arXiv subjects

Fred Xu

Publications and source records attributed to Fred Xu.

7 recordsLinked to original sources

arXiv2026

Improving Function Space Flow Matching with Kernel Optimal Transport

Generative models for function-valued data, such as time series and solutions of partial differential equations, must learn distributions over infinite-dimensional spaces. Functional Flow Matching (FFM) extends Flow Matching to this setting, learning a velocity field whose flow transports a Gaussian prior to the data distribution, but it inherits the independent endpoint pairing of standard Flow Matching: in each batch, prior and data samples are matched arbitrarily, so the conditional bridge must traverse both the shared global structure of the dataset and instance-specific residuals. In function space this is harder to fix than in finite dimensions, since optimal transport (OT) on function spaces is delicate to formulate and a flat Euclidean surrogate ignores the geometry that distinguishes function-valued data. We propose kernel Functional Flow Matching (kFFM), which replaces the independent pairing by entropic OT under a kernel-induced cost, the coupling underlying the Hilbert Sinkhorn Divergence (HSD), leaving the FFM neural-operator architecture unchanged. We prove that the kernel cost and the HSD objective are uniformly bounded and well-posed on Banach ambient spaces, derive an error decomposition against quadratic-cost OT on compact metric spaces that isolates an irreducible kernel-cost mismatch term, and prove a discretization-invariance bound whose rate is governed by Sobolev regularity. Empirically, kFFM improves distributional matching over FFM, diffusion, adversarial, and finite-dimensional OT baselines on time-series and PDE benchmarks, with significant paired-seed gains over FFM and improvements that persist under non-kernel and physics-based diagnostics, including a turbulent Navier-Stokes benchmark. Bounded kernel costs already outperform raw $L^2$ Sinkhorn, and function-space-aware kernels (signature, Sobolev RBF) give further gains on rough or path-valued data.

cs.LG↗

arXiv2026

Graph Anomaly Detection as Finite-Horizon Control: Training-Free Scoring via Empirical Bayes

Node-level graph anomaly detection (GAD) identifies nodes whose attributes and interactions deviate from dominant graph regularities. Existing GAD models encode normality and anomaly scoring indirectly through architectures, message passing, reconstruction or contrastive objectives, and tuned score families. This entangles graph trust (how strongly graph structure should define normality), graph-spectral weighting, and anomaly-score choice, yielding scores that are costly, opaque, and unstable across graph regimes. We propose EB-GAD (Empirical-Bayes GAD), a training-free framework that models normality as graph-aware generalized Ornstein-Uhlenbeck (GOU) relaxation toward a graph-filtered template. Empirical Bayes fits the graph precision from the residual-field likelihood; the GOU then turns scoring into a closed-form finite-horizon control energy, the minimum effort to steer a feature-neutral node to its observed endpoint along graph-spectral relaxation. Sweeping relaxation horizon and endpoint tolerance yields a bank of scores that share one fitted prior: equilibrium Mahalanobis scoring is one limit, while finite-horizon control-energy and scale-normalized ratio scores reveal anomalies that static equilibrium scoring can mask. A label-free selector chooses the score family from feature homophily, edge density, and feature dimension, then ranks candidates by fitted-null deviation and rank stability. On 11 benchmarks and without labels at any step, EB-GAD has the best or tied-best AUROC on 9: the four financial fraud networks (up to 3.7M nodes), the YelpChi and Amazon review graphs, Weibo, Reddit and Facebook, with margins of up to 21.7 points. It is second on BlogCatalog and ACM.

cs.LG↗

arXiv2026

A Unified Uncertainty Representation for Graph Neural Networks via Doubly-Spectral Stochastic Expansion

Reliable deployment of graph neural networks requires calibration, out-of-distribution (OOD) detection, and robustness to distribution shift, yet existing methods address these needs with separate models and objectives. We model uncertain node embeddings as random graph signals: graph Fourier filters capture structural variation, and a scalar orthogonal-polynomial chaos coordinate captures latent stochastic variation. The resulting doubly-spectral stochastic (DSS) expansion supplies task-matched readouts from one representation: the mean coefficient encodes class evidence for the energy-based OOD score, the higher-order coefficients encode structured logit variation, and quadrature averaging over the chaos coordinate defines the single predictive distribution used for prediction and calibration. A capacity theorem shows that, under a full-rank feature assumption, a restricted subfamily matches the chaos coefficients of any Gaussian-latent random graph signal, with exponentially decaying truncation error under a growth condition; the task-level claims are established empirically. DSS-GNN has two deployment modes: standalone, or as a residual branch beside a deterministic encoder (DSS-Hybrid). Standalone DSS-GNN achieves the lowest Brier score among the compared uncertainty-aware baselines on all 14 node classification benchmarks without post-hoc correction; DSS-Hybrid achieves the best AUROC on most node-OOD settings, competitive cross-graph OOD detection, and the strongest shifted accuracy on all 7 GOOD concept-shift benchmarks under standard empirical risk minimization (ERM). Cross-evaluating both modes on all three tasks shows that each remains effective on the other's tasks, with documented exceptions, and yields explicit deployment guidance.

cs.LG↗

arXiv2026

FD-Bench: A Modular and Fair Benchmark for Data-driven Fluid Simulation

Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://github.com/WillDreamer/FD-Bench.

physics.flu-dyn↗

arXiv2025

Lightweight Classifier for Detecting Intracranial Hemorrhage in Ultrasound Data

Intracranial hemorrhage (ICH) secondary to Traumatic Brain Injury (TBI) represents a critical diagnostic challenge, with approximately 64,000 TBI-related deaths annually in the United States. Current diagnostic modalities including Computed Tomography (CT) and Magnetic Resonance Imaging (MRI) have significant limitations: high cost, limited availability, and infrastructure dependence, particularly in resource-constrained environments. This study investigates machine learning approaches for automated ICH detection using Ultrasound Tissue Pulsatility Imaging (TPI), a portable technique measuring tissue displacement from hemodynamic forces during cardiac cycles. We analyze ultrasound TPI signals comprising 30 temporal frames per cardiac cycle with recording angle information, collected from TBI patients with CT-confirmed ground truth labels. Our preprocessing pipeline employs z-score normalization and Principal Component Analysis (PCA) for dimensionality reduction, retaining components explaining 95% of cumulative variance. We systematically evaluate multiple classification algorithms spanning probabilistic, kernel-based, neural network, and ensemble learning approaches across three feature representations: original 31-dimensional space, reduced subset, and PCA-transformed space. Results demonstrate that PCA transformation substantially improves classifier performance, with ensemble methods achieving 98.0% accuracy and F1-score of 0.890, effectively balancing precision and recall despite class imbalance. These findings establish the feasibility of machine learning-based ICH detection in TBI patients using portable ultrasound devices, with applications in emergency medicine, rural healthcare, and military settings where traditional imaging is unavailable.

eess.IV↗

arXiv2025

Uncertainty Estimation on Graphs with Structure Informed Stochastic Partial Differential Equations

Graph Neural Networks have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult, especially under distributional shifts. Unlike traditional uncertainty estimation, graph-based uncertainty must account for randomness arising from both the graph's structure and its label distribution, which adds complexity. In this paper, making an analogy between the evolution of a stochastic partial differential equation (SPDE) driven by Matern Gaussian Process and message passing using GNN layers, we present a principled way to design a novel message passing scheme that incorporates spatial-temporal noises motivated by the Gaussian Process approach to SPDE. Our method simultaneously captures uncertainty across space and time and allows explicit control over the covariance kernel smoothness, thereby enhancing uncertainty estimates on graphs with both low and high label informativeness. Our extensive experiments on Out-of-Distribution (OOD) detection on graph datasets with varying label informativeness demonstrate the soundness and superiority of our model to existing approaches.

cs.LG↗

arXiv2025

FUSE: Measure-Theoretic Compact Fuzzy Set Representation for Taxonomy Expansion

Taxonomy Expansion, which models complex concepts and their relations, can be formulated as a set representation learning task. The generalization of set, fuzzy set, incorporates uncertainty and measures the information within a semantic concept, making it suitable for concept modeling. Existing works usually model sets as vectors or geometric objects such as boxes, which are not closed under set operations. In this work, we propose a sound and efficient formulation of set representation learning based on its volume approximation as a fuzzy set. The resulting embedding framework, Fuzzy Set Embedding (FUSE), satisfies all set operations and compactly approximates the underlying fuzzy set, hence preserving information while being efficient to learn, relying on minimum neural architecture. We empirically demonstrate the power of FUSE on the task of taxonomy expansion, where FUSE achieves remarkable improvements up to 23% compared with existing baselines. Our work marks the first attempt to understand and efficiently compute the embeddings of fuzzy sets.

cs.LG↗