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Thumb on the Scale: Optimal Loss Weighting in Last Layer Retraining

Neural Information Processing Systems

While machine learning models become more capable in discriminative tasks at scale, their ability to overcome biases introduced by training data has come under increasing scrutiny. Previous results suggest that there are two extremes of parameterization with very different behaviors: the population (underparameterized) setting where loss weighting is optimal and the separable overparameterized setting where loss weighting is ineffective at ensuring equal performance across classes. This work explores the regime of last layer retraining (LLR) in which the unseen limited (retraining) data is frequently inseparable and the model proportionately sized, falling between the two aforementioned extremes. We show, in theory and practice, that loss weighting is still effective in this regime, but that these weights must take into account the relative overparameterization of the model.


Dynamic Risk Assessments for Offensive Cybersecurity Agents

Neural Information Processing Systems

Foundation models are increasingly becoming better autonomous programmers, raising the prospect that they could also automate dangerous offensive cyber-operations. Current frontier model audits probe the cybersecurity risks of such agents, but most fail to account for the degrees of freedom available to adversaries in the real world. In particular, with strong verifiers and financial incentives, agents for offensive cybersecurity are amenable to iterative improvement by would-be adversaries. We argue that assessments should take into account an expanded threat model in the context of cybersecurity, emphasizing the varying degrees of freedom that an adversary may possess in stateful and non-stateful environments within a fixed compute budget. We show that even with a relatively small compute budget (8 H100 GPUHours in our study), adversaries can improve an agent's cybersecurity capability on InterCode CTF by more than 40% relative to the baseline--without any external assistance. These results highlight the need to evaluate agents' cybersecurity risk in a dynamic manner, painting a more representative picture of risk.


Multilevel neural simulation-based inference

Neural Information Processing Systems

Neural simulation-based inference (SBI) is a popular set of methods for Bayesian inference when models are only available in the form of a simulator. These methods are widely used in the sciences and engineering, where writing down a likelihood can be significantly more challenging than constructing a simulator. However, the performance of neural SBI can suffer when simulators are computationally expensive, thereby limiting the number of simulations that can be performed. In this paper, we propose a novel approach to neural SBI which leverages multilevel Monte Carlo techniques for settings where several simulators of varying cost and fidelity are available. We demonstrate through both theoretical analysis and extensive experiments that our method can significantly enhance the accuracy of SBI methods given a fixed computational budget.


Incentivizing Truthful Language Models via Peer Elicitation Games

Neural Information Processing Systems

Large Language Models (LLMs) have demonstrated strong generative capabilities but remain prone to inconsistencies and hallucinations. We introduce Peer Elicitation Games (PEG), a training-free, game-theoretic framework for aligning LLMs through a peer elicitation mechanism involving a generator and multiple discriminators instantiated from distinct base models. Discriminators interact in a peer evaluation setting, where utilities are computed using a determinant-based mutual information score that provably incentivizes truthful reporting without requiring ground-truth labels. We establish theoretical guarantees showing that each agent, via online learning, achieves sublinear regret in the sense their cumulative performance approaches that of the best fixed truthful strategy in hindsight. Moreover, we prove last-iterate convergence to a truthful Nash equilibrium, ensuring that the actual policies used by agents converge to stable and truthful behavior over time. Empirical evaluations across multiple benchmarks demonstrate significant improvements in factual accuracy.


Attribution-Driven Adaptive Token Pruning for Transformers

Neural Information Processing Systems

Transformers have been widely adopted in natural language processing, computer vision, and other domains due to their exceptional performance across a variety of tasks. However, the computational cost of Transformers is prohibitively high, particularly when handling long input sequences, significantly increasing both training and inference time. Although various token pruning methods have been proposed to reduce the computational burden of Transformers, most approaches overlook critical differences in sequences in terms of length and complexity, leading to suboptimal compression efficiency. In this paper, we propose AD-TP, an Attribution-Driven Adaptive Token Pruning method designed to retain only the most informative tokens. We analyze the performance of using accumulated attention values to measure token importance and find that attention values do not accurately reflect the actual contribution of each token to text understanding.


Rethinking PCAThrough Duality

Neural Information Processing Systems

Motivated by the recently shown connection between self-attention and (kernel) principal component analysis (PCA), we revisit the fundamentals of PCA. Using the difference-of-convex (DC) framework, we present several novel formulations and provide new theoretical insights. In particular, we show the kernelizability and outof-sample applicability for a PCA-like family of problems. Moreover, we uncover that simultaneous iteration, which is connected to the classical QR algorithm, is an instance of the difference-of-convex algorithm (DCA), offering an optimization perspective on this longstanding method. Further, we describe new algorithms for PCA and empirically compare them with state-of-the-art methods. Lastly, we introduce a kernelizable dual formulation for a robust variant of PCA that minimizes the l1-deviation of the reconstruction errors.


Spectral Learning for Infinite-Horizon Average-Reward POMDPs

Neural Information Processing Systems

We address the learning problem in the context of infinite-horizon average-reward POMDPs. Traditionally, this problem has been approached using Spectral Decomposition (SD) methods applied to samples collected under non-adaptive policies, such as uniform or round-robin policies. Recently, SD techniques have been extended to accommodate a restricted class of adaptive policies such as memoryless policies. However, the use of adaptive policies has introduced challenges related to data inefficiency, as SD methods typically require all samples to be drawn from a single policy. In this work, we propose Mixed Spectral Estimation, which generalizes spectral estimation techniques to support a broader class of belief-based policies.


HYPRL: Reinforcement Learning of Control Policies for Hyperproperties

Neural Information Processing Systems

Reward shaping in multi-agent reinforcement learning (MARL) for complex tasks remains a significant challenge. Existing approaches often fail to find optimal solutions or cannot efficiently handle such tasks. We propose HYPRL, a specificationguided reinforcement learning framework that learns control policies w.r.t.


ScatterAD: Temporal-Topological Scattering Mechanism for Time Series Anomaly Detection

Neural Information Processing Systems

One main challenge in time series anomaly detection for industrial IoT lies in the complex spatio-temporal couplings within multivariate data. However, traditional anomaly detection methods focus on modeling spatial or temporal dependencies independently, resulting in suboptimal representation learning and limited sensitivity to anomalous dispersion in high-dimensional spaces. In this work, we conduct an empirical analysis showing that both normal and anomalous samples tend to scatter in high-dimensional space, especially anomalous samples are markedly more dispersed. We formalize this dispersion phenomenon as scattering, quantified by the mean pairwise distance among sample representations, and leverage it as an inductive signal to enhance spatio-temporal anomaly detection. Technically, we propose ScatterAD to model representation scattering across temporal and topological dimensions. ScatterAD incorporates a topological encoder for capturing graph-structured scattering and a temporal encoder for constraining overscattering through mean squared error minimization between neighboring time steps. We introduce a contrastive fusion mechanism to ensure the complementarity of the learned temporal and topological representations. Additionally, we theoretically show that maximizing the conditional mutual information between temporal and topological views improves cross-view consistency and enhances more discriminative representations. Extensive experiments on multiple public benchmarks show that ScatterAD achieves state-of-the-art performance on multivariate time series anomaly detection.


Detecting Data Deviations in Electronic Health Records

Neural Information Processing Systems

Data deviations in electronic health records (EHR) refer to discrepancies between recorded entries and a patient's actual physiological state, indicating a decline in EHR data fidelity. Such deviations can result from pre-analytical variability, documentation errors, or unvalidated data sources. Effectively detecting data deviations is clinically valuable for identifying erroneous records, excluding them from downstream clinical workflows, and informing corrective actions. Despite its importance and practical relevance, this problem remains largely underexplored in existing research. To bridge this gap, we propose a bi-level knowledge distillation approach centered on a task-agnostic formulation of EHR data fidelity as an intrinsic measure of data reliability. Our approach performs layered knowledge distillation in two levels: from a computation-intensive, task-specific data Shapley oracle to a neural oracle for individual tasks, and then to a unified EHR data fidelity predictor. This design enables the integration of task-specific insights into a holistic assessment of a patient's EHR data fidelity from a multi-task perspective. By tracking the outputs of this learned predictor, we detect potential data deviations in EHR data.