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 Statistical Learning


Fast Projection-Free Approach (without Optimization Oracle) for Optimization over Compact Convex Set

Neural Information Processing Systems

Projection-free first-order methods, e.g., the celebrated Frank-Wolfe (FW) algorithms, have emerged as powerful tools for optimization over simple convex sets such as polyhedra, because of their scalability, fast convergence, and iteration-wise feasibility without costly projections. However, extending these methods effectively to general compact convex sets remains challenging and largely open, as FW methods rely on expensive linear optimization oracles (LOO), while penalty-based methods often struggle with poor feasibility. We tackle this open challenge by presenting Hom-PGD, a novel projection-free method without expensive (optimization) oracles. Our method constructs a homeomorphism between the convex constraint set and a unit ball, transforming the original problem into an equivalent ball-constrained formulation, thus enabling efficient gradient-based optimization while preserving the original problem structure. We prove that Hom-PGD attains optimal convergence rates matching gradient descent with constant step-size to find an ฯต-approximate (stationary) solution: O(log(1/ฯต))for strongly convex objectives, O(ฯต 1) for convex objectives, and O(ฯต 2) for non-convex objectives. Meanwhile, Hom-PGD enjoys a low per-iteration complexity of O(n2), without expensive oracles like LOO or projection, where nis the input size. Our framework further extends to certain non-convex sets, broadening its applicability in practical optimization scenarios with complex constraints. Extensive numerical experiments demonstrate that Hom-PGD achieves comparable convergence rates to state-of-theart projection-free methods, while significantly reducing per-iteration runtime (up to 5 orders of magnitude faster) and thus the total problem-solving time.


Scalable Cross-View Sample Alignment for Multi-View Clustering with View Structure Similarity

Neural Information Processing Systems

Most existing multi-view clustering methods aim to generate a consensus partition across all views, based on the assumption that all views share the same sample arrangement. However, in real-world scenarios, the collected data across different views is often unsynchronized, making it difficult to ensure consistent sample correspondence between views. To address this issue, we propose a scalable sample-alignment-based multi-view clustering method, referred to as SSA-MVC. Specifically, we first employ a cluster-label matching (CLM) algorithm to select the view whose clustering labels best match those of the others as the benchmark view. Then, for each of the remaining views, we construct representations of nonaligned samples by computing their similarities with aligned samples. Based on these representations, we build a similarity graph between the non-aligned samples of each view and those in the benchmark view, which serves as the alignment criterion. This alignment criterion is then integrated into a late-fusion framework to enable clustering without requiring aligned samples. Notably, the learned sample alignment matrix can be used to enhance existing multi-view clustering methods in scenarios where sample correspondence is unavailable. The effectiveness of the proposed SSA-MVC algorithm is validated through extensive experiments conducted on eight real-world multi-view datasets.


Generalized Linear Bandits: Almost Optimal Regret with One-Pass Update

Neural Information Processing Systems

We study the generalized linear bandit (GLB) problem, a contextual multi-armed bandit framework that extends the classical linear model by incorporating a nonlinear link function, thereby modeling a broad class of reward distributions such as Bernoulli and Poisson. While GLBs are widely applicable to real-world scenarios, their non-linear nature introduces significant challenges in achieving both computational and statistical efficiency. Existing methods typically trade off between two objectives, either incurring high per-round costs for optimal regret guarantees or compromising statistical efficiency to enable constant-time updates. In this paper, we propose a jointly efficient algorithm that attains a nearly optimal regret bound with O(1)time and space complexities per round. The core of our method is a tight confidence set for the online mirror descent (OMD) estimator, which is derived through a novel analysis that leverages the notion of mix loss from online prediction. The analysis shows that our OMD estimator, even with its one-pass updates, achieves statistical efficiency comparable to maximum likelihood estimation, thereby leading to a jointly efficient optimistic method.


Evolutionary Prediction Games

Neural Information Processing Systems

When a prediction algorithm serves a collection of users, disparities in prediction quality are likely to emerge. If users respond to accurate predictions by increasing engagement, inviting friends, or adopting trends, repeated learning creates a feedback loop that shapes both the model and the population of its users. In this work, we introduce evolutionary prediction games, a framework grounded in evolutionary game theory which models such feedback loops as natural-selection processes among groups of users. Our theoretical analysis reveals a gap between idealized and real-world learning settings: In idealized settings with unlimited data and computational power, repeated learning creates competition and promotes competitive exclusion across a broad class of behavioral dynamics. However, under realistic constraints such as finite data, limited compute, or risk of overfitting, we show that stable coexistence and mutualistic symbiosis between groups becomes possible. We analyze these possibilities in terms of their stability and feasibility, present mechanisms that can sustain their existence, and empirically demonstrate our findings.


Task-Optimized Convolutional Recurrent Networks Align with Tactile Processing in the Rodent Brain

Neural Information Processing Systems

Tactile sensing remains far less understood in neuroscience and less effective in artificial systems compared to more mature modalities such as vision and language. We bridge these gaps by introducing an Encoder-Attender-Decoder (EAD) framework to systematically explore the space of task-optimized temporal neural networks trained on realistic tactile input sequences from a customized rodent whisker-array simulator. We identify convolutional recurrent neural networks (ConvRNNs) as superior encoders to purely feedforward and state-space architectures for tactile categorization. Crucially, these ConvRNN-encoder-based EAD models achieve neural representations closely matching rodent somatosensory cortex, saturating the explainable neural variability and revealing a clear linear relationship between supervised categorization performance and neural alignment. Furthermore, contrastive self-supervised ConvRNN-encoder-based EADs, trained with tactile-specific augmentations, match supervised neural fits, serving as an ethologically-relevant, label-free proxy. For neuroscience, our findings highlight nonlinear recurrent processing as important for general-purpose tactile representations in somatosensory cortex, providing the first quantitative characterization of the underlying inductive biases in this system. For embodied AI, our results emphasize the importance of recurrent EAD architectures to handle realistic tactile inputs, along with tailored self-supervised learning methods for achieving robust tactile perception with the same type of sensors animals use to sense in unstructured environments.


Object-Centric Concept-Bottlenecks

Neural Information Processing Systems

Developing high-performing, yet interpretable models remains a critical challenge in modern AI. Concept-based models (CBMs) attempt to address this by extracting human-understandable concepts from a global encoding (e.g., image encoding) and then applying a linear classifier on the resulting concept activations, enabling transparent decision-making. However, their reliance on holistic image encodings limits their expressiveness in object-centric real-world settings and thus hinders their ability to solve complex vision tasks beyond single-label classification. To tackle these challenges, we introduce Object-Centric Concept Bottlenecks (OCB), a framework that combines the strengths of CBMs and pre-trained object-centric foundation models, boosting performance and interpretability. We evaluate OCB on complex image datasets and conduct a comprehensive ablation study to analyze key components of the framework, such as strategies for aggregating object-concept encodings. The results show that OCB outperforms traditional CBMs and allows one to make interpretable decisions for complex visual tasks.


Robust Sampling for Active Statistical Inference

Neural Information Processing Systems

Active statistical inference [51] is a new method for inference with AI-assisted data collection. Given a budget on the number of labeled data points that can be collected and assuming access to an AI predictive model, the basic idea is to improve estimation accuracy by prioritizing the collection of labels where the model is most uncertain. The drawback, however, is that inaccurate uncertainty estimates can make active sampling produce highly noisy results, potentially worse than those from naive uniform sampling.


On the Expressive Power of Mixture-of-Experts for Structured Complex Tasks

Neural Information Processing Systems

Mixture-of-experts networks (MoEs) have demonstrated remarkable efficiency in modern deep learning. Despite their empirical success, the theoretical foundations underlying their ability to model complex tasks remain poorly understood. In this work, we conduct a systematic study of the expressive power of MoEs in modeling complex tasks with two common structural priors: low-dimensionality and sparsity. For shallow MoEs, we prove that they can efficiently approximate functions supported on low-dimensional manifolds, overcoming the curse of dimensionality. For deep MoEs, we show that O(L)-layer MoEs with E experts per layer can approximate piecewise functions comprising EL pieces with compositional sparsity, i.e., they can exhibit an exponential number of structured tasks. Our analysis reveals the roles of critical architectural components and hyperparameters in MoEs, including the gating mechanism, expert networks, the number of experts, and the number of layers, and offers natural suggestions for MoE variants.


Beyond the Average: Distributional Causal Inference under Imperfect Compliance

Neural Information Processing Systems

We study the estimation of distributional treatment effects in randomized experiments with imperfect compliance. When participants do not adhere to their assigned treatments, we leverage treatment assignment as an instrumental variable to identify the local distributional treatment effect--the difference in outcome distributions between treatment and control groups for the subpopulation of compliers. We propose a regression-adjusted estimator based on a distribution regression framework with Neyman-orthogonal moment conditions, enabling robustness and flexibility with high-dimensional covariates. Our approach accommodates continuous, discrete, and mixed discrete-continuous outcomes, and applies under a broad class of covariate-adaptive randomization schemes, including stratified block designs and simple random sampling. We derive the estimator's asymptotic distribution and show that it achieves the semiparametric efficiency bound. Simulation results demonstrate favorable finite-sample performance, and we demonstrate the method's practical relevance in an application to the Oregon Health Insurance Experiment.


Informed Initialization for Bayesian Optimization and Active Learning

Neural Information Processing Systems

Bayesian Optimization is a widely used method for optimizing expensive black-box functions, relying on probabilistic surrogate models such as Gaussian Processes. The quality of the surrogate model is crucial for good optimization performance, especially in the few-shot setting where only a small number of batches of points can be evaluated. In this setting, the initialization plays a critical role in shaping the surrogate's predictive quality and guiding subsequent optimization. Despite this, practitioners typically rely on (quasi-)random designs to cover the input space. However, such approaches neglect two key factors: (a) space-filling designs may not be desirable to reduce predictive uncertainty, and (b) efficient hyperparameter learning during initialization is essential for high-quality prediction, which may conflict with space-filling designs. To address these limitations, we propose Hyperparameter-Informed Predictive Exploration (HIPE), a novel acquisition strategy that balances predictive uncertainty reduction with hyperparameter learning using information-theoretic principles. We derive a closed-form expression for HIPE in the Gaussian Process setting and demonstrate its effectiveness through extensive experiments in active learning and few-shot BO. Our results show that HIPE outperforms standard initialization strategies in terms of predictive accuracy, hyperparameter identification, and subsequent optimization performance, particularly in large-batch, few-shot settings relevant to many real-world Bayesian Optimization applications.