Persistent homology (PH) encodes global information, such as cycles, and is thus increasingly integrated into graph neural networks (GNNs). PH methods in GNNs typically traverse an increasing sequence of subgraphs. In this work, we first expose limitations of this inclusion procedure. To remedy these shortcomings, we analyze contractions as a principled topological operation, in particular, for graph representation learning. We study the persistence of contraction sequences, which we call Contraction Homology (CH). We establish that forward PH and CH differ in expressivity. We then introduce Hourglass Persistence, a class of topological descriptors that interleave a sequence of inclusions and contractions to boost expressivity, learnability, and stability. We also study related families parametrized by two paradigms. We also discuss how our framework extends to simplicial and cellular networks. We further design efficient algorithms that are pluggable into end-to-end differentiable GNN pipelines, enabling consistent empirical improvements over many PH methods across standard real-world graph datasets. Code is available at \href{https://github.com/Aalto-QuML/Hourglass}{this https URL}.

We study high-dimensional mediation analysis in which exposures, mediators, and outcomes are all multivariate, and both exposures and mediators may be high-dimensional. We formalize this as a many (exposures)-to-many (mediators)-to-many (outcomes) (MMM) mediation analysis problem. Methodologically, MMM mediation analysis simultaneously performs variable selection for high-dimensional exposures and mediators, estimates the indirect effect matrix (i.e., the coefficient matrices linking exposure-to-mediator and mediator-to-outcome pathways), and enables prediction of multivariate outcomes. Theoretically, we show that the estimated indirect effect matrices are consistent and element-wise asymptotically normal, and we derive error bounds for the estimators. To evaluate the efficacy of the MMM mediation framework, we first investigate its finite-sample performance, including convergence properties, the behavior of the asymptotic approximations, and robustness to noise, via simulation studies. We then apply MMM mediation analysis to data from the Alzheimer's Disease Neuroimaging Initiative to study how cortical thickness of 202 brain regions may mediate the effects of 688 genome-wide significant single nucleotide polymorphisms (SNPs) (selected from approximately 1.5 million SNPs) on eleven cognitive-behavioral and diagnostic outcomes. The MMM mediation framework identifies biologically interpretable, many-to-many-to-many genetic-neural-cognitive pathways and improves downstream out-of-sample classification and prediction performance. Taken together, our results demonstrate the potential of MMM mediation analysis and highlight the value of statistical methodology for investigating complex, high-dimensional multi-layer pathways in science. The MMM package is available at https://github.com/THELabTop/MMM-Mediation.

Efficient global optimization (EGO) is one of the most widely used noise-free Bayesian optimization algorithms.It comprises the Gaussian process (GP) surrogate model and expected improvement (EI) acquisition function. In practice, when EGO is applied, a scalar matrix of a small positive value (also called a nugget or jitter) is usually added to the covariance matrix of the deterministic GP to improve numerical stability. We refer to this EGO with a positive nugget as the practical EGO. Despite its wide adoption and empirical success, to date, cumulative regret bounds for practical EGO have yet to be established. In this paper, we present for the first time the cumulative regret upper bound of practical EGO. In particular, we show that practical EGO has sublinear cumulative regret bounds and thus is a no-regret algorithm for commonly used kernels including the squared exponential (SE) and Matérn kernels ($ν>\frac{1}{2}$). Moreover, we analyze the effect of the nugget on the regret bound and discuss the theoretical implication on its choice. Numerical experiments are conducted to support and validate our findings.

We establish convergence of the training dynamics of residual neural networks (ResNets) to their joint infinite depth L, hidden width M, and embedding dimension D limit. Specifically, we consider ResNets with two-layer perceptron blocks in the maximal local feature update (MLU) regime and prove that, after a bounded number of training steps, the error between the ResNet and its large-scale limit is O(1/L + sqrt(D/(L M)) + 1/sqrt(D)). This error rate is empirically tight when measured in embedding space. For a budget of P = Theta(L M D) parameters, this yields a convergence rate O(P^(-1/6)) for the scalings of (L, M, D) that minimize the bound. Our analysis exploits in an essential way the depth-two structure of residual blocks and applies formally to a broad class of state-of-the-art architectures, including Transformers with bounded key-query dimension. From a technical viewpoint, this work completes the program initiated in the companion paper [Chi25] where it is proved that for a fixed embedding dimension D, the training dynamics converges to a Mean ODE dynamics at rate O(1/L + sqrt(D)/sqrt(L M)). Here, we study the large-D limit of this Mean ODE model and establish convergence at rate O(1/sqrt(D)), yielding the above bound by a triangle inequality. To handle the rich probabilistic structure of the limit dynamics and obtain one of the first rigorous quantitative convergence for a DMFT-type limit, we combine the cavity method with propagation of chaos arguments at a functional level on so-called skeleton maps, which express the weight updates as functions of CLT-type sums from the past.

Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

Intelligent agents must be generalists, capable of quickly adapting to various tasks.

If a relaxation's solution satisfies the integer requirements, it is a valid solution to