Genre
On the Epistemic Uncertainty of Overparametrized Neural Networks
Epistemic uncertainty is often viewed as a reducible uncertainty that vanishes with increasing data. This perspective implicitly assumes parameter identifiability and equates epistemic uncertainty with predictive variability. In overparametrized neural networks, however, model parameters are typically non-identifiable due to symmetries and redundant representations. As a consequence, substantial parameter uncertainty can persist even when the underlying function is fully identified. In this work, we analyze epistemic uncertainty through the lens of non-identifiability and characterize both discrete and continuous sources of residual uncertainty. Focusing on one-hidden-layer ReLU networks, we thoroughly analyze the resulting posterior structure and validate our theoretical insights through empirical studies.
Boosted Stochastic Frank-Wolfe for Constrained Nonconvex Optimization
Nandhan, Navil, Khademi, Abbas, Silveti-Falls, Antonio
The boosted Frank-Wolfe algorithm accelerates the classical Frank-Wolfe algorithm by better aligning the update direction with the negative gradient. Its analysis, however, has been limited to deterministic convex problems, with step sizes that require either line search or knowledge of the Lipschitz constant of the gradient. We develop a novel step size strategy that does not depend on the Lipschitz constant of the gradient, which allows us to extend the boosted Frank-Wolfe algorithm to the stochastic setting. We prove that boosting with this step size strategy can be combined with many modern gradient estimators, including SAGA, L-SVRG, SAG, Heavy Ball momentum, and zeroth-order estimators, among others, while retaining the worst-case convergence rates of ordinary stochastic Frank-Wolfe. Our analysis also yields the first convergence rates for boosted Frank-Wolfe on nonconvex and quasar-convex objectives, results which are new even for deterministic problems. Experiments on sparse logistic regression and quantum process tomography show that stochastic boosted Frank-Wolfe achieves faster convergence per gradient oracle call (and on wall-clock) compared to the non-boosted baseline.
Choosing Online Experiment Designs under Interference in Ads, Recommendations, and Member-Experience Systems
Shekhar, Prashant, Howard, Caroline
Online experiments in ads, recommendation, and member-experience systems are often planned before the dominant interference mechanism is known. A treatment may propagate through budgets, inventory, producer exposure, graph spillovers, or temporal carryover, making the randomization design itself a statistical decision. We formulate this problem as robust design selection over uncertain exposure mechanisms. Given a finite catalog of six implementable designs, the selector compares each design by worst-case planning risk over an ambiguity set. The risk combines exposure bias, assignment-unit variance, minimum detectable effect, contamination or carryover, operational cost, and estimand mismatch. For theoretical justification, the paper develops a geometry-aware guarantee, stating that design bias is bounded by Wasserstein distance to the launch exposure distribution, and this penalty is minimax tight under Lipschitz exposure response. We also prove finite-catalog approximation and a robust selector theorem with excess-risk control, exact recovery under separation, and certified shortlists when the risk surface is flat. Empirically, the same selector gives different recommendations across samples from public datasets. It selects user-randomization on Criteo ads with dimensionless robust risk 1.295, switchbacks on Open Bandit-bts/men with risk 2.105, and cluster-randomization on KuaiRand with risk 2.240. The Open Bandit case stresses known but uneven logging support, with propensities from 0.00006 to 0.594 and a 5.17% IPS effective-sample share. Overall, the paper contributes an interference-aware experiment design framework based on mechanism-robust design decisions, where the output is either a justified design choice or an uncertainty shortlist.
Algorithms with Polynomially-Improved Approximation Factors for the $2 \rightarrow q$ Norm, and Applications
Hopkins, Samuel B., Tiegel, Stefan
The $2 \rightarrow q$ norm of a matrix $X \in \mathbb{R}^{n \times d}$ is defined as $\lVert X \rVert_{2 \rightarrow q} = \sup_{\lVert v \rVert_2 = 1} \lVert Xv \rVert_q$. We give polynomial-time multiplicative approximation algorithms for this norm when $q > 2$ (i.e. in the hypercontractive setting). This problem either directly captures or is closely related to long-standing open problems in combinatorial optimization and hardness of approximation (e.g. Small Set Expansion), quantum information (e.g. Best Separable State), and algorithmic statistics. Very little is known about what approximation factors we can achieve for this problem in polynomial time, even though such approximations have significant downstream consequences. Barak, Brandão, Harrow, Kelner, Steurer, and Zhou showed that no polynomial-time algorithm can achieve an approximation factor better than $2^{\sqrt{\log n}}$, assuming the Exponential Time Hypothesis (FOCS'12). On the other hand, a simple spectral algorithm gives a $d^{1/4}$-approximation as a baseline. We give, to the best of our knowledge, the first polynomial-time approximation algorithm beating this baseline by polynomial factors. For the important special case of $q = 4$ it achieves a $d^{1/8}$-approximation. All previous algorithms required additional assumptions on $X$, or only surpassed the baseline for small values of $n$. Moreover, we construct sum-of-squares certificates for the $2 \rightarrow q$ norm. This directly implies improved algorithms for robust mean and covariance estimation, robust regression, and clustering, when the data only satisfies a bound on its $q$-th moment.
UWM-JEPA: Predictive World Models That Imagine in Belief Space
Radha, Santosh Kumar, Goktas, Oktay
World models for partially observed environments must imagine multiple compatible hidden futures and steer between them under counterfactual actions. Joint Embedding Predictive Architectures (JEPAs) do this in latent space, but a vector-valued latent has no internal structure for carrying the belief over hidden continuations through blind rollout. We introduce the Unitary World Model JEPA (UWM-JEPA), a JEPA world model with a density-matrix latent on a joint system-environment space and a learned unitary predictor. The construction preserves the joint-state spectrum exactly during rollout, so the predictor itself cannot dissipate the represented uncertainty. On a hidden-velocity indicator task requiring five-step forward simulation under a given action sequence with the target observation masked, UWM-JEPA reaches 0.77 accuracy and degrades monotonically as actions are perturbed; a parameter-matched LSTM-JEPA trained under the same counterfactual-target objective and action head collapses to majority-class accuracy (0.53) under every action condition. Under blind rollout, UWM-JEPA loses fewer than ten points of probe R^2 at short horizons while vector-latent baselines lose forty-one and sixty-eight; both nevertheless tie on a held-out context probe, locating the separation in the predictor rather than the encoder. Action sensitivity itself requires training against counterfactual rather than teacher-forced targets, a finding that applies beyond the unitary parameterisation. For JEPA world models to imagine under partial observability, latent geometry and predictor dynamics matter, not frozen context-encoding capacity alone.
Learning manifold diffusion semigroups from graph transition matrices
We consider graph diffusion processes constructed from finite i.i.d. samples drawn from an unknown manifold embedded in ambient Euclidean space, where the graph affinity is defined by an ambient Gaussian kernel matrix. We show that the manifold heat semigroup $Q_t = e^{tΔ}$ can be approximated directly by iterating the graph transition matrix $P$, under only low regularity assumptions on the test function $f$, including the case $f \in L^\infty$. We bound $\| P^n f - Q_t f \|$ in $\infty$-norm, with the operator application to $f$ properly defined, and we recover the classical graph-Laplacian pointwise rate $O(N^{-2/(d+6)})$ up to logarithmic factors, for diffusion times $t $ up to $O(1)$ and longer. The rate holds for in-sample error as well as out-of-sample generalization, where the estimator of $Q_t f$ at a new point is defined via kernel convolution. To handle non-uniform sampling densities on the manifold, we introduce a right-normalization of the graph transition matrix; under the assumption that the sampling density $p$ is $C^3$ and bounded away from zero, the same convergence rates hold. We numerically demonstrate the performance of the proposed estimator on simulated data.
Different Statistical Perspectives for Understanding Generalisation in Graph Neural Networks
Ayday, Nil, Sabanayagam, Mahalakshmi, Ghoshdastidar, Debarghya
Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited mathematical understanding of the performance of GNNs. We discuss the various perspectives used to study statistical generalisation in GNNs. We identify three broad frameworks. The first approach, rooted in learning theory, relies on uniform convergence bounds and the complexity of the hypothesis class of specific GNN architectures. This approach also builds on the expressivity of GNNs, typically studied through the lens of graph isomorphism tests. The second principle is to simplify the neural architecture by analysing GNNs under the asymptotics of infinitely many parameters or infinite graph size. This approach approximates GNNs using Gaussian processes, neural tangent kernels or graphon neural network operators, which allow studying the generalisation or stability of trained GNNs. The third framework studies GNNs under random graph models, often the contextual stochastic block model, and derives non-asymptotic error rates using tools from high-dimensional statistics. We highlight some key theoretical results and discuss a few limitations and open research questions for each perspective.
Mean-Shift PCA by Knockoff Mean
Li, Mengda, Li, Zeng, Yao, Jianfeng
Removing noise is difficult, but adding noise is easy. In this work, we show how to eliminate mean-shift noisy components from PCA by deliberately introducing knockoff mean-shift perturbation. Standard PCA is highly sensitive to shifts in the sample mean: a small fraction of samples from a shifted distribution can cause large deviations in the leading principal components. In high-dimensional regimes, existing Robust PCA approaches cannot handle the mean-shift contamination structure inherent in the mixture model. Using tools from Random Matrix Theory, we prove that the mean-shift spikes are spectrally separable from the stable eigenvalues of the original covariance. Furthermore, the original eigenspace remains asymptotically invariant to the contamination, independent of the mixture weight. Exploiting this spectral stability, we propose a simple, two-stage PCA algorithm by adding knockoff mean that identifies and removes the mean-shift component using only standard PCA operations.
Guided Flow Matching for Forward and Inverse PDE Problems with Sparse Observations: Algorithm and Theory
Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and solutions (or final states), enabling both forward simulation and inverse recovery with limited paired data. At inference, sampling is guided by a composite loss that enforces agreement with sparse measurements and reduces the PDE residual; we support deterministic, stochastic, and hybrid samplers. We provide error guarantees for these guided procedures. For the deterministic optimizer, a coercivity condition ensures trajectory boundedness and a phase-wise contraction yields logarithmic complexity in the target accuracy. For the stochastic sampler, we introduce adaptive guidance and assume dissipativity of the velocity field to obtain uniform moment bounds independent of the noise-floor parameter. This leads to polynomial-time error bounds, and a matching lower bound shows constant guidance induces an unavoidable positive bias, motivating adaptivity. A hybrid deterministic-stochastic analysis is also provided. Experiments on static and time-dependent benchmark PDEs demonstrate competitive accuracy and faster inference than diffusion-based generative models.
Optimal Design for Multinomial Logit Model with Applications to Best Assortment Identification
We study optimal experimental design for multinomial logit (MNL) bandits, where an agent repeatedly selects a subset of $K$ items from a ground set of size $N$ and observes single-choice feedback. Unlike linear or generalized linear bandits, MNL bandits have a combinatorial action space, which makes classical optimal design approaches and naive optimization over all subsets computationally intractable. We propose a computationally efficient optimal design framework for MNL models that achieves both statistical efficiency and scalability through two complementary approaches: (i) an exact or certified-approximate reformulation of the design oracle as a $0$-$1$ mixed-integer linear program (MILP) with solver-certified early stopping, and (ii) a fully polynomial-time lifted design that replaces the nonlinear objective with a tractable surrogate. Using the Kiefer-Wolfowitz equivalence theorem, we establish near G-optimality guarantees and characterize the induced statistical-computational trade-offs. As an application, we develop a best assortment identification algorithm for MNL bandits with linear utilities and non-uniform revenues, and prove an instance-dependent sample complexity of $\tilde{O}\big(\frac{d \log N}{Δ^2}\big)$, where $d$ is the feature dimension, $N$ is the number of arms, and $Δ$ is the minimum revenue gap.