies are strongly correlated. At n=40 nodes, the full correlated failure distribution requires O(2^n) classical samples, a regime where exact simulation demands 17.6 TB of memory and over 369,000 hours of computation on a standard workstation. We present QR-SPPS (Quantum-Native Retail Shock Propagation and Policy Stress Simulator), a three-algorithm quantum pipeline implemented using the Qiskit framework with the Aer statevector_simulator backend. First, a 40-node, 4-tier retail supply network is encoded as a 40-qubit Ising Hamiltonian using OpenFermion QubitOperator, where ZZ coupling terms encode correlated cascade probabilities structurally absent from classical Monte Carlo. Second, a hardware-efficient VQE circuit finds the ground-state stress distribution with zero error, detecting entangled cascade failures in 14/40 nodes with max|ΔP|=0.637 versus classical Monte Carlo. Third, we introduce the first application of ADAPT-VQE gradient screening to counterfactual macroeconomic policy evaluation: six crisis interventions are ranked in O(1) Qiskit operator evaluations per policy, a 287x speedup over sequential VQE re-optimisation. Fourth, Density-of-States QPE (DOS-QPE) reconstructs the full eigenspectrum via 32-step Trotter evolution and introduces a novel mapping of the Boltzmann catastrophe probability P_cat(T) to VIX-equivalent market volatility temperature, enabling direct integration into regulatory Value-at-Risk frameworks. Qiskit Aer scaling benchmarks confirm exponential classical intractability at 40 qubits.

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

Large Language Models (LLMs) have demonstrated remarkable capabilities across various applications, fundamentally reshaping the landscape of natural language processing (NLP) research. However, recent evaluation frameworks often rely on the output probabilities of LLMs for predictions, primarily due to computational constraints, diverging from real-world LLM usage scenarios. While widely employed, the efficacy of these probability-based evaluation strategies remains an open research question. This study aims to scrutinize the validity of such probability-based evaluation methods within the context of using LLMs for Multiple Choice Questions (MCQs), highlighting their inherent limitations. Our empirical investigation reveals that the prevalent probability-based evaluation method inadequately aligns with generation-based prediction. Furthermore, current evaluation frameworks typically assess LLMs through predictive tasks based on output probabilities rather than directly generating responses, owing to computational limitations. We illustrate that these probability-based approaches do not effectively correspond with generative predictions. The outcomes of our study can enhance the understanding of LLM evaluation methodologies and provide insights for future research in this domain.

Distributed reinforcement learning trains on data from stale, buggy, or mismatched actors, producing actions with high surprisal (negative log-probability) under the learner's policy. The core difficulty is not surprising data per se, but negative learning from surprising data. High-surprisal failures can dominate the update direction despite carrying little useful signal, while high-surprisal successes reveal opportunities the current policy would otherwise miss. The Delightful Policy Gradient (DG) separates these cases by gating each update with delight, the product of advantage and surprisal, suppressing rare failures and amplifying rare successes without behavior probabilities. Under contaminated sampling, the cosine similarity between the standard policy gradient and the true gradient collapses, while DG's grows as the policy improves. No sign-blind reweighting, including exact importance sampling, can reproduce this effect. On MNIST with simulated staleness, DG without off-policy correction outperforms importance-weighted PG with exact behavior probabilities. On a transformer sequence task with staleness, actor bugs, reward corruption, and rare discovery, DG achieves roughly 10{times} lower error. When all four frictions act simultaneously, its compute advantage is order-of-magnitude and grows with task complexity.

Large language models often fail at simple counting tasks, even when the items to count are explicitly present in the prompt. We investigate whether this failure occurs because transformers do not represent counts internally, or because they cannot convert those representations into the correct output tokens. Across three model families, Pythia, Qwen3, and Mistral, ranging from 0.4B to 14B parameters, we find strong evidence for the second explanation. Linear probes recover the correct count from intermediate layers with near-perfect accuracy (R^2>0.99), showing that the information is present. However, the internal directions that encode counts are nearly orthogonal to the output-head rows for digit tokens (|cos|leq0.032). In other words, the model stores the count in a form that the digit logits do not naturally read out. We localize this failure with two interventions. Updating only the digit rows of the output head (36,864 parameters) substantially improves constrained next-token digit prediction (60.7 to 100.0% across four tasks), but it does not fix autoregressive generation. By contrast, a small LoRA intervention on attention Q/V weights (7.67M parameters) improves upstream routing and achieves 83.1% +/- 7.2% in true greedy autoregressive generation. Logit-lens measurements confirm the mechanism: the correct digit's vocabulary rank drops from 55,980 to 1, a 50,000x improvement. Additional norm, logit-lens, and cross-task analyses show that the bottleneck generalizes across character counting, addition, and list length, while remaining absent from broader multi-step reasoning benchmarks, including MMLU, GSM8K, and DROP. These results identify counting failure as a geometric readout bottleneck rather than a failure of internal representation: the model knows the count but the output pathway is geometrically misaligned with the tokens needed to express it.

Current question-answering benchmarks predominantly focus on accuracy in realizable prediction tasks. Conditioned on a question and answer-key, does the most likely token match the ground truth? Such benchmarks necessarily fail to evaluate LLMs' ability to quantify ground-truth outcome uncertainty. In this work, we focus on the use of LLMs as risk scores for unrealizable prediction tasks. We introduce folktexts, a software package to systematically generate risk scores using LLMs, and evaluate them against US Census data products. A flexible API enables the use of different prompting schemes, local or web-hosted models, and diverse census columns that can be used to compose custom prediction tasks. We evaluate 17 recent LLMs across five proposed benchmark tasks. We find that zero-shot risk scores produced by multiple-choice question-answering have high predictive signal but are widely miscalibrated. Base models consistently overestimate outcome uncertainty, while instruction-tuned models underestimate uncertainty and produce over-confident risk scores. In fact, instruction-tuning polarizes answer distribution regardless of true underlying data uncertainty. This reveals a general inability of instruction-tuned LLMs to express data uncertainty using multiple-choice answers. A separate experiment using verbalized chat-style risk queries yields substantially improved calibration across instruction-tuned models. These differences in ability to quantify data uncertainty cannot be revealed in realizable settings, and highlight a blind-spot in the current evaluation ecosystem that folktexts covers.

Black-box machine learning models are now routinely used in high-risk settings, like medical diagnostics, which demand uncertainty quantification to avoid consequential model failures. Conformal prediction is a user-friendly paradigm for creating statistically rigorous uncertainty sets/intervals for the predictions of such models. Critically, the sets are valid in a distribution-free sense: they possess explicit, non-asymptotic guarantees even without distributional assumptions or model assumptions. One can use conformal prediction with any pre-trained model, such as a neural network, to produce sets that are guaranteed to contain the ground truth with a user-specified probability, such as 90%. It is easy-to-understand, easy-to-use, and general, applying naturally to problems arising in the fields of computer vision, natural language processing, deep reinforcement learning, and so on. This hands-on introduction is aimed to provide the reader a working understanding of conformal prediction and related distribution-free uncertainty quantification techniques with one self-contained document. We lead the reader through practical theory for and examples of conformal prediction and describe its extensions to complex machine learning tasks involving structured outputs, distribution shift, time-series, outliers, models that abstain, and more. Throughout, there are many explanatory illustrations, examples, and code samples in Python. With each code sample comes a Jupyter notebook implementing the method on a real-data example; the notebooks can be accessed and easily run using our codebase.

Analyzing outcomes in long-term cancer survivor studies can be complex. The effects of predictors on the failure process may be difficult to assess over longer periods of time, as the commonly used assumption of proportionality of hazards holding over an extended period is often questionable. In this manuscript, we compare seven different survival models that estimate the hazard rate and the effects of proportional and non-proportional covariates. In particular, we focus on an extension of the the multi-resolution hazard (MRH) estimator, combining a non-proportional hierarchical MRH approach with a data-driven pruning algorithm that allows for computational efficiency and produces robust estimates even in times of few observed failures. Using data from a large-scale randomized prostate cancer clinical trial, we examine patterns of biochemical failure and estimate the time-varying effects of androgen deprivation therapy treatment and other covariates. We compare the impact of different modeling strategies and smoothness assumptions on the estimated treatment effect. Our results show that the benefits of treatment diminish over time, possibly with implications for future treatment protocols.

Majority voting over multiple LLM attempts improves mathematical reasoning, but correlated errors limit the effective sample size. A natural fix is to assign different reasoning strategies to different voters. The approach, Diverse Prompt Mixer, is tested on the AIMO 3 competition: 3 models, 23+ experiments, 50 IMO-level problems, one H100 80 GB, 5-hour limit. Every prompt-level intervention fails. High-temperature sampling already decorrelates errors; weaker strategies reduce accuracy more than they reduce correlation. Across an 8-point capability gap at equal N=8 and every optimization tested, model capability dominates. The gap between the best majority-vote score (42/50) and pass@20 (~45.5) is selection loss, not prompt loss. A verifier-based selector could close it. Prompt engineering cannot.

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

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

Fine-tuning large language models (LLMs) on reasoning benchmarks via reinforcement learning requires a specific reward function, often binary, for each benchmark. This comes with two potential limitations: the need to design the reward, and the potentially sparse nature of binary rewards. Here, we systematically investigate rewards derived from the probability or log-probability of emitting the reference answer (or any other prompt continuation present in the data), which have the advantage of not relying on specific verifiers and being available at scale. Several recent works have advocated for the use of similar rewards (e.g., VeriFree, JEPO, RLPR, NOVER). We systematically compare variants of likelihood-based rewards with standard baselines, testing performance both on standard mathematical reasoning benchmarks, and on long-form answers where no external verifier is available. We find that using the log-probability of the reference answer as the reward for chain-of-thought (CoT) learning is the only option that performs well in all setups. This reward is also consistent with the next-token log-likelihood loss used during pretraining. In verifiable settings, log-probability rewards bring comparable or better success rates than reinforcing with standard binary rewards, and yield much better perplexity. In non-verifiable settings, they perform on par with SFT. On the other hand, methods based on probability, such as VeriFree, flatline on non-verifiable settings due to vanishing probabilities of getting the correct answer. Overall, this establishes log-probability rewards as a viable method for CoT fine-tuning, bridging the short, verifiable and long, non-verifiable answer settings.

Root cause analysis (RCA) is essential for diagnosing failures within complex software systems to ensure system reliability. The highly distributed and interdependent nature of modern cloud-based systems often complicates RCA efforts, particularly for multi-hop fault propagation, where symptoms appear far from their true causes. Recent advancements in Large Language Models (LLMs) present new opportunities to enhance automated RCA. However, their practical value for RCA depends on the fidelity of reasoning and decision-making. Existing work relies on historical incident corpora, operates directly on high-volume telemetry beyond current LLM capacity, or embeds reasoning inside complex multi-agent pipelines -- conditions that obscure whether failures arise from reasoning itself or from peripheral design choices. We present a focused empirical evaluation that isolates an LLM's reasoning behavior. We design a controlled experimental framework that foregrounds the LLM by using a simplified experimental setting. We evaluate six LLMs under two agentic workflows (ReAct and Plan-and-Execute) and a non-agentic baseline on two real-world case studies (GAIA and OpenRCA). In total, we executed 48,000 simulated failure scenarios, totaling 228 days of execution time. We measure both root-cause accuracy and the quality of intermediate reasoning traces. We produce a labeled taxonomy of 16 common RCA reasoning failures and use an LLM-as-a-Judge for annotation. Our results clarify where current open-source LLMs succeed and fail in multi-hop RCA, quantify sensitivity to input data modalities, and identify reasoning failures that predict final correctness. Together, these contributions provide transparent and reproducible empirical results and a failure taxonomy to guide future work on reasoning-driven system diagnosis.

We identify a structural weakness in current large language model (LLM) alignment: modern refusal mechanisms are fail-open. While existing approaches encode refusal behaviors across multiple latent features, suppressing a single dominant feature-via prompt-based jailbreaks-can cause alignment to collapse, leading to unsafe generation. Motivated by this, we propose fail-closed alignment as a design principle for robust LLM safety: refusal mechanisms should remain effective even under partial failures via redundant, independent causal pathways. We present a concrete instantiation of this principle: a progressive alignment framework that iteratively identifies and ablates previously learned refusal directions, forcing the model to reconstruct safety along new, independent subspaces. Across four jailbreak attacks, we achieve the strongest overall robustness while mitigating over-refusal and preserving generation quality, with small computational overhead. Our mechanistic analyses confirm that models trained with our method encode multiple, causally independent refusal directions that prompt-based jailbreaks cannot suppress simultaneously, providing empirical support for fail-closed alignment as a principled foundation for robust LLM safety.

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

This study presents a hybrid framework for predicting movie success. The framework integrates multi-task learning (MTL), GPT-based sentiment analysis, and Susceptible-Infected-Recovered (SIR) propagation modeling. The study examines limitations in existing approaches. It models static production attributes, information dissemination, and audience sentiment at the same time. The framework uses 5,840 films from 2004 to 2024 and approximate 300,000 user reviews. It shows predictive performance with classification accuracy of 0.964 and regression metrics of MAE 0.388. Ablation analysis indicates component interactions. Selective feature combinations perform better than the comprehensive model. This result questions assumptions about feature integration. The model shows virality patterns between successful and unsuccessful films. Innovations include epidemiological modeling for information diffusion, multidimensional sentiment features from GPT-based analysis, and a shared representation architecture that optimizes multiple success metrics. The framework provides applications in the film production lifecycle. It also contributes to understanding how audience engagement leads to commercial outcomes.

Large language models (LLMs) show remarkable promise for democratizing automated reasoning by generating formal specifications. However, a fundamental tension exists: LLMs are probabilistic, while formal verification demands deterministic guarantees. This paper addresses this epistemological gap by comprehensively investigating failure modes and uncertainty quantification (UQ) in LLM-generated formal artifacts. Our systematic evaluation of five frontier LLMs reveals Satisfiability Modulo Theories (SMT) based autoformalization's domain-specific impact on accuracy (from +34.8% on logical tasks to -44.5% on factual ones), with known UQ techniques like the entropy of token probabilities failing to identify these errors. We introduce a probabilistic context-free grammar (PCFG) framework to model LLM outputs, yielding a refined uncertainty taxonomy. We find uncertainty signals are task-dependent (e.g., grammar entropy for logic, AUROC>0.93). Finally, a lightweight fusion of these signals enables selective verification, drastically reducing errors (14-100%) with minimal abstention, transforming LLM-driven formalization into a reliable engineering discipline.

Software developers attempt to reproduce software bugs to understand their erroneous behaviours and to fix them. Unfortunately, they often fail to reproduce (or fix) them, which leads to faulty, unreliable software systems. However, to date, only a little research has been done to better understand what makes the software bugs non-reproducible. In this paper, we conduct a multimodal study to better understand the non-reproducibility of software bugs. First, we perform an empirical study using 576 non-reproducible bug reports from two popular software systems (Firefox, Eclipse) and identify 11 key factors that might lead a reported bug to non-reproducibility. Second, we conduct a user study involving 13 professional developers where we investigate how the developers cope with non-reproducible bugs. We found that they either close these bugs or solicit for further information, which involves long deliberations and counter-productive manual searches. Third, we offer several actionable insights on how to avoid non-reproducibility (e.g., false-positive bug report detector) and improve reproducibility of the reported bugs (e.g., sandbox for bug reproduction) by combining our analyses from multiple studies (e.g., empirical study, developer study).