Xi Zhang

Lazar Atanackovic, Xi Zhang, Brandon Amos et al.

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depend on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrate along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions, unlike previously proposed methods. We demonstrate the ability of MFM to improve the prediction of individual treatment responses on a large-scale multi-patient single-cell drug screen dataset.

Xi Zhang, Yuan Pu, Yuki Kawamura et al.

Modeling stochastic and irregularly sampled time series is a challenging problem found in a wide range of applications, especially in medicine. Neural stochastic differential equations (Neural SDEs) are an attractive modeling technique for this problem, which parameterize the drift and diffusion terms of an SDE with neural networks. However, current algorithms for training Neural SDEs require backpropagation through the SDE dynamics, greatly limiting their scalability and stability. To address this, we propose Trajectory Flow Matching (TFM), which trains a Neural SDE in a simulation-free manner, bypassing backpropagation through the dynamics. TFM leverages the flow matching technique from generative modeling to model time series. In this work we first establish necessary conditions for TFM to learn time series data. Next, we present a reparameterization trick which improves training stability. Finally, we adapt TFM to the clinical time series setting, demonstrating improved performance on three clinical time series datasets both in terms of absolute performance and uncertainty prediction.

Zhicheng Lin, Xiaolin Wu, Xi Zhang

Deep models often suffer significant performance degradation under distribution shifts. Domain generalization (DG) seeks to mitigate this challenge by enabling models to generalize to unseen domains. Most prior approaches rely on multi-domain training or computationally intensive test-time adaptation. In contrast, we propose a complementary strategy: lightweight test-time augmentation. Specifically, we develop a novel Class-Invariant Test-Time Augmentation (CI-TTA) technique. The idea is to generate multiple variants of each input image through elastic and grid deformations that nevertheless belong to the same class as the original input. Their predictions are aggregated through a confidence-guided filtering scheme that remove unreliable outputs, ensuring the final decision relies on consistent and trustworthy cues. Extensive Experiments on PACS and Office-Home datasets demonstrate consistent gains across different DG algorithms and backbones, highlighting the effectiveness and generality of our approach.

Ruichu Cai, Siyu Wu, Jie Qiao et al.

Learning causal structure among event types on multi-type event sequences is an important but challenging task. Existing methods, such as the Multivariate Hawkes processes, mostly assumed that each sequence is independent and identically distributed. However, in many real-world applications, it is commonplace to encounter a topological network behind the event sequences such that an event is excited or inhibited not only by its history but also by its topological neighbors. Consequently, the failure in describing the topological dependency among the event sequences leads to the error detection of the causal structure. By considering the Hawkes processes from the view of temporal convolution, we propose a Topological Hawkes process (THP) to draw a connection between the graph convolution in the topology domain and the temporal convolution in time domains. We further propose a causal structure learning method on THP in a likelihood framework. The proposed method is featured with the graph convolution-based likelihood function of THP and a sparse optimization scheme with an Expectation-Maximization of the likelihood function. Theoretical analysis and experiments on both synthetic and real-world data demonstrate the effectiveness of the proposed method