Genre
Semiparametric Efficient Bilevel Gradient Estimation
Khoury, Fares El, Zenati, Houssam, Kallus, Nathan, Arbel, Michael, Bibaut, Aurélien
Bilevel optimization provides a natural framework for problems in which one learning task is constrained by the solution of another. This hierarchical structure appears across machine learning, including hyperparameter optimization [43, 39, 36], meta-learning [20, 18, 45], inverse problems and optimal control [31, 1], reinforcement learning [25], domain adaptation [35], and instrumental variable regression [42, 50, 49]. In these applications, the outer parameter is typically updated using gradient-based methods, so the quality of the resulting bilevel gradient directly affects both optimization and statistical performance. Most existing theory for bilevel optimization has been developed in finite-dimensional parametric settings, often under strong convexity of the lower-level problem [21, 27, 29, 61]. This assumption gives a unique inner solution and makes implicit differentiation stable [43, 36]. It is also convenient for algorithmic convergence and stability analyses [9, 23, 40].
$L^2$ over Wasserstein: Statistical Analysis for Optimal Transport
Passeggeri, Riccardo, Shenoy, Rohan M., Ye, Pengcheng
Optimal transport provides an inherently geometric and highly structured framework for studying spaces of probability measures, supplying a rich theoretical toolkit for contemporary statistics, machine learning, and generative modelling. In applications, however, the measures of interest are almost never known precisely, calling for a theory of optimal transport that accounts for statistical uncertainty. We construct such a framework, lifting the classical theory to the setting of random probability measures. We introduce the $L^2$ over Wasserstein space establishing that it inherits the formal Riemannian structure of the Wasserstein space by characterising distances and geodesic geometry. The structure induces random flows with Wasserstein gradient flow sample paths, making it the natural extension of the Wasserstein space which allows for random gradient flow dynamics. We ensemble statistical convergence results of the optimal transport machinery using the empirical measure within the $L^2$ over Wasserstein framework. Moreover, in the setting of Bayesian non-parametrics, we refine Schwartz's consistency theorem to the Wasserstein topology and deduce posterior convergence of the same machinery in the $L^2$ over Wasserstein space. We demonstrate that the growing theory of random token sampling for transformer models using self-attention flow paths can be embedded into the our framework. The results provide a unified treatment of random optimal transport and its consequences for principled inference and generative modelling under the statistical uncertainty of random sampling.
On the Regularity and Generalization of One-Step Wasserstein-guided Generative Models for PDE-Induced Measures
Lin, Likun, Wang, Zhongjian, Xin, Jack, Zhang, Zhiwen
Despite the remarkable empirical success of generative models, the available theory on their statistical accuracy in scientific computing remains largely pessimistic. This paper develops a theoretical framework for understanding the regularity of transport maps and the generalization properties of one-step Wasserstein-guided generative models for PDE-induced probability measures. We consider normalized target densities associated with linear elliptic and parabolic equations on bounded domains, as well as diffusion and Fokker--Planck equations on the torus. Under standard structural assumptions, we prove that these target measures satisfy doubling conditions. By combining this fact with regularity theory for optimal transport between doubling measures, we show that the optimal transport map from a uniform source measure to the target measure is Hölder continuous. This regularity yields an approximation-theoretic justification for one-step generative models that learn PDE-induced distributions via a single pushforward map. As a representative instance, we study DeepParticle and derive excess-risk bounds characterizing the discrepancy between the learned map and the population-optimal map. We also establish a robustness estimate under target shift and illustrate the theory with experiments which support the derived rates.
Memorisation, convergence and generalisation in generative models
Maillard, Antoine, Goldt, Sebastian
Generative neural networks learn how to produce highly realistic images from a large, but finite number of examples - or do they simply memorise their training set? To settle this question, Kadkhodaie, Guth, Simoncelli and Mallat (ICLR '24) trained diffusion models independently on disjoint subsets of a dataset and showed that they converge to nearly the same density when the number of training images is large enough. This result raises two basic questions: how much data do you need for convergence, and what does convergence capture about learning the data distribution? Here, we address these questions by providing an exact analytical characterisation of the transition from memorisation to generalisation in linear generative models. We find that these models memorise at small load, while convergence emerges continuously when the number of samples is linear in the input dimension. Strikingly, we find that convergence is insensitive to recovery of the principal latent factors of the data, which are recovered in a sharp transition. After extending our approach to data with power-law spectra, we find the same distinction between convergence and latent recovery in our experiments with convolutional denoisers and in the data of Kadkhodaie et al. We thus show that generalisation in generative models decomposes into at least two distinct objectives: matching the bulk of the data distribution and recovering the principal latent factors. These objectives correspond to two different distances between true and learnt data distribution, and only the first one is captured by convergence.
Neural Negative Binomial Regression for Weekly Seismicity Forecasting: Per-Cell Dispersion Estimation and Tail Risk Assessment
Earthquake forecasting is a critical task for natural risk management, infrastructure resilience planning, and emergency response operations. For Central Asia, and the Tian Shan mountain system in particular, this problem carries heightened importance due to high tectonic activity, complex geodynamics, and pronounced spatiotemporal heterogeneity of seismic processes. In the applied setting, the goal is not a deterministic forecast of individual events, but a macroscopic forecast of seismicity intensity: estimating the expected number of earthquakes with magnitude M 3.0 on a spatial grid at a weekly horizon. Historically, count data forecasting in fixed spatiotemporal cells has been formulated within the Poisson framework. However, its key assumption--equality of the conditional mean and conditional variance--is systematically violated in real seismological data. Earthquakes exhibit pronounced clustering associated with swarm activity, foreshock-aftershock sequences, and episodes of anomalous activity, resulting in overdispersion in which the variance substantially exceeds the mean. Under these conditions, uncritical application of the Poisson distribution leads to biased uncertainty estimates and, consequently, to underestimation of the risk of extreme scenarios. Despite the widespread adoption of machine learning methods in seismological problems, a substantial portion of existing work remains methodologically vulnerable. On one hand, several approaches apply continuous regression loss functions and metrics (e.g., MSE), ignoring the
Quantifying Hyperparameter Transfer and the Importance of Embedding Layer Learning Rate
Kalra, Dayal Singh, Barkeshli, Maissam
Hyperparameter transfer allows extrapolating optimal optimization hyperparameters from small to large scales, making it critical for training large language models (LLMs). This is done either by fitting a scaling law to the hyperparameters or by a judicious choice of parameterization, such as Maximal Update ($μ$P), that renders optimal hyperparameters approximately scale invariant. In this paper, we first develop a framework to quantify hyperparameter transfer through three metrics: (1) the quality of the scaling law fit, (2) the robustness to extrapolation errors, and (3) the asymptotic loss penalty due to choice of parameterization. Next, we investigate through a comprehensive series of ablations why $μ$P appears to offer high-quality learning rate transfer relative to standard parameterization (SP), as existing theory is inadequate. We find that the overwhelming benefit of $μ$P relative to SP when training with AdamW arises simply from maximizing the learning rate of the embedding layer. In SP, the embedding layer learning rate acts as a bottleneck that induces training instabilities; increasing it by a factor of width to match $μ$P dramatically smooths out training while improving hyperparameter transfer. We also find that weight decay improves the scaling law fits, while, in the fixed token-per-parameter setting, it hurts the robustness of the extrapolation.
GRALIS: A Unified Canonical Framework for Linear Attribution Methods via Riesz Representation
The main XAI attribution methods for deep neural networks -- GradCAM, SHAP, LIME, Integrated Gradients -- operate on separate theoretical foundations and are not formally comparable. We present GRALIS (Gradient-Riesz Averaged Locally-Integrated Shapley), a mathematical framework establishing a representation theory for attributions: every additive, linear, and continuous attribution functional on L^2(Q,mu) admits a unique canonical representation (Q, w, Delta), proved necessary by the Riesz Representation Theorem. This class encompasses SHAP, IG, LIME and linearized GradCAM, but excludes nonlinear functionals such as standard GradCAM or attention maps. Seven formal theorems provide simultaneous guarantees absent in any individual method: (T1) necessary canonical form; (T2) exact completeness; (T3) Monte Carlo convergence O(1/sqrt(m))+O(1/k); (T4) exact Shapley Interaction Values; (T5) Hoeffding ANOVA decomposition; (T6) Sobol sensitivity generalization; (T7) multi-scale extension (MS-GRALIS) with minimum-variance weights. An algebraic appendix justifies the GRALIS-SIV correspondence via the Mobius transform without circularity. GRALIS satisfies 13.5/14 axiomatic properties vs. 2.5-6/14 for individual methods, including completeness, sensitivity, locality, order-k interactions and optimal multi-scale aggregation simultaneously. Preliminary validation on BreaKHis (1,187 histology images, DenseNet-121) reports deletion faithfulness AUC +0.015 (malignant), 96% class-conditional consistency, SAL = 0.762+/-0.109 and sparsity index 0.39. Extended comparison with baseline XAI methods is planned for a companion paper.
Minimax optimal submatrix detection: Sharp non-asymptotic rates
Given an observation $\mathbf Y \in \mathbb{R}^{d_1\times d_2}$ from the model $\mathbf Y = \mathbf X + \mathbf E$ where $\mathbf X$ is constant and $\mathbf E$ has i.i.d. $N(0,1)$ entries, we consider the problem of detecting a planted submatrix in the mean matrix $\mathbf X$. Specifically, we aim to distinguish the null hypothesis $\mathbf X = 0$ from the alternative hypothesis in which $\mathbf X$ is non-zero only on a submatrix of size $s_1 \times s_2$ with elevated entries bounded below by $μ>0$. We establish a minimax lower bound characterizing how large $μ$ must be to ensure that the two hypotheses are distinguishable with high probability. Furthermore, we derive novel minimax-optimal tests achieving the lower bound, and describe extensions of these tests that are adaptive to unknown sparsity levels $s_1$ and $s_2$. In contrast with previous work, which required restrictive assumptions on $s_1,s_2, d_1$ and $d_2$, our non-asymptotic upper and lower bounds match for any configuration of these parameters.
Accurate Evaluation of Quickest Changepoint Detectors via Non-parametric Survival Analysis
Miyagawa, Taiki, Ebihara, Akinori F.
We propose non-parametric estimators for the average run length (ARL) and average detection delay (ADD) in quickest changepoint detection (QCD) under finite and irregular sequence lengths. Although ARL and ADD are widely used as optimality criteria in theoretical and simulation studies, their application to real-world datasets is hindered by limited and irregular sequence lengths. To address this issue, we propose non-parametric estimators for the ARL and ADD, termed KM-ARL and KM-ADD, by drawing an analogy between QCD and survival analysis to model detection probabilities under sequence truncation. We derive estimation bias bounds and prove that they are asymptotically unbiased unless extrapolation is required. Experiments on simulated and real-world datasets demonstrate their practical utility, enhancing robustness against limited and irregular sequence lengths, improving interpretability, and facilitating empirical, intuitive model selection. Our Python code is provided at https://github.com/TaikiMiyagawa/Kaplan-Meier-Average-Run-Length, offering ready-to-use implementations for practitioners.
When Individually Calibrated Models Become Collectively Miscalibrated
A natural assumption is that if each model is individually calibrated, the aggregate prediction will also be well calibrated. We show that this assumption fails in multi-agent settings: individually calibrated predictors can become collectively miscalibrated when their predictions interact strategically--where "strategically" refers to the game-theoretic sense of Brier-optimal local response, not deliberate gaming or collusion, and arises naturally whenever agents are independently trained on overlapping data. This phenomenon affects multiple independent agents in federated healthcare, multi-vendor intrusion detection, and crowdsourced forecasting, where agents optimize their own objectives. Specifically, we prove that under Brier-score-based aggregation with positively correlated beliefs each agent's individually optimal report systematically underestimates the positive-class probability, yielding a Price of Anarchy strictly greater than one whenever Cov(bi,bj) > 0. At our canonical setting (n=5 agents, pairwise correlation ρ=0.5, base rate µ=0.3, threshold τ=0.3) the empirically measured PoA in false-negative rate is 7.25 (mean aggregate bias 0.375). In contrast, VCG-based aggregation, which rewards each agent's marginal contribution to aggregate accuracy, achieves dominant-strategy incentive compatibility and the lowest empirical PoA among all mechanisms studied (PoA 1.0). On three real-world datasets (NSL-KDD, UNSW-NB15, Credit Card Fraud) with featurepartitioned agents, VCG provides the strongest robustness guarantees among the aggregation methods we evaluate, while maintaining comparable accuracy. In data-sparse regimes (n 500), VCG consistently outperforms stacking and majority voting; under adversarial agents, VCG maintains substantially lower false-negative rates than robust aggregation baselines. Adaptive weight updates further reduce false negatives by 20-22% under distribution shift, with O( T) online regret guarantees. These results establish that how probabilistic predictions are aggregated matters as much as how well individual models are calibrated.