Qiwei Yuan

Keyan Chen, Qiwei Yuan, Zhitong Xu et al.

Events in spatiotemporal systems are ubiquitous, yet modeling their complex distributions remains challenging. Existing point process models often rely on strong structural assumptions and are typically limited to autoregressive, event-by-event prediction. As a result, they struggle to support broader inference tasks such as inverse inference, trajectory reconstruction, and recovery of missing event locations. We introduce Arbitrarily Conditioned Hierarchical Flows (ARCH), a hierarchical flow matching framework for spatiotemporal event modeling. ARCH is expressive enough to capture complex event distributions while enabling tractable and accurate computation of conditional intensities, which quantify instantaneous event risk. Built on a history-encoder-generative-decoder architecture, ARCH introduces a hybrid masking strategy for flexible conditioning on arbitrary observed events. This enables a unified treatment of forecasting, inverse inference, and partial trajectory recovery within a single framework. Experiments on synthetic and real-world datasets show that ARCH consistently outperforms existing baselines across both prediction and conditional inference tasks.

Zhitong Xu, Qiwei Yuan, Yinghao Chen et al.

Events in spatiotemporal domains arise in numerous real-world applications, where uncovering event relationships and enabling accurate prediction are central challenges. Classical Poisson and Hawkes processes rely on restrictive parametric assumptions that limit their ability to capture complex interaction patterns, while recent neural point process models increase representational capacity but integrate event information in a black-box manner, hindering interpretable relationship discovery. To address these limitations, we propose a Kronecker-Structured Nonparametric Spatiotemporal Point Process (KSTPP) that enables transparent event-wise relationship discovery while retaining high modeling flexibility. We model the background intensity with a spatial Gaussian process (GP) and the influence kernel as a spatiotemporal GP, allowing rich interaction patterns including excitation, inhibition, neutrality, and time-varying effects. To enable scalable training and prediction, we adopt separable product kernels and represent the GPs on structured grids, inducing Kronecker-structured covariance matrices. Exploiting Kronecker algebra substantially reduces computational cost and allows the model to scale to large event collections. In addition, we develop a tensor-product Gauss-Legendre quadrature scheme to efficiently evaluate intractable likelihood integrals. Extensive experiments demonstrate the effectiveness of our framework.

Zhitong Xu, Qiwei Yuan, Yinghao Chen et al.

Multi-class event streams arise in numerous real-world applications, where uncovering structured, interpretable inter-event relationships, together with accurate prediction, remains a central challenge. Existing neural point process models are highly expressive but encode event interactions in a black-box manner, preventing explicit discovery of structured dependencies. In this paper, we propose a structured neural marked point process (SNMPP) that achieves high modeling flexibility while enabling explicit event-wise and class-wise relationship discovery from data. Our model constructs a product-form neural influence kernel composed of a signed interaction network over event types and a delay-aware monotonic temporal network. This design enables explicit characterization of inter-class influence topology -- including excitation, inhibition, and neutrality -- while flexibly capturing diverse temporal decay patterns and potential influence delays. For efficient learning, we develop a stratified Monte Carlo estimator for stochastic training. Extensive experiments on synthetic and real-world benchmark datasets validate the ability of our approach to uncover structured relationships and deliver strong predictive performance.

Da Long, Zhitong Xu, Qiwei Yuan et al.

Fourier Neural Operator (FNO) is a powerful and popular operator learning method. However, FNO is mainly used in forward prediction, yet a great many applications rely on solving inverse problems. In this paper, we propose an invertible Fourier Neural Operator (iFNO) for jointly tackling the forward and inverse problems. We developed a series of invertible Fourier blocks in the latent channel space to share the model parameters, exchange the information, and mutually regularize the learning for the bi-directional tasks. We integrated a variational auto-encoder to capture the intrinsic structures within the input space and to enable posterior inference so as to mitigate challenges of illposedness, data shortage, noises that are common in inverse problems. We proposed a three-step process to combine the invertible blocks and the VAE component for effective training. The evaluations on seven benchmark forward and inverse tasks have demonstrated the advantages of our approach.

Qiwei Yuan, Zhitong Xu, Yinghao Chen et al.

Machine learning solvers for partial differential equations (PDEs) have attracted growing interest. However, most existing approaches, such as neural network solvers, rely on stochastic training, which is inefficient and typically requires a great many training epochs. Gaussian process (GP)/kernel-based solvers, while mathematical principled, suffer from scalability issues when handling large numbers of collocation points often needed for challenging or higher-dimensional PDEs. To overcome these limitations, we propose TGPS, a tensor-GP-based solver that models factor functions along each input dimension using one-dimensional GPs and combines them via tensor decomposition to approximate the full solution. This design reduces the task to learning a collection of one-dimensional GPs, substantially lowering computational complexity, and enabling scalability to massive collocation sets. For efficient nonlinear PDE solving, we use a partial freezing strategy and Newton's method to linerize the nonlinear terms. We then develop an alternating least squares (ALS) approach that admits closed-form updates, thereby substantially enhancing the training efficiency. We establish theoretical guarantees on the expressivity of our model, together with convergence proof and error analysis under standard regularity assumptions. Experiments on several benchmark PDEs demonstrate that our method achieves superior accuracy and efficiency compared to existing approaches.

Qiwei Yuan, Weizhe Hua, Yi Zhou et al.

The minibatch stochastic gradient descent method (SGD) is widely applied in deep learning due to its efficiency and scalability that enable training deep networks with a large volume of data. Particularly in the distributed setting, SGD is usually applied with large batch size. However, as opposed to small-batch SGD, neural network models trained with large-batch SGD can hardly generalize well, i.e., the validation accuracy is low. In this work, we introduce a novel regularization technique, namely distinctive regularization (DReg), which replicates a certain layer of the deep network and encourages the parameters of both layers to be diverse. The DReg technique introduces very little computation overhead. Moreover, we empirically show that optimizing the neural network with DReg using large-batch SGD achieves a significant boost in the convergence and improved generalization performance. We also demonstrate that DReg can boost the convergence of large-batch SGD with momentum. We believe that DReg can be used as a simple regularization trick to accelerate large-batch training in deep learning.