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 Statistical Learning


Adaptive Frontier Exploration on Graphs with Applications to Network-Based Disease Testing

Neural Information Processing Systems

We study a sequential decision-making problem on a n-node graph G where each node has an unknown label from a finite set โ„ฆ, drawn from a joint distribution P that is Markov with respect to G. At each step, selecting a node reveals its label and yields a label-dependent reward. The goal is to adaptively choose nodes to maximize expected accumulated discounted rewards. We impose a frontier exploration constraint, where actions are limited to neighbors of previously selected nodes, reflecting practical constraints in settings such as contact tracing and robotic exploration. We design a Gittins index-based policy that applies to general graphs and is provably optimal when G is a forest.


Uncertainty Quantification with the Empirical Neural Tangent Kernel

Neural Information Processing Systems

While neural networks have demonstrated impressive performance across various tasks, accurately quantifying uncertainty in their predictions is essential to ensure their trustworthiness and enable widespread adoption in critical systems. Several Bayesian uncertainty quantification (UQ) methods exist that are either cheap or reliable, but not both. We propose a post-hoc, sampling-based UQ method for overparameterized networks at the end of training.


Temperature is All You Need for Generalization in Langevin Dynamics and other Markov Processes

Neural Information Processing Systems

We analyze the generalization gap (gap between the training and test errors) when training a potentially over-parametrized model using a Markovian stochastic training algorithm, initialized from some distribution ฮธ0 p0. We focus on Langevin dynamics with a positive temperature ฮฒ 1, i.e. gradient descent on a training loss Lwith infinitesimal step size, perturbed with ฮฒ 1-variances Gaussian noise, and lightly regularized or bounded. There, we bound the generalization gap, at any time during training, by p (ฮฒEL(ฮธ0)+ln(1/ฮด))/N with probability 1 ฮด over the dataset, where N is the sample size, and EL(ฮธ0) = O(1)with standard initialization scaling. In contrast to previous guarantees, we have no dependence on either training time or reliance on mixing, nor a dependence on dimensionality, gradient norms, or any other properties of the loss or model. This guarantee follows from a general analysis of any Markov process-based training that has a Gibbs-style stationary distribution. The proof is surprisingly simple, once we observe that the marginal distribution divergence from initialization remains bounded, as implied by a generalized second law of thermodynamics.


iMIND: Insightful Multi-subject Invariant Neural Decoding

Neural Information Processing Systems

Decoding visual signals holds an appealing potential to unravel the complexities of cognition and perception. While recent reconstruction tasks leverage powerful generative models to produce high-fidelity images from neural recordings, they often pay limited attention to the underlying neural representations and rely heavily on pretrained priors. As a result, they provide little insight into how individual voxels encode and differentiate semantic content or how these representations vary across subjects. To mitigate this gap, we present an insightful Multi-subject Invariant Neural Decoding (iMIND) model, which employs a novel dual-decoding framework-both biometric and semantic decoding-to offer neural interpretability in a data-driven manner and deepen our understanding of brain-based visual functionalities. Our iMIND model operates through three core steps: establishing a shared neural representation space across subjects using a ViT-based masked autoencoder, disentangling neural features into complementary subject-specific and object-specific components, and performing dual decoding to support both biometric and semantic classification tasks. Experimental results demonstrate that iMIND achieves state-of-the-art decoding performance with minimal scalability limitations. Furthermore, iMIND empirically generates voxel-object activation fingerprints that reveal object-specific neural patterns and enable investigation of subject-specific variations in attention to identical stimuli. These findings provide a foundation for more interpretable and generalizable subject-invariant neural decoding, advancing our understanding of the voxel semantic selectivity as well as the neural vision processing dynamics.


Neural Rule Lists: Learning Discretizations, Rules, and Order in One Go

Neural Information Processing Systems

Interpretable machine learning is essential in high-stakes domains like healthcare. Rule lists are a popular choice due to their transparency and accuracy, but learning them effectively remains a challenge. Existing methods require feature pre-discretization, constrain rule complexity or ordering, or struggle to scale. We present NEURULES, a novel end-to-end framework that overcomes these limitations. At its core, NEURULES transforms the inherently combinatorial task of rule list learning into a differentiable optimization problem, enabling gradient-based learning. It simultaneously discovers feature conditions, assembles them into conjunctive rules, and determines their order--without pre-processing or manual constraints. A key contribution here is a gradient shaping technique that steers learning toward sparse rules with strong predictive performance. To produce ordered lists, we introduce a differentiable relaxation that, through simulated annealing, converges to a strict rule list. Extensive experiments show that NEURULES consistently outperforms combinatorial and neural baselines on binary as well as multi-class classification tasks across a wide range of datasets.


Private Evolution Converges

Neural Information Processing Systems

Private Evolution (PE) is a promising training-free method for differentially private (DP) synthetic data generation. While it achieves strong performance in some domains (e.g., images and text), its behavior in others (e.g., tabular data) is less consistent. To date, the only theoretical analysis of the convergence of PE depends on unrealistic assumptions about both the algorithm's behavior and the structure of the sensitive dataset. In this work, we develop a new theoretical framework to understand PE's practical behavior and identify sufficient conditions for its convergence. For d-dimensional sensitive datasets with n data points from a convex and compact domain, we prove that under the right hyperparameter settings and given access to the Gaussian variation API proposed in [33], PE produces an (ฮต,ฮด)-DP synthetic dataset with expected 1-Wasserstein distance O(d(nฮต) 1/d) from the original; this establishes worst-case convergence of the algorithm as n . Our analysis extends to general Banach spaces as well. We also connect PE to the Private Signed Measure Mechanism, a method for DP synthetic data generation that has thus far not seen much practical adoption. We demonstrate the practical relevance of our theoretical findings in experiments.


Asymmetric Dual Self-Distillation for 3D Self-Supervised Representation Learning

Neural Information Processing Systems

Learning semantically meaningful representations from unstructured 3D point clouds remains a central challenge in computer vision, especially in the absence of large-scale labeled datasets. While masked point modeling (MPM) is widely used in self-supervised 3D learning, its reconstruction-based objective can limit its ability to capture high-level semantics. We propose AsymDSD, an Asymmetric Dual Self-Distillation framework that unifies masked modeling and invariance learning through prediction in the latent space rather than the input space. AsymDSD builds on a joint embedding architecture and introduces several key design choices: an efficient asymmetric setup, disabling attention between masked queries to prevent shape leakage, multi-mask sampling, and a point cloud adaptation of multi-crop. AsymDSD achieves state-of-the-art results on ScanObjectNN (90.53%) and further improves to 93.72% when pretrained on 930k shapes, surpassing prior methods.


Generalization Bounds for Rank-sparse Neural Networks

Neural Information Processing Systems

It has been recently observed in much of the literature that neural networks exhibit a bottleneck rank property: for larger depths, the activation and weights of neural networks trained with gradient-based methods tend to be of approximately low rank. In fact, the rank of the activations of each layer converges to a fixed value referred to as the "bottleneck rank", which is the minimum rank required to represent the training data. This perspective is in line with the observation that regularizing linear networks (without activations) with weight decay is equivalent to minimizing the Schatten p quasi norm of the neural network. In this paper we investigate the implications of this phenomenon for generalization. More specifically, we prove generalization bounds for neural networks which exploit the approximate low rank structure of the weight matrices if present. The final results rely on the Schatten p quasi norms of the weight matrices: for small p, the bounds exhibit a sample complexity rOpWrL2q where W and L are the width and depth of the neural network respectively and where r is the rank of the weight matrices. As p increases, the bound behaves more like a norm-based bound instead.



Decreasing Entropic Regularization Averaged Gradient for Semi-Discrete Optimal Transport

Neural Information Processing Systems

Adding entropic regularization to Optimal Transport (OT) problems has become a standard approach for designing efficient and scalable solvers. However, regularization introduces a bias from the true solution. To mitigate this bias while still benefiting from the acceleration provided by regularization, a natural solver would adaptively decrease the regularization as it approaches the solution. Although some algorithms heuristically implement this idea, their theoretical guarantees and the extent of their acceleration compared to using a fixed regularization remain largely open. In the setting of semi-discrete OT, where the source measure is continuous and the target is discrete, we prove that decreasing the regularization can indeed accelerate convergence. To this end, we introduce DRAG: Decreasing (entropic) Regularization Averaged Gradient, a stochastic gradient descent algorithm where the regularization decreases with the number of optimization steps. We provide a theoretical analysis showing that DRAG benefits from decreasing regularization compared to a fixed scheme, achieving an unbiased O(1/t)sample and iteration complexity for both the OT cost and the potential estimation, and a O(1/ t) rate for the OT map. Our theoretical findings are supported by numerical experiments that validate the effectiveness of DRAG and highlight its practical advantages.