arXiv.org Machine Learning
Diagnostics for Individual-Level Prediction Instability in Machine Learning for Healthcare
Miller, Elizabeth W., Blume, Jeffrey D.
In healthcare, predictive models increasingly inform patient-level decisions, yet little attention is paid to the variability in individual risk estimates and its impact on treatment decisions. For overparameterized models, now standard in machine learning, a substantial source of variability often goes undetected. Even when the data and model architecture are held fixed, randomness introduced by optimization and initialization can lead to materially different risk estimates for the same patient. This problem is largely obscured by standard evaluation practices, which rely on aggregate performance metrics (e.g., log-loss, accuracy) that are agnostic to individual-level stability. As a result, models with indistinguishable aggregate performance can nonetheless exhibit substantial procedural arbitrariness, which can undermine clinical trust. We propose an evaluation framework that quantifies individual-level prediction instability by using two complementary diagnostics: empirical prediction interval width (ePIW), which captures variability in continuous risk estimates, and empirical decision flip rate (eDFR), which measures instability in threshold-based clinical decisions. We apply these diagnostics to simulated data and GUSTO-I clinical dataset. Across observed settings, we find that for flexible machine-learning models, randomness arising solely from optimization and initialization can induce individual-level variability comparable to that produced by resampling the entire training dataset. Neural networks exhibit substantially greater instability in individual risk predictions compared to logistic regression models. Risk estimate instability near clinically relevant decision thresholds can alter treatment recommendations. These findings that stability diagnostics should be incorporated into routine model validation for assessing clinical reliability.
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- Research Report > New Finding (1.00)
- Research Report > Experimental Study (1.00)
Learning Shortest Paths with Generative Flow Networks
Morozov, Nikita, Maksimov, Ian, Tiapkin, Daniil, Samsonov, Sergey
In this paper, we present a novel learning framework for finding shortest paths in graphs utilizing Generative Flow Networks (GFlowNets). First, we examine theoretical properties of GFlowNets in non-acyclic environments in relation to shortest paths. We prove that, if the total flow is minimized, forward and backward policies traverse the environment graph exclusively along shortest paths between the initial and terminal states. Building on this result, we show that the pathfinding problem in an arbitrary graph can be solved by training a non-acyclic GFlowNet with flow regularization. We experimentally demonstrate the performance of our method in pathfinding in permutation environments and in solving Rubik's Cubes. For the latter problem, our approach shows competitive results with state-of-the-art machine learning approaches designed specifically for this task in terms of the solution length, while requiring smaller search budget at test-time.
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Fairness under Graph Uncertainty: Achieving Interventional Fairness with Partially Known Causal Graphs over Clusters of Variables
Algorithmic decisions about individuals require predictions that are not only accurate but also fair with respect to sensitive attributes such as gender and race. Causal notions of fairness align with legal requirements, yet many methods assume access to detailed knowledge of the underlying causal graph, which is a demanding assumption in practice. We propose a learning framework that achieves interventional fairness by leveraging a causal graph over \textit{clusters of variables}, which is substantially easier to estimate than a variable-level graph. With possible \textit{adjustment cluster sets} identified from such a cluster causal graph, our framework trains a prediction model by reducing the worst-case discrepancy between interventional distributions across these sets. To this end, we develop a computationally efficient barycenter kernel maximum mean discrepancy (MMD) that scales favorably with the number of sensitive attribute values. Extensive experiments show that our framework strikes a better balance between fairness and accuracy than existing approaches, highlighting its effectiveness under limited causal graph knowledge.
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- Information Technology > Data Science > Data Mining (0.92)
- Information Technology > Artificial Intelligence > Representation & Reasoning > Uncertainty (0.68)
- Information Technology > Artificial Intelligence > Machine Learning > Learning Graphical Models > Directed Networks > Bayesian Learning (0.67)
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Beyond NNGP: Large Deviations and Feature Learning in Bayesian Neural Networks
Papagiannouli, Katerina, Trevisan, Dario, Zitto, Giuseppe Pio
We study wide Bayesian neural networks focusing on the rare but statistically dominant fluctuations that govern posterior concentration, beyond Gaussian-process limits. Large-deviation theory provides explicit variational objectives-rate functions-on predictors, providing an emerging notion of complexity and feature learning directly at the functional level. We show that the posterior output rate function is obtained by a joint optimization over predictors and internal kernels, in contrast with fixed-kernel (NNGP) theory. Numerical experiments demonstrate that the resulting predictions accurately describe finite-width behavior for moderately sized networks, capturing non-Gaussian tails, posterior deformation, and data-dependent kernel selection effects.
Effective sample size approximations as entropy measures
In this work, we analyze alternative effective sample size (ESS) metrics for importance sampling algorithms, and discuss a possible extended range of applications. We show the relationship between the ESS expressions used in the literature and two entropy families, the Rényi and Tsallis entropy. The Rényi entropy is connected to the Huggins-Roy's ESS family introduced in \cite{Huggins15}. We prove that that all the ESS functions included in the Huggins-Roy's family fulfill all the desirable theoretical conditions. We analyzed and remark the connections with several other fields, such as the Hill numbers introduced in ecology, the Gini inequality coefficient employed in economics, and the Gini impurity index used mainly in machine learning, to name a few. Finally, by numerical simulations, we study the performance of different ESS expressions contained in the previous ESS families in terms of approximation of the theoretical ESS definition, and show the application of ESS formulas in a variable selection problem.
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Sharp Convergence Rates for Masked Diffusion Models
Liang, Yuchen, Tan, Zhiheng, Shroff, Ness, Liang, Yingbin
Discrete diffusion models have achieved strong empirical performance in text and other symbolic domains, with masked (absorbing-rate) variants emerging as competitive alternatives to autoregressive models. Among existing samplers, the Euler method remains the standard choice in many applications, and more recently, the First-Hitting Sampler (FHS) has shown considerable promise for masked diffusion models. Despite their practical success, the theoretical understanding of these samplers remains limited. Existing analyses are conducted in Kullback-Leibler (KL) divergence, which often yields loose parameter dependencies and requires strong assumptions on score estimation. Moreover, these guarantees do not cover recently developed high-performance sampler of FHS. In this work, we first develop a direct total-variation (TV) based analysis for the Euler method that overcomes these limitations. Our results relax assumptions on score estimation, improve parameter dependencies, and establish convergence guarantees without requiring any surrogate initialization. Also for this setting, we provide the first convergence lower bound for the Euler sampler, establishing tightness with respect to both the data dimension $d$ and the target accuracy $\varepsilon$. Finally, we analyze the FHS sampler and show that it incurs no sampling error beyond that induced by score estimation, which we show to be tight with a matching lower error bound. Overall, our analysis introduces a direct TV-based error decomposition along the CTMC trajectory and a decoupling-based path-wise analysis for FHS, which may be of independent interest.
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A 1/R Law for Kurtosis Contrast in Balanced Mixtures
Bi, Yuda, Xiao, Wenjun, Bai, Linhao, Calhoun, Vince D
Abstract--Kurtosis-based Independent Component Analysis (ICA) weakens in wide, balanced mixtures. We also show that purification--selecting m R sign-consistent sources--restores R-independent contrast Ω(1/m), with a simple data-driven heuristic. Synthetic experiments validate the predicted decay, the T crossover, and contrast recovery. Independent Component Analysis (ICA) recovers statistically independent latent sources from linear mixtures and is identifiable whenever at most one source is Gaussian [1]. Excess kurtosis--the standardized fourth cumulant--is a central contrast function [9], and kurtosis-type nonlinearities remain standard in FastICA.
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- Health & Medicine > Health Care Technology (0.70)
- Health & Medicine > Therapeutic Area > Neurology (0.70)
Sampling from Constrained Gibbs Measures: with Applications to High-Dimensional Bayesian Inference
Wang, Ruixiao, Chen, Xiaohong, Chewi, Sinho
This paper considers a non-standard problem of generating samples from a low-temperature Gibbs distribution with \emph{constrained} support, when some of the coordinates of the mode lie on the boundary. These coordinates are referred to as the non-regular part of the model. We show that in a ``pre-asymptotic'' regime in which the limiting Laplace approximation is not yet valid, the low-temperature Gibbs distribution concentrates on a neighborhood of its mode. Within this region, the distribution is a bounded perturbation of a product measure: a strongly log-concave distribution in the regular part and a one-dimensional exponential-type distribution in each coordinate of the non-regular part. Leveraging this structure, we provide a non-asymptotic sampling guarantee by analyzing the spectral gap of Langevin dynamics. Key examples of low-temperature Gibbs distributions include Bayesian posteriors, and we demonstrate our results on three canonical examples: a high-dimensional logistic regression model, a Poisson linear model, and a Gaussian mixture model.
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- Information Technology > Artificial Intelligence > Representation & Reasoning > Uncertainty > Bayesian Inference (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Learning Graphical Models > Directed Networks > Bayesian Learning (0.45)
Differentially Private Truncation of Unbounded Data via Public Second Moments
Cao, Zilong, Bi, Xuan, Zhang, Hai
Data privacy is important in the AI era, and differential privacy (DP) is one of the golden solutions. However, DP is typically applicable only if data have a bounded underlying distribution. We address this limitation by leveraging second-moment information from a small amount of public data. We propose Public-moment-guided Truncation (PMT), which transforms private data using the public second-moment matrix and applies a principled truncation whose radius depends only on non-private quantities: data dimension and sample size. This transformation yields a well-conditioned second-moment matrix, enabling its inversion with a significantly strengthened ability to resist the DP noise. Furthermore, we demonstrate the applicability of PMT by using penalized and generalized linear regressions. Specifically, we design new loss functions and algorithms, ensuring that solutions in the transformed space can be mapped back to the original domain. We have established improvements in the models' DP estimation through theoretical error bounds, robustness guarantees, and convergence results, attributing the gains to the conditioning effect of PMT. Experiments on synthetic and real datasets confirm that PMT substantially improves the accuracy and stability of DP models.
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Scaling Laws for Precision in High-Dimensional Linear Regression
Zhang, Dechen, Tang, Xuan, Liang, Yingyu, Zou, Difan
Low-precision training is critical for optimizing the trade-off between model quality and training costs, necessitating the joint allocation of model size, dataset size, and numerical precision. While empirical scaling laws suggest that quantization impacts effective model and data capacities or acts as an additive error, the theoretical mechanisms governing these effects remain largely unexplored. In this work, we initiate a theoretical study of scaling laws for low-precision training within a high-dimensional sketched linear regression framework. By analyzing multiplicative (signal-dependent) and additive (signal-independent) quantization, we identify a critical dichotomy in their scaling behaviors. Our analysis reveals that while both schemes introduce an additive error and degrade the effective data size, they exhibit distinct effects on effective model size: multiplicative quantization maintains the full-precision model size, whereas additive quantization reduces the effective model size. Numerical experiments validate our theoretical findings. By rigorously characterizing the complex interplay among model scale, dataset size, and quantization error, our work provides a principled theoretical basis for optimizing training protocols under practical hardware constraints.