S$^3$GNN: Efficient Global Mixing and Local Message Passing for Long-Range Graph Learning

Message-passing neural networks (MPNNs) often suffer from an information bottleneck when capturing long-range dependencies, leading to the oversquashing (OSQ) phenomenon. Alongside spatial connectivity enrichment (e.g., rewiring), recent studies have shown that spectral filtering can yield strong long-range learning outcomes, as spectral operators enable global information mixing that alleviates OSQ. These approaches achieve this either by stabilizing the Jacobian energies in deep propagation or by guaranteeing OSQ mitigation under strong theoretical assumptions. We revisit these conclusions and show that the associated Jacobian sensitivity lower bound is generally difficult to achieve in practice. We then propose S$^3$GNN, which mitigates OSQ without such restrictive assumptions by lightweightly reintroducing omitted components with substantially lower computational complexity, while standard stability constraints on feature transformations remain effective under our new dynamics. Extensive experiments across diverse domains (e.g., long-range benchmarks, KGQA, and mesh-based fluid dynamics) demonstrate that S$^3$GNN achieves up to an order-of-magnitude error reduction with up to 50\% fewer parameters. Our code can be found in https://github.com/EEthanShi/S3-GNN.git.

Wiener Chaos Expansion based Neural Operator for Singular Stochastic Partial Differential Equations

In this paper, we explore how our recently developed Wiener Chaos Expansion (WCE)-based neural operator (NO) can be applied to singular stochastic partial differential equations, e.g., the dynamic $\boldsymbolΦ^4_2$ model simulated in the recent works. Unlike the previous WCE-NO which solves SPDEs by simply inserting Wick-Hermite features into the backbone NO model, we leverage feature-wise linear modulation (FiLM) to appropriately capture the dependency between the solution of singular SPDE and its smooth remainder. The resulting WCE-FiLM-NO shows excellent performance on $\boldsymbolΦ^4_2$, as measured by relative $L_2$ loss, out-of-distribution $L_2$ loss, and autocorrelation score; all without the help of renormalisation factor. In addition, we also show the potential of simulating $\boldsymbolΦ^4_3$ data, which is more aligned with real scientific practice in statistical quantum field theory. To the best of our knowledge, this is among the first works to develop an efficient data-driven surrogate for the dynamical $\boldsymbolΦ^4_3$ model.

Expanding the Chaos: Neural Operator for Stochastic (Partial) Differential Equations

Stochastic differential equations (SDEs) and stochastic partial differential equations (SPDEs) are fundamental tools for modeling stochastic dynamics across the natural sciences and modern machine learning. Developing deep learning models for approximating their solution operators promises not only fast, practical solvers, but may also inspire models that resolve classical learning tasks from a new perspective. In this work, we build on classical Wiener chaos expansions (WCE) to design neural operator (NO) architectures for SPDEs and SDEs: we project the driving noise paths onto orthonormal Wick Hermite features and parameterize the resulting deterministic chaos coefficients with neural operators, so that full solution trajectories can be reconstructed from noise in a single forward pass. On the theoretical side, we investigate the classical WCE results for the class of multi-dimensional SDEs and semilinear SPDEs considered here by explicitly writing down the associated coupled ODE/PDE systems for their chaos coefficients, which makes the separation between stochastic forcing and deterministic dynamics fully explicit and directly motivates our model designs. On the empirical side, we validate our models on a diverse suite of problems: classical SPDE benchmarks, diffusion one-step sampling on images, topological interpolation on graphs, financial extrapolation, parameter estimation, and manifold SDEs for flood prediction, demonstrating competitive accuracy and broad applicability. Overall, our results indicate that WCE-based neural operators provide a practical and scalable way to learn SDE/SPDE solution operators across diverse domains.