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Xiaoyuan Cheng

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4 papers

2 author rows

ICML Conference 2025 Conference Paper

Chaos Meets Attention: Transformers for Large-Scale Dynamical Prediction

Yi He
Yiming Yang
Xiaoyuan Cheng
Hai Wang
Xiao Xue
Boli Chen
Yukun Hu

Generating long-term trajectories of dissipative chaotic systems autoregressively is a highly challenging task. The inherent positive Lyapunov exponents amplify prediction errors over time. Many chaotic systems possess a crucial property — ergodicity on their attractors, which makes long-term prediction possible. State-of-the-art methods address ergodicity by preserving statistical properties using optimal transport techniques. However, these methods face scalability challenges due to the curse of dimensionality when matching distributions. To overcome this bottleneck, we propose a scalable transformer-based framework capable of stably generating long-term high-dimensional and high-resolution chaotic dynamics while preserving ergodicity. Our method is grounded in a physical perspective, revisiting the Von Neumann mean ergodic theorem to ensure the preservation of long-term statistics in the $\mathcal{L}^2$ space. We introduce novel modifications to the attention mechanism, making the transformer architecture well-suited for learning large-scale chaotic systems. Compared to operator-based and transformer-based methods, our model achieves better performances across five metrics, from short-term prediction accuracy to long-term statistics. In addition to our methodological contributions, we introduce new chaotic system benchmarks: a machine learning dataset of 140$k$ snapshots of turbulent channel flow and a processed high-dimensional Kolmogorov Flow dataset, along with various evaluation metrics for both short- and long-term performances. Both are well-suited for machine learning research on chaotic systems.

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ICLR Conference 2025 Conference Paper

Learning Chaos In A Linear Way

Xiaoyuan Cheng
Yi He
Yiming Yang
Xiao Xue
Sibo Cheng
Daniel Giles
Xiaohang Tang
Yukun Hu

Learning long-term behaviors in chaotic dynamical systems, such as turbulent flows and climate modelling, is challenging due to their inherent instability and unpredictability. These systems exhibit positive Lyapunov exponents, which significantly hinder accurate long-term forecasting. As a result, understanding long-term statistical behavior is far more valuable than focusing on short-term accuracy. While autoregressive deep sequence models have been applied to capture long-term behavior, they often lead to exponentially increasing errors in learned dynamics. To address this, we shift the focus from simple prediction errors to preserving an invariant measure in dissipative chaotic systems. These systems have attractors, where trajectories settle, and the invariant measure is the probability distribution on attractors that remains unchanged under dynamics. Existing methods generate long trajectories of dissipative chaotic systems by aligning invariant measures, but it is not always possible to obtain invariant measures for arbitrary datasets. We propose the Poincaré Flow Neural Network (PFNN), a novel operator learning framework designed to capture behaviors of chaotic systems without any explicit knowledge of the invariant measure. PFNN employs an auto-encoder to map the chaotic system to a finite-dimensional feature space, effectively linearizing the chaotic evolution. It then learns the linear evolution operators to match the physical dynamics by addressing two critical properties in dissipative chaotic systems: (1) contraction, the system’s convergence toward its attractors, and (2) measure invariance, trajectories on the attractors following a probability distribution invariant to the dynamics. Our experiments on a variety of chaotic systems, including Lorenz systems, Kuramoto-Sivashinsky equation and Navier–Stokes equation, demonstrate that PFNN has more accurate predictions and physical statistics compared to competitive baselines including the Fourier Neural Operator and the Markov Neural Operator.

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NeurIPS Conference 2025 Conference Paper

Safe and Stable Control via Lyapunov-Guided Diffusion Models

Xiaoyuan Cheng
Xiaohang Tang
Yiming Yang

Diffusion models have made significant strides in recent years, exhibiting strong generalization capabilities in planning and control tasks. However, most diffusion-based policies remain focused on reward maximization or cost minimization, often overlooking critical aspects of safety and stability. In this work, we propose Safe and Stable Diffusion ($S^2$Diff), a model-based framework that explores how diffusion models can ensure safety and stability from a Lyapunov perspective. We demonstrate that $S^2$Diff eliminates the reliance on both complex gradient-based solvers (e. g. , quadratic programming, non-convex solvers) and control-affine structures, leading to globally valid control policies driven by the learned certificate functions. Additionally, we uncover intrinsic connections between diffusion sampling and almost Lyapunov theory, enabling the use of trajectory-level control policies to learn better certificate functions for safety and stability guarantees. To validate our approach, we conduct experiments on a wide variety of dynamical control systems, where $S^2$Diff consistently outperforms both certificate-based controllers and model-based diffusion baselines in terms of safety, stability, and overall control performance.

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ICML Conference 2025 Conference Paper

Tensor-Var: Efficient Four-Dimensional Variational Data Assimilation

Yiming Yang
Xiaoyuan Cheng
Daniel Giles
Sibo Cheng
Yi He
Xiao Xue
Boli Chen
Yukun Hu

Variational data assimilation estimates the dynamical system states by minimizing a cost function that fits the numerical models with the observational data. Although four-dimensional variational assimilation (4D-Var) is widely used, it faces high computational costs in complex nonlinear systems and depends on imperfect state-observation mappings. Deep learning (DL) offers more expressive approximators, while integrating DL models into 4D-Var is challenging due to their nonlinearities and lack of theoretical guarantees in assimilation results. In this paper, we propose Tensor-Var, a novel framework that integrates kernel conditional mean embedding (CME) with 4D-Var to linearize nonlinear dynamics, achieving convex optimization in a learned feature space. Moreover, our method provides a new perspective for solving 4D-Var in a linear way, offering theoretical guarantees of consistent assimilation results between the original and feature spaces. To handle large-scale problems, we propose a method to learn deep features (DFs) using neural networks within the Tensor-Var framework. Experiments on chaotic systems and global weather prediction with real-time observations show that Tensor-Var outperforms conventional and DL hybrid 4D-Var baselines in accuracy while achieving a 10- to 20-fold speed improvement.

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