Flow matching (FM) has emerged as a powerful framework for learning dynamic transport maps between two empirical distributions. However, less explored is the setting with intermediate observed marginals that can help constrain the flows between the endpoints. This "multimarginal" regime is central to modeling temporal evolution in dynamical systems in many scientific domains that can sample sequential distributions. We tackle this problem with a novel approach that leverages the connection between FM and dynamic optimal transport (OT), softly steering the flow towards the intermediate marginals through potential terms in the dynamic OT action. By extending the conditional FM learning target to incorporate these potentials, we derive an efficient, simulation-free algorithm for multimarginal FM that offers considerable flexibility in the spatiotemporal dynamics of the learned flows. We demonstrate state-of-the-art performance and training efficiency of OT-potential FM (OTP-FM) on diverse single-cell RNA sequencing, oceanographic, and meteorological datasets. Our code is available at https://github.com/Bexorg-Inc/OTP-FM.

Follow-the-regularized-leader framework has shown effectiveness and flexibility in online learning problems, where the choice of learning rates are known to be crucial. Recently, adaptive learning rates defined in terms of the arm-selection probabilities, obtained by solving convex optimization, have achieved improved best-of-both-worlds (BOBW) guarantees in various bandit problems. In contrast, BOBW guarantees for its computationally efficient alternative, follow-the-perturbed-leader (FTPL), remain relatively limited since its optimization-free nature ironically makes the design of adaptive, probability-dependent learning rates non-trivial. To address this challenge, we propose an adaptive learning rate for FTPL by introducing surrogate probability functions that can be computed only from the available quantities, without requiring the exact probabilities. Based on these learning rates with surrogate functions, we provide the BOBW guarantee for FTPL with Pareto perturbations for any shape parameter $α>1$, generalizing prior results restricted to specific choices of $α=2$. We further show the BOBW guarantees for FTPL with adaptive learning rates in the bandit problem with expert advices. Our approach preserves the computational simplicity of FTPL while enabling probability-dependent adaptivity, and the surrogate-based methodology may be of independent interest in other algorithmic frameworks beyond FTPL and learning rate designs.

Estimating local mean curvature at each point of a high-dimensional dataset is a key ingredient of geometry-aware machine learning algorithms, such as the Mean Curvature Boundary Points (MCBP) method. The naive implementation of this computation, based on a local shape operator approximated from k-nearest neighbor patches, involves an explicit construction of a matrix $H$ whose trace form yields an $O(m^4)$ cost per point, rendering the approach intractable for datasets with more than a few dozen features. This paper introduces two complementary contributions that together reduce this cost by several orders of magnitude. The first contribution is an exact algebraic identity. This identity, derived from the orthogonality of the eigenvectors of the covariance matrix and the cyclicity of the trace operator, eliminates $H$ entirely and reduces the per-point cost to $O(m^2)$ after the eigendecomposition. The second contribution addresses the remaining $O(m^3)$ bottleneck of the full eigendecomposition. Since the local covariance matrix has rank at most $k-1 \ll m$, we replace it with a truncated SVD of the $k \times m$ centered data matrix, an $O(k^2 m)$ operation, and derive an analytical approximation for the contribution of the null-space eigenvectors based on the expected value of their outer product under the Haar measure. The resulting estimator has total cost $O(k^2 m + k m p^2)$, where $p = k-1$. Experiments on real-world datasets confirm speedups of 50 to 300 times relative to the original implementation, with negligible loss when the fast estimator is used to replace the original version. By providing a scalable and data-driven estimate of local curvature, the proposed method establishes curvature as a practical geometric feature for a broad range of machine learning tasks, from classical to modern deep learning pipelines.

The sub-Gaussian parameter (also called the variance proxy) of a mean-zero random variable $X$ is defined as $ξ^2_* = \sup_{λ\in \mathbb{R}} L(λ)$ where $L(λ) = \frac{2}{λ^2} \log \mathbb{E} e^{λX}$ is a weighted cumulant generating function. Despite the ubiquity of sub-Gaussian random variables, the estimation of $ξ^2_*$ has received little attention and is not yet well understood. In this work, we study a natural estimator of $ξ^2_*$ based on constrained maximization of the empirical analogue of $L$. We prove that the estimator is consistent bound the rates of convergence under assumptions on $L$: if $L$ has an maximizer, then our bound is $O_p(n^{-1/2 + \varepsilon})$ for any $\varepsilon > 0$; if the argmax of $L$ is also bounded, then the bound improves to $O_p(n^{-1/2})$. We show that our assumptions on $L$ are necessary by proving that the minimax risk over all sub-Gaussian distributions is $Ω(1)$; imposing increasingly strong assumptions on the tail growth of $L$ yields a continuum of classes whose minimax lower bound interpolates between $Ω(1/\log n)$ and $Ω(1)$. Root-n rate is possible if we restrict to a subclass of distributions where $L$ attains its supremum in a bounded region, in which case our estimator is minimax optimal. If the underlying distribution is not sub-Gaussian, we show that our estimator goes to infinity with a divergence rate controlled by the tail of the distribution. Finally, we apply our estimator in a Gene Ontology (GO) enrichment study to construct p-values for a large-scale permutation test, showing that it can serve as a reliable alternative to the peaks-over-threshold approach, particularly in regimes where the peaks-over-threshold method is of uncertain validity.

We consider multi-environment prediction problems. We assume the environments change the distribution of a latent variable, while the mechanisms generating observed covariates and targets remain stable conditional on that variable. For example, hospitals or clinical cohorts may differ in the prevalence of latent patient states, even though the relationships between those states, physiological measurements, and outcomes remain unchanged. Given a dataset from multiple environments, we formulate a Bayesian model for such problems and derive the corresponding variational objective. We show that this objective decomposes into per-environment terms and an additional cross-environment balancing term induced by the model's structure. We use an empirical Bayes method to set the prior and incorporate it into the objective. Based on this objective, we develop an amortized variational algorithm for posterior approximation, and use the resulting learned latent variables to form predictions in new environments. We study our approach through simulations and real-world studies of astronomical source identification, microbiome-based disease detection, and ICU sepsis prediction. Across these settings, our method outperforms previous approaches for prediction in new environments.

Whilst the vulnerability of graph neural networks (GNNs) to adversarial attacks poses a critical threat to graph representation learning, the understanding of the robust generalization behavior remains a fundamental challenge in the adversarial setting. Recently, PAC-Bayesian margin-based generalization analysis substantially advances this line of research by providing a flexible and data-dependent analytical framework. However, existing robust analyses often rely on isotropic Gaussian posteriors and control weight perturbations in the full parameter space, which limits the ability to capture heterogeneous parameter sensitivity yet hinges on hidden-width-dependent complexity terms, resulting in not-tight-enough generalization bounds. In this paper, we extend a recently proposed sensitivity-aware PAC-Bayesian framework from deep neural networks to message passing GNNs (MPGNNs) and derive a tighter robust generalization bound in the adversarial setting. Specifically, we first quantify how sensitive the perturbations across different parameter blocks are to the network outputs by deriving the output Jacobians with respect to the weight parameters. Exploiting the fact that these Jacobian matrices have rank at most $K$ in $K$-class graph classification, we then construct Jacobian-aligned sensitivity matrices and use anisotropic Gaussian posteriors with optimized covariances to upper bound the KL divergence in a tight way. Notably, by refining the spectral-norm dependence on the learned weights and reducing the leading dimension factor from hidden-width-dependent terms to the number of classes $K$, our analysis yields much tighter robust generalization guarantees for MPGNNs, thereby guiding their designs to enhance adversarial robustness.

Subgraph detection seeks to identify whether and where instances of query patterns occur within a larger graph. This problem is fundamental across scientific domains and is closely related to subgraph isomorphism, which is NP-complete, limiting combinatorial approaches to small patterns or moderately sized graphs. We introduce GraphDETR, a deep learning framework that formulates subgraph detection as a set prediction problem, analogous to DETR in object detection. GraphDETR encodes the target graph with a graph neural network, and employs a fixed set of learnable query vectors, decoded via a transformer decoder, to predict all pattern occurrences jointly in a single forward pass. This is enabled by training the model end-to-end with bipartite matching. Unlike traditional combinatorial methods that only solve exact structural matching, GraphDETR naturally extends to approximate matching, enabling detection beyond exact pattern correspondence. Empirically, we show that GraphDETR can detect diverse patterns, such as molecular structures, cycles, cliques, and fuzzy patterns of up to 50 nodes, in target graphs with up to 1000 nodes. We further evaluate on molecular functional group detection over the ChEMBL dataset, where GraphDETR predicts the complete set of functional groups per molecule, achieving a strong performance of $\text{AP}_{100} = 91.2$.

Autonomous spacecraft require rapid, lightweight, and reliable onboard detection of cyber-RF threats. Using the SPARTA attack model, we analyze the latency-accuracy trade-offs of TinyML-compatible classical models -- Random Forest, Logistic Regression, SVM, and MLP -- for detecting uplink jamming, Fake-NR spoofing, payload manipulation, ground-segment compromise, and unauthorized command injection. We present a physics-informed theoretical analysis of each model's computational complexity, VC dimension, Lipschitz continuity, and latency scaling, supported by empirical measurements on adversarial RF spectrograms generated via BandErasure, FakeNR, and NoiseBurst corruption modes. Results show that Logistic Regression achieves microsecond-level inference with only a 1\% accuracy drop relative to Random Forest, making it an effective TinyML baseline for onboard autonomy. The study also identifies opportunities for advancing spacecraft cybersecurity through richer feature encoders and multi-timescale learning architectures, building on recent progress in edge intelligence and trustworthy AI.

Identifying subtypes of complex conditions, such as Inflammatory Bowel Disease (IBD), often requires capturing latent patterns in longitudinal omics data. However, these data are typically high-dimensional, sparsely sampled, and irregularly observed over time, posing substantial challenges for conventional (bi)clustering and functional data analysis methods. We propose Tri-SfSVD, a unified sparse functional Singular Value Decomposition framework for discovering biclusters and triclusters in longitudinal data. Unlike existing functional biclustering methods that rely on ad hoc imputation or enforce restrictive shape-homogeneity assumptions, Tri-SfSVD integrates continuous trajectory estimation with simultaneous subject, feature, and temporal selection within a single optimization framework. By imposing sparse penalties across subjects, variables, and temporal subregions, the proposed method works directly on observed data to uncover localized structures at the subject, subject-feature, and subject-feature-time levels. Extensive simulations demonstrate that Tri-SfSVD outperforms existing approaches in high-dimensional settings. Applied to IBD multi-omics data, the method identified three biclusters linking sample clusters with distinct IBD-related clinical characteristics to microbial pathway groups associated with specific bacterial taxa, providing interpretable subject-pathway associations for characterizing disease heterogeneity. Applied to multi-channel EEG data, the method identified three triclusters linking sample clusters with distinct alcohol-related phenotypes to localized brain activity patterns, including subgroup differences separated by temporal subregions within the same spatial region.

Per-ticker forecasting models dominate financial time-series work yet remain blind to cross-company propagation: a foundry disruption in Taiwan does not register in a single-asset model until Apple's own price has already moved. To address this limitation, we introduce a heterogeneous Rust-Python streaming architecture that maps cross-company attention as a continuous-time graph driven directly from text. We show that on the ingestion side, a zero-copy Rust edge parses news records in $\sim$100 ns and scans the target equity universe in $\sim$1.2 $μ$s. On the inference end, a multivariate Neural Hawkes Process featuring per-node continuous-time LSTM states and a bilinear latent projection propagates directed excitation, while an adaptive pruning rule bounds the computational cost of dynamic neighborhood updates. Combining these stages, we demonstrate an end-to-end processing latency of $\sim$13 ms per incoming news record on a single commodity CPU. Evaluated on a one-month temporal holdout of the FNSPID corpus (638 articles across 47 tickers), the system delivers a $1.70\times$ precision lift over random at the 90th-percentile next-day return threshold, and $3.36\times$ over a same-sector baseline. Crucially, removing the graph topology collapses precision to zero, confirming that the dynamic attention network is the sole driver of cross-company signal in this architecture.