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 Performance Analysis


On the SAC-BL Algorithm for Anomaly Detection

Neural Information Processing Systems

Visual anomaly detection is significant in safety-critical and reliability-sensitive scenarios. Prior studies mainly emphasize the design and training of scoring functions, while little effort has been devoted to constructing decision rules based on these score functions. A recent work Ma et al. (2025b) highlights this issue and proposes the SAC-BL algorithm to address it. This method consists of a strong anomaly constraint (SAC) network and a betting-like (BL) algorithm serving as the decision rule. The SAC-BL algorithm can control the false discovery rate (FDR).


Self-Verifying Reflection Helps Transformers with CoTReasoning

Neural Information Processing Systems

Advanced large language models (LLMs) frequently reflect in reasoning chainof-thoughts (CoTs), where they self-verify the correctness of current solutions and explore alternatives. However, given recent findings that LLMs detect limited errors in CoTs, how reflection contributes to empirical improvements remains unclear. To analyze this issue, in this paper, we present a minimalistic reasoning framework to support basic self-verifying reflection for small transformers without natural language, which ensures analytic clarity and reduces the cost of comprehensive experiments. Theoretically, we prove that self-verifying reflection guarantees improvements if verification errors are properly bounded. Experimentally, we show that tiny transformers, with only a few million parameters, benefit from self-verification in both training and reflective execution, reaching remarkable LLM-level performance in integer multiplication and Sudoku. Similar to LLM results, we find that reinforcement learning (RL) improves in-distribution performance and incentivizes frequent reflection for tiny transformers, yet RL mainly optimizes shallow statistical patterns without faithfully reducing verification errors.


The third pillar of causal analysis perspective on causal representations

Neural Information Processing Systems

Despite recent progress in identifying latent causal structures using causal representation learning (CRL), what makes learned representations useful for causal downstream tasks and how to evaluate them are still not well understood. In this paper, we reinterpret CRL using a measurement model framework, where the learned representations are viewed as proxy measurements of the latent causal variables. Our approach clarifies the conditions under which learned representations support downstream causal reasoning and provides a principled basis for quantitatively assessing the quality of representations using a new Test-based Measurement EXclusivity (T-MEX) score. We validate T-MEX across diverse causal inference scenarios, including numerical simulations and real-world ecological video analysis, demonstrating that the proposed framework and corresponding score effectively assess the identification of learned representations and their usefulness for causal downstream tasks.


AgentAuditor: Human-Level Safety and Security Evaluation for LLMAgents

Neural Information Processing Systems

Despite the rapid advancement of LLM-based agents, the reliable evaluation of their safety and security remains a significant challenge. Existing rule-based or LLM-based evaluators often miss dangers in agents' step-by-step actions, overlook subtle meanings, fail to see how small issues compound, and get confused by unclear safety or security rules. To overcome this evaluation crisis, we introduce AgentAuditor, a universal, training-free, memory-augmented reasoning framework that empowers LLM evaluators to emulate human expert evaluators. AgentAuditor constructs an experiential memory by having an LLM adaptively extract structured semantic features (e.g., scenario, risk, behavior) and generate associated chain-of-thought reasoning traces for past interactions. A multi-stage, contextaware retrieval-augmented generation process then dynamically retrieves the most relevant reasoning experiences to guide the LLM evaluator's assessment of new cases. Moreover, we develop ASSEBench, the first benchmark designed to check how well LLM-based evaluators can spot both safety risks and security threats. ASSEBench comprises 2293 meticulously annotated interaction records, covering 15 risk types across 29 application scenarios. A key feature of ASSEBench is its nuanced approach to ambiguous risk situations, employing "Strict" and "Lenient" judgment standards. Experiments demonstrate that AgentAuditor not only consistently improves the evaluation performance of LLMs across all benchmarks but also sets a new state-of-the-art in LLM-as-a-judge for agent safety and security, achieving human-level accuracy.



Refining Norms: APost-hoc Framework for OOD Detection in Graph Neural Networks

Neural Information Processing Systems

Graph Neural Networks (GNNs) are increasingly deployed in mission-critical tasks, yet they often encounter inputs that lie outside their training distribution, leading to unreliable or overconfident predictions. To address this limitation, we present RAGNOR (Robust Aggregation Graph Norm for Outlier Recognition), a post-hoc approach that leverages embedding norms for robust out-of-distribution (OOD) detection on both node-level and graph-level tasks. Unlike previous methods designed primarily for image domains, RAGNOR directly tackles the relational challenges intrinsic to graphs: local contamination by anomalous neighbors, disparate norm scales across classes or roles, and insufficient references for boundary or low-degree nodes.


CausalDynamics: A large-scale benchmark for structural discovery of dynamical causal models

Neural Information Processing Systems

Causal discovery for dynamical systems poses a major challenge in fields where active interventions are infeasible. Most methods used to investigate these systems and their associated benchmarks are tailored to deterministic, low-dimensional and weakly nonlinear time-series data. To address these limitations, we present CausalDynamics, a large-scale benchmark and extensible data generation framework to advance the structural discovery of dynamical causal models. Our benchmark consists of true causal graphs derived from thousands of both linearly and nonlinearly coupled ordinary and stochastic differential equations as well as two idealized climate models. We perform a comprehensive evaluation of state-of-the-art causal discovery algorithms for graph reconstruction on systems with noisy, confounded, and lagged dynamics. CausalDynamics consists of a plug-and-play, build-yourown coupling workflow that enables the construction of a hierarchy of physical systems. We anticipate that our framework will facilitate the development of robust causal discovery algorithms that are broadly applicable across domains while addressing their unique challenges. We provide a user-friendly implementation and documentation on https://kausable.github.io/CausalDynamics.


SAFE: Multitask Failure Detection for Vision-Language-Action Models

Neural Information Processing Systems

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 generalist 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 highlevel knowledge about task success and failure, which is generic across different tasks.


Selective Omniprediction and Fair Abstention

Neural Information Processing Systems

We propose new learning algorithms for building selective classifiers, which are predictors that are allowed to abstain on some fraction of the domain. We study the model where a classifier may abstain from predicting at a fixed cost. Building on the recent framework on multigroup fairness and omniprediction, given a prespecified class of loss functions, we provide an algorithm for building a single classifier that learns abstentions and predictions optimally for every loss in the entire class, where the abstentions are decided efficiently for each specific loss function by applying a fixed post-processing function. Our algorithm and theoretical guarantees generalize the previously-known algorithms for learning selective classifiers in formal learning-theoretic models. We then extend the traditional multigroup fairness algorithms to the selective classification setting and show that we can use a calibrated and multiaccurate predictor to efficiently build selective classifiers that abstain optimally not only globally but also locally within each of the groups in any pre-specified collection of possibly intersecting subgroups of the domain, and are also accurate when they do not abstain. We show how our abstention algorithms can be used as conformal prediction methods in the binary classification setting to achieve both marginal and group-conditional coverage guarantees for an intersecting collection of groups. We provide empirical evaluations for all of our theoretical results, demonstrating the practicality of our learning algorithms for abstaining optimally and fairly.


Majority of the Bests: Improving Best-of-N via Bootstrapping

Neural Information Processing Systems

Sampling multiple outputs from a Large Language Model (LLM) and selecting the most frequent (Self-consistency) or highest-scoring (Best-of-N) candidate is a popular approach to achieve higher accuracy in tasks with discrete final answers. Best-of-N (BoN) selects the output with the highest reward, and with perfect rewards, it often achieves near-perfect accuracy. With imperfect rewards from reward models, however, BoN fails to reliably find the correct answer and its performance degrades drastically. We consider the distribution of BoN's outputs and highlight that, although the correct answer does not usually have a probability close to one under imperfect rewards, it is often the most likely outcome. This suggests that the mode of this distribution can be more reliably correct than a sample from it. Based on this idea, we propose Majority-of-the-Bests (MoB), a novel selection mechanism that estimates the output distribution of BoN via bootstrapping and selects its mode. Experimental results across five benchmarks, three different base LLMs, and two reward models demonstrate consistent improvements over BoN in 25 out of 30 setups. We also provide theoretical results for the consistency of the bootstrapping.