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Dense Neural Networks are not Universal Approximators

arXiv.org Machine Learning

We investigate the approximation capabilities of dense neural networks. While universal approximation theorems establish that sufficiently large architectures can approximate arbitrary continuous functions if there are no restrictions on the weight values, we show that dense neural networks do not possess this universality. Our argument is based on a model compression approach, combining the weak regularity lemma with an interpretation of feedforward networks as message passing graph neural networks. We consider ReLU neural networks subject to natural constraints on weights and input and output dimensions, which model a notion of dense connectivity. Within this setting, we demonstrate the existence of Lipschitz continuous functions that cannot be approximated by such networks. This highlights intrinsic limitations of neural networks with dense layers and motivates the use of sparse connectivity as a necessary ingredient for achieving true universality.


Weighting-Based Identification and Estimation in Graphical Models of Missing Data

arXiv.org Machine Learning

We propose a constructive algorithm for identifying complete data distributions in graphical models of missing data. The complete data distribution is unrestricted, while the missingness mechanism is assumed to factorize according to a conditional directed acyclic graph. Our approach follows an interventionist perspective in which missingness indicators are treated as variables that can be intervened on. A central challenge in this setting is that sequences of interventions on missingness indicators may induce and propagate selection bias, so that identification can fail even when a propensity score is invariant to available interventions. To address this challenge, we introduce a tree-based identification algorithm that explicitly tracks the creation and propagation of selection bias and determines whether it can be avoided through admissible intervention strategies. The resulting tree provides both a diagnostic and a constructive characterization of identifiability under a given missingness mechanism. Building on these results, we develop recursive inverse probability weighting procedures that mirror the intervention logic of the identification algorithm, yielding valid estimating equations for both the missingness mechanism and functionals of the complete data distribution. Simulation studies and a real-data application illustrate the practical performance of the proposed methods. An accompanying R package, flexMissing, implements all proposed procedures.


Power-SMC: Low-Latency Sequence-Level Power Sampling for Training-Free LLM Reasoning

arXiv.org Machine Learning

Many recent reasoning gains in large language models can be explained as distribution sharpening: biasing generation toward high-likelihood trajectories already supported by the pretrained model, rather than modifying its weights. A natural formalization is the sequence-level power distribution $π_α(y\mid x)\propto p_θ(y\mid x)^α$ ($α>1$), which concentrates mass on whole sequences instead of adjusting token-level temperature. Prior work shows that Metropolis--Hastings (MH) sampling from this distribution recovers strong reasoning performance, but at order-of-magnitude inference slowdowns. We introduce Power-SMC, a training-free Sequential Monte Carlo scheme that targets the same objective while remaining close to standard decoding latency. Power-SMC advances a small particle set in parallel, corrects importance weights token-by-token, and resamples when necessary, all within a single GPU-friendly batched decode. We prove that temperature $τ=1/α$ is the unique prefix-only proposal minimizing incremental weight variance, interpret residual instability via prefix-conditioned Rényi entropies, and introduce an exponent-bridging schedule that improves particle stability without altering the target. On MATH500, Power-SMC matches or exceeds MH power sampling while reducing latency from $16$--$28\times$ to $1.4$--$3.3\times$ over baseline decoding.


Statistical Inference and Learning for Shapley Additive Explanations (SHAP)

arXiv.org Machine Learning

The SHAP (short for Shapley additive explanation) framework has become an essential tool for attributing importance to variables in predictive tasks. In model-agnostic settings, SHAP uses the concept of Shapley values from cooperative game theory to fairly allocate credit to the features in a vector $X$ based on their contribution to an outcome $Y$. While the explanations offered by SHAP are local by nature, learners often need global measures of feature importance in order to improve model explainability and perform feature selection. The most common approach for converting these local explanations into global ones is to compute either the mean absolute SHAP or mean squared SHAP. However, despite their ubiquity, there do not exist approaches for performing statistical inference on these quantities. In this paper, we take a semi-parametric approach for calibrating confidence in estimates of the $p$th powers of Shapley additive explanations. We show that, by treating the SHAP curve as a nuisance function that must be estimated from data, one can reliably construct asymptotically normal estimates of the $p$th powers of SHAP. When $p \geq 2$, we show a de-biased estimator that combines U-statistics with Neyman orthogonal scores for functionals of nested regressions is asymptotically normal. When $1 \leq p < 2$ (and the hence target parameter is not twice differentiable), we construct de-biased U-statistics for a smoothed alternative. In particular, we show how to carefully tune the temperature parameter of the smoothing function in order to obtain inference for the true, unsmoothed $p$th power. We complement these results by presenting a Neyman orthogonal loss that can be used to learn the SHAP curve via empirical risk minimization and discussing excess risk guarantees for commonly used function classes.


A Non-asymptotic Analysis for Learning and Applying a Preconditioner in MCMC

arXiv.org Machine Learning

Preconditioning is a common method applied to modify Markov chain Monte Carlo algorithms with the goal of making them more efficient. In practice it is often extremely effective, even when the preconditioner is learned from the chain. We analyse and compare the finite-time computational costs of schemes which learn a preconditioner based on the target covariance or the expected Hessian of the target potential with that of a corresponding scheme that does not use preconditioning. We apply our results to the Unadjusted Langevin Algorithm (ULA) for an appropriately regular target, establishing non-asymptotic guarantees for preconditioned ULA which learns its preconditioner. Our results are also applied to the unadjusted underdamped Langevin algorithm in the supplementary material. To do so, we establish non-asymptotic guarantees on the time taken to collect $N$ approximately independent samples from the target for schemes that learn their preconditioners under the assumption that the underlying Markov chain satisfies a contraction condition in the Wasserstein-2 distance. This approximate independence condition, that we formalize, allows us to bridge the non-asymptotic bounds of modern MCMC theory and classical heuristics of effective sample size and mixing time, and is needed to amortise the costs of learning a preconditioner across the many samples it will be used to produce.


Do More Predictions Improve Statistical Inference? Filtered Prediction-Powered Inference

arXiv.org Machine Learning

Recent advances in artificial intelligence have enabled the generation of large-scale, low-cost predictions with increasingly high fidelity. As a result, the primary challenge in statistical inference has shifted from data scarcity to data reliability. Prediction-powered inference methods seek to exploit such predictions to improve efficiency when labeled data are limited. However, existing approaches implicitly adopt a use-all philosophy, under which incorporating more predictions is presumed to improve inference. When prediction quality is heterogeneous, this assumption can fail, and indiscriminate use of unlabeled data may dilute informative signals and degrade inferential accuracy. In this paper, we propose Filtered Prediction-Powered Inference (FPPI), a framework that selectively incorporates predictions by identifying a data-adaptive filtered region in which predictions are informative for inference. We show that this region can be consistently estimated under a margin condition, achieving fast rates of convergence. By restricting the prediction-powered correction to the estimated filtered region, FPPI adaptively mitigates the impact of biased or noisy predictions. We establish that FPPI attains strictly improved asymptotic efficiency compared with existing prediction-powered inference methods. Numerical studies and a real-data application to large language model evaluation demonstrate that FPPI substantially reduces reliance on expensive labels by selectively leveraging reliable predictions, yielding accurate inference even in the presence of heterogeneous prediction quality.


Deep Bootstrap

arXiv.org Machine Learning

As a result, the demands for interval estimation, and consequently for its validity and precision, have experienced a sustained increase over time and are reflected in a number of recent studies. For example, in proteomics, confidence intervals are employed to assess the association between post-translational modifications and intrinsically disordered regions of proteins, validating hypotheses derived from predictive models and facilitating large-scale functional analyses (Tunyasuvunakool et al., 2021; Bludau et al., 2022). In genomic research, confidence intervals are leveraged to characterize the distribution of gene expression levels, enabling robust inferences about promoter sequence effects and genetic variability (Vaishnav et al., 2022). In the realm of environmental science, interval estimation can be used to monitor deforestation rates of forests, yielding uncertainty-aware insights critical for climate policy formulation (Bullock et al., 2020). As for social sciences, confidence intervals are utilized to evaluate relationships between socioeconomic factors, bolstering the robustness of conclusions drawn from census data (Ding et al., 2021).


Deep Learning of Compositional Targets with Hierarchical Spectral Methods

arXiv.org Machine Learning

Why depth yields a genuine computational advantage over shallow methods remains a central open question in learning theory. We study this question in a controlled high-dimensional Gaussian setting, focusing on compositional target functions. We analyze their learnability using an explicit three-layer fitting model trained via layer-wise spectral estimators. Although the target is globally a high-degree polynomial, its compositional structure allows learning to proceed in stages: an intermediate representation reveals structure that is inaccessible at the input level. This reduces learning to simpler spectral estimation problems, well studied in the context of multi-index models, whereas any shallow estimator must resolve all components simultaneously. Our analysis relies on Gaussian universality, leading to sharp separations in sample complexity between two and three-layer learning strategies.


Exploring the impact of adaptive rewiring in Graph Neural Networks

arXiv.org Machine Learning

This paper explores sparsification methods as a form of regularization in Graph Neural Networks (GNNs) to address high memory usage and computational costs in large-scale graph applications. Using techniques from Network Science and Machine Learning, including Erdős-Rényi for model sparsification, we enhance the efficiency of GNNs for real-world applications. We demonstrate our approach on N-1 contingency assessment in electrical grids, a critical task for ensuring grid reliability. We apply our methods to three datasets of varying sizes, exploring Graph Convolutional Networks (GCN) and Graph Isomorphism Networks (GIN) with different degrees of sparsification and rewiring. Comparison across sparsification levels shows the potential of combining insights from both research fields to improve GNN performance and scalability. Our experiments highlight the importance of tuning sparsity parameters: while sparsity can improve generalization, excessive sparsity may hinder learning of complex patterns. Our adaptive rewiring approach, particularly when combined with early stopping, proves promising by allowing the model to adapt its connectivity structure during training. This research contributes to understanding how sparsity can be effectively leveraged in GNNs for critical applications like power grid reliability analysis.


When LLMs get significantly worse: A statistical approach to detect model degradations

arXiv.org Machine Learning

Minimizing the inference cost and latency of foundation models has become a crucial area of research. Optimization approaches include theoretically lossless methods and others without accuracy guarantees like quantization. In all of these cases it is crucial to ensure that the model quality has not degraded. However, even at temperature zero, model generations are not necessarily robust even to theoretically lossless model optimizations due to numerical errors. We thus require statistical tools to decide whether a finite-sample accuracy deviation is an evidence of a model's degradation or whether it can be attributed to (harmless) noise in the evaluation. We propose a statistically sound hypothesis testing framework based on McNemar's test allowing to efficiently detect model degradations, while guaranteeing a controlled rate of false positives. The crucial insight is that we have to confront the model scores on each sample, rather than aggregated on the task level. Furthermore, we propose three approaches to aggregate accuracy estimates across multiple benchmarks into a single decision. We provide an implementation on top of the largely adopted open source LM Evaluation Harness and provide a case study illustrating that the method correctly flags degraded models, while not flagging model optimizations that are provably lossless. We find that with our tests even empirical accuracy degradations of 0.3% can be confidently attributed to actual degradations rather than noise.