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 Statistical Learning


Handling Missing Responses under Cluster Dependence with Applications to Language Model Evaluation

Neural Information Processing Systems

Human annotations play a crucial role in evaluating the performance of GenAI models. Two common challenges in practice, however, are missing annotations (the response variable of interest) and cluster dependence among human-AI interactions (e.g., questions asked by the same user may be highly correlated). Reliable inference must address both issues to achieve unbiased estimation and appropriately quantify uncertainty when estimating average scores from human annotations. In this paper, we analyze the doubly robust estimator, a widely used method in missing data analysis and causal inference, applied to this setting and establish novel theoretical properties under cluster dependence. We further illustrate our findings through simulations and a real-world conversation quality dataset. Our theoretical and empirical results underscore the importance of incorporating cluster dependence in missing response problems to perform valid statistical inference.


Tree Ensemble Explainability through the Hoeffding Functional Decomposition and TreeHFD Algorithm

Neural Information Processing Systems

Tree ensembles have demonstrated state-of-the-art predictive performance across a wide range of problems involving tabular data. Nevertheless, the black-box nature of tree ensembles is a strong limitation, especially for applications with critical decisions at stake. The Hoeffding or ANOVA functional decomposition is a powerful explainability method, as it breaks down black-box models into a unique sum of lower-dimensional functions, provided that input variables are independent. In standard learning settings, input variables are often dependent, and the Hoeffding decomposition is generalized through hierarchical orthogonality constraints. Such generalization leads to unique and sparse decompositions with well-defined main effects and interactions. However, the practical estimation of this decomposition from a data sample is still an open problem. Therefore, we introduce the TreeHFD algorithm to estimate the Hoeffding decomposition of a tree ensemble from a data sample. We show the convergence of TreeHFD, along with the main properties of orthogonality, sparsity, and causal variable selection.



Neural Thermodynamics: Entropic Forces in Deep and Universal Representation Learning

Neural Information Processing Systems

With the rapid discovery of emergent phenomena in deep learning and large language models, understanding their cause has become an urgent need. Here, we propose a rigorous entropic-force theory for understanding the learning dynamics of neural networks trained with stochastic gradient descent (SGD) and its variants. Building on the theory of parameter symmetries and an entropic loss landscape, we show that representation learning is crucially governed by emergent entropic forces arising from stochasticity and discrete-time updates. These forces systematically break continuous parameter symmetries and preserve discrete ones, leading to a series of gradient balance phenomena that resemble the equipartition property of thermal systems. These phenomena, in turn, (a) explain the universal alignment of neural representations between AI models and lead to a proof of the Platonic Representation Hypothesis, and (b) reconcile the seemingly contradictory observations of sharpness-and flatness-seeking behavior of deep learning optimization. Our theory and experiments demonstrate that a combination of entropic forces and symmetry breaking is key to understanding emergent phenomena in deep learning.


Coupled Data and Measurement Space Dynamics for Enhanced Diffusion Posterior Sampling

Neural Information Processing Systems

Inverse problems, where the goal is to recover an unknown signal from noisy or incomplete measurements, are central to applications in medical imaging, remote sensing, and computational biology. Diffusion models have recently emerged as powerful priors for solving such problems. However, existing methods either rely on projection-based techniques that enforce measurement consistency through heuristic updates, or they approximate the likelihood p(y | x), often resulting in artifacts and instability under complex or high-noise conditions. To address these limitations, we propose a novel framework called coupled data and measurement space diffusion posterior sampling (C-DPS), which eliminates the need for constraint tuning or likelihood approximation. C-DPS introduces a forward stochastic process in the measurement space {yt}, evolving in parallel with the data-space diffusion {xt}, which enables the derivation of a closed-form posterior p(xt 1 | xt,yt 1). This coupling allows for accurate and recursive sampling based on a well-defined posterior distribution. Empirical results demonstrate that C-DPS consistently outperforms existing baselines, both qualitatively and quantitatively, across multiple inverse problem benchmarks.


AdaptGrad: Adaptive Sampling to Reduce Noise

Neural Information Processing Systems

Gradient smoothing is an efficient approach to reducing noise in gradient-based model explanation methods. SmoothGrad adds Gaussian noise to mitigate much of this noise. However, the crucial hyperparameter in this method, the variance ฯƒ of the Gaussian noise, is often set manually or determined using a heuristic approach. This results in the smoothed gradients containing extra noise introduced by the smoothing process. In this paper, we aim to analyze the noise and its connection to the out-of-range sampling in the smoothing process of SmoothGrad. Based on this insight, we propose AdaptGrad, an adaptive gradient smoothing method that controls out-of-range sampling to minimize noise. Comprehensive experiments, both qualitative and quantitative, demonstrate that AdaptGrad could effectively reduce almost all the noise in vanilla gradients compared to baseline methods. AdaptGrad is simple and universal, making it a practical solution to enhance gradient-based interpretability methods to achieve clearer visualization.


Nystrรถm-Accelerated Primal LS-SVMs: Breaking the O(an3) Complexity Bottleneck for Scalable ODEs Learning

Neural Information Processing Systems

A major problem of kernel-based methods (e.g., least squares support vector machines, LS-SVMs) for solving linear/nonlinear ordinary differential equations (ODEs) is the prohibitive O(an3) (a = 1 for linear ODEs and 27 for nonlinear ODEs) part of their computational complexity with increasing temporal discretization points n. We propose a novel Nystrรถm-accelerated LS-SVMs framework that breaks this bottleneck by reformulating ODEs as primal-space constraints. Specifically, we derive for the first time an explicit Nystrรถm-based mapping and its derivatives from one-dimensional temporal discretization points to a higher m-dimensional feature space (1 < m n), enabling the learning process to solve linear/nonlinear equation systems with m-dependent complexity. Numerical experiments on sixteen benchmark ODEs demonstrate: 1) 10 6000 times faster computation than classical LS-SVMs and physics-informed neural networks (PINNs), 2) comparable accuracy to LS-SVMs (< 0.13% relative MAE, RMSE, and y ห†y difference) while maximum surpassing PINNs by 72% in RMSE, and 3) scalability to n = 104 time steps with m = 50features. This work establishes a new paradigm for efficient kernel-based ODEs learning without significantly sacrificing the accuracy of the solution.


Learning Stochastic Multiscale Models

Neural Information Processing Systems

The physical sciences are replete with dynamical systems that require the resolution of a wide range of length and time scales. This presents significant computational challenges since direct numerical simulation requires discretization at the finest relevant scales, leading to a high-dimensional state space. In this work, we propose an approach to learn stochastic multiscale models in the form of stochastic differential equations directly from observational data. Drawing inspiration from physics-based multiscale modeling approaches, we resolve the macroscale state on a coarse mesh while introducing a microscale latent state to explicitly model unresolved dynamics. We learn the parameters of the multiscale model using a simulator-free amortized variational inference method with a Product of Experts likelihood that enforces scale separation. We present detailed numerical studies to demonstrate that our learned multiscale models achieve superior predictive accuracy compared to under-resolved direct numerical simulation and closure-type models at equivalent resolution, as well as reduced-order modeling approaches.


Fisher meets Feynman: score-based variational inference with a product of experts

Neural Information Processing Systems

We introduce a highly expressive yet distinctly tractable family for black-box variational inference (BBVI). Each member of this family is a weighted product of experts (PoE), and each weighted expert in the product is proportional to a multivariate t-distribution. These products of experts can model distributions with skew, heavy tails, and multiple modes, but to use them for BBVI, we must be able to sample from their densities. We show how to do this by reformulating these products of experts as latent variable models with auxiliary Dirichlet random variables. These Dirichlet variables emerge from a Feynman identity, originally developed for loop integrals in quantum field theory, that expresses the product of multiple fractions (or in our case, t-distributions) as an integral over the simplex.


H based Saliency Preserving Latent Information Decomposition

Neural Information Processing Systems

We introduce H-SPLID, a novel algorithm for learning salient feature representations through the explicit decomposition of salient and non-salient features into separate spaces. We show that H-SPLID promotes learning low-dimensional, task-relevant features. We prove that the expected prediction deviation under input perturbations is upper-bounded by the dimension of the salient subspace and the Hilbert-Schmidt Independence Criterion (HSIC) between inputs and representations. This establishes a link between robustness and latent representation compression in terms of the dimensionality and information preserved. Empirical evaluations on image classification tasks show that models trained with H-SPLID primarily rely on salient input components, as indicated by reduced sensitivity to perturbations affecting non-salient features, such as image backgrounds.