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GOOD: Training-Free Guided Diffusion Sampling for Out-of-Distribution Detection

Neural Information Processing Systems

Recent advancements have explored text-to-image diffusion models for synthesizing out-of-distribution (OOD) samples, substantially enhancing the performance of OOD detection. However, existing approaches typically rely on perturbing textconditioned embeddings, resulting in semantic instability and insufficient shift diversity, which limit generalization to realistic OOD. To address these challenges, we propose GOOD, a novel and flexible framework that directly guides diffusion sampling trajectories towards OOD regions using off-the-shelf in-distribution (ID) classifiers. GOOD incorporates dual-level guidance: (1) Image-level guidance based on the gradient of log partition to reduce input likelihood, drives samples toward low-density regions in pixel space.


Feature Unlearning: Theoretical Foundations and Practical Applications with Shuffling

Neural Information Processing Systems

Machine unlearning has become a focal point in recent research, yet the specific area of feature unlearning has not been thoroughly explored. Feature unlearning involves eliminating specific features' effects from an already trained model, presenting distinct challenges that are not yet comprehensively addressed. This paper presents a novel and straightforward approach to feature unlearning that employs a tactical shuffling of the features designated for removal. By redistributing the values of the features targeted for unlearning throughout the original training dataset and subsequently fine-tuning the model with this shuffled data, our proposed method provides a theoretical guarantee for effective feature unlearning. Under mild assumptions, our method can effectively disrupt the established correlations between unlearned features and the label, while preserving the relationships between the remaining features and the label. Across both tabular and image datasets, our empirical results show that our method not only effectively and efficiently removes the influence of designated features but also preserves the information content of the remaining features.


Aligning Evaluation with Clinical Priorities: Calibration, Label Shift, and Error Costs

Neural Information Processing Systems

Machine learning-based decision support systems are increasingly deployed in clinical settings, where probabilistic scoring functions are used to inform and prioritize patient management decisions. However, widely used scoring rules, such as accuracy and AUC-ROC, fail to adequately reflect key clinical priorities, including calibration, robustness to distributional shifts, and sensitivity to asymmetric error costs. In this work, we propose a principled yet practical evaluation framework for selecting calibrated thresholded classifiers that explicitly accounts for uncertainty in class prevalences and domain-specific cost asymmetries. Building on the theory of proper scoring rules, particularly the Schervish representation, we derive an adjusted variant of cross-entropy (log score) that averages cost-weighted performance over clinically relevant ranges of class balance. The resulting evaluation is simple to apply, sensitive to clinical deployment conditions, and designed to prioritize models that are both calibrated and robust to real-world variations.


Beyond Prediction: Managing the Repercussions of Machine Learning Applications

Neural Information Processing Systems

Machine learning models are often designed to maximize a primary goal, such as accuracy. However, as these models are increasingly used to inform decisions that affect people's lives or well-being, it is often unclear what the real-world repercussions of their deployment might be--making it crucial to understand and manage such repercussions effectively. Models maximizing user engagement on social media platforms, e.g., may inadvertently contribute to the spread of misinformation and content that deepens political polarization. This issue is not limited to social media--it extends to other applications where machine learning-informed decisions can have real-world repercussions, such as education, employment, and lending. Existing methods addressing this issue require prior knowledge or estimates of analytical models describing the relationship between a classifier's predictions and their corresponding repercussions. We introduce THEIA, a novel classification algorithm capable of optimizing a primary objective, such as accuracy, while providing high-confidence guarantees about its potential repercussions. Importantly, THEIA solves the open problem of providing such guarantees based solely on existing data with observations of previous repercussions. We prove that it satisfies constraints on a model's repercussions with high confidence and that it is guaranteed to identify a solution, if one exists, given sufficient data. We empirically demonstrate, using real-life data, that THEIA can identify models that achieve high accuracy while ensuring, with high confidence, that constraints on their repercussions are satisfied.


ConceptScope: Characterizing Dataset Bias via Disentangled Visual Concepts

Neural Information Processing Systems

Dataset bias, where data points are skewed to certain concepts, is ubiquitous in machine learning datasets. Yet, systematically identifying these biases is challenging without costly, fine-grained attribute annotations. We present ConceptScope, a scalable and automated framework for analyzing visual datasets by discovering and quantifying human-interpretable concepts using Sparse Autoencoders trained on representations from vision foundation models. ConceptScope categorizes concepts into target, context, and bias types based on their semantic relevance and statistical correlation to class labels, enabling class-level dataset characterization, bias identification, and robustness evaluation through concept-based subgrouping.


FraPPE: Fast and Efficient Preference-based Pure Exploration

Neural Information Processing Systems

Preference-based Pure Exploration (PrePEx) aims to identify with a given confidence level the set of Pareto optimal arms in a vector-valued (aka multi-objective) bandit, where the reward vectors are ordered via a (given) preference cone C. Though PrePEx and its variants are well-studied, there does not exist a computationally efficient algorithm that can optimally track the existing lower bound (Shukla and Basu, 2024) for arbitrary preference cones. We successfully fill this gap by efficiently solving the minimisation and maximisation problems in the lower bound. First, we derive three structural properties of the lower bound that yield a computationally tractable reduction of the minimisation problem. Then, we deploy a Frank-Wolfe optimiser to accelerate the maximisation problem in the lower bound. Together, these techniques solve the maxmin optimisation problem in O(KL2) time for a bandit instance with K arms and L dimensional reward, which is a significant acceleration over the literature. We further prove that our proposed PrePEx algorithm, FraPPE, asymptotically achieves the optimal sample complexity. Finally, we perform numerical experiments across synthetic and real datasets demonstrating that FraPPE achieves the lowest sample complexities to identify the exact Pareto set among the existing algorithms.


Reliably Detecting Model Failures in Deployment Without Labels

Neural Information Processing Systems

The distribution of data changes over time; models operating in dynamic environments need retraining. But knowing when to retrain, without access to labels, is an open challenge since some, but not all shifts degrade model performance. This paper formalizes and addresses the problem of post-deployment deterioration (PDD) monitoring. We propose D3M, a practical and efficient monitoring algorithm based on the disagreement of predictive models, achieving low false positive rates under non-deteriorating shifts and provides sample complexity bounds for high true positive rates under deteriorating shifts. Empirical results on both standard benchmark and a real-world large-scale internal medicine dataset demonstrate the effectiveness of the framework and highlight its viability as an alert mechanism for high-stakes machine learning pipelines.


Failure Prediction at Runtime for Generative Robot Policies

Neural Information Processing Systems

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. Therefore, early failure prediction during runtime is 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-ofdistribution (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.


https://papers.nips.cc/paper_files/paper/2025/file/09265e2568cf7a6ff47b506acbc2c6eb-Paper-Conference.pdf

Neural Information Processing Systems

Fraudulent activities have caused substantial negative social impacts and are exhibiting emerging characteristics such as intelligence and industrialization, posing challenges of high-order interactions, intricate dependencies, and the sparse yet concealed nature of fraudulent entities. Existing graph fraud detectors are limited by their narrow "receptive fields", as they focus only on the relations between an entity and its neighbors while neglecting longer-range structural associations hidden between entities. To address this issue, we propose a novel fraud detector based on Graph Path Aggregation (GPA). It operates through variable-length path sampling, semantic-associated path encoding, path interaction and aggregation, and aggregation-enhanced fraud detection. To further facilitate interpretable association analysis, we synthesize G-Internet, the first benchmark dataset in the field of internet fraud detection. Extensive experiments across datasets in multiple fraud scenarios demonstrate that the proposed GPA outperforms mainstream fraud detectors by up to +15% in Average Precision (AP). Additionally, GPA exhibits enhanced robustness to noisy labels and provides excellent interpretability by uncovering implicit fraudulent patterns across broader contexts.


On Optimal Steering to Achieve Exact Fairness

Neural Information Processing Systems

To fix the'bias in, bias out' problem in fair machine learning, it is important to steer feature distributions of data or internal representations of Large Language Models (LLMs) to ideal ones that guarantee group-fair outcomes. Previous work on fair generative models and representation steering could greatly benefit from provable fairness guarantees on the model output. We define a distribution as ideal if the minimizer of any cost-sensitive risk on it is guaranteed to have exact group-fair outcomes (e.g., demographic parity, equal opportunity)--in other words, it has no fairness-utility trade-off. We formulate an optimization program for optimal steering by finding the nearest ideal distribution in KL-divergence, and provide efficient algorithms for it when the underlying distributions come from well-known parametric families (e.g., normal, log-normal). Empirically, our optimal steering techniques on both synthetic and real-world datasets improve fairness without diminishing utility (and sometimes even improve utility). We demonstrate affine steering of LLM representations to reduce bias in multi-class classification, e.g., occupation prediction from a short biography in Bios dataset (De-Arteaga et al.). Furthermore, we steer internal representations of LLMs towards desired outputs so that it works equally well across different groups.