从不规则采样观测预测物理系统长期预测需要稳定、计算高效且无固定时间步假设的模型。本文提出连续时间Koopman自编码器,其潜在动态满足dz/dt = K_cont z,通过闭式推断实现任意时间 horizon τ 的单步预测。这将预测成本与预测长度解耦,并支持数据同化作为基于梯度的优化,其成本不依赖同化窗口。然而,将连续时间Koopman动力学扩展到高维混沌系统会导致潜在不稳定,包括谱崩溃和轨迹发散。相比之下,离散Koopman方法训练一个算子A,使得z_{t+Δt} = A z_t;恢复连续生成器理论上可通过矩阵对数实现,但需要未保证的条件,且近似误差随训练数据中施加的Δt增长。这些方法也要求固定、规则时间步。本文识别出一组经验有效的结构约束——rollout训练、前向-后向一致性、潜在正则化和物理条件化的LoRA——足以实现稳定长周期潜在动态。在具有挑战性的流体基准上,本文方法在长周期预测中优于强大的扩散和算子学习基线,同时实现了110倍的推理加速。
英文摘要:
Forward forecasting and data assimilation are the two important aspects in physical simulation: one propagates the state forward, the other recovers unknown states from sparse observations. Learned surrogates are normally built and benchmarked for forward forecasting, however, whether a surrogate could attain good performance in data assimilation tasks is valuable as well, as inverse problems are of paramount importance in the scientific domain. In this paper, we propose a continuous-time Koopman autoencoder whose latent dynamics obey $\frac{dz}{dt} = \mathbf{K}_{\mathrm{cont}} z$, yielding closed-form inference via $z(τ) = \exp(\mathbf{K}_{\mathrm{cont}} τ) z(0)$ at any horizon $τ$ in a single step. This decouples forecast cost from forecast length at inference time, showing long-term stability and high efficiency in forward simulation, and also supports data assimilation as gradient-based optimization with cost independent of the assimilation window. Experiments are performed on the Kuramoto--Sivashinsky equation and a transient flow, and we compare our method against a range of baselines on the forward problem, including diffusion models and operator-learning models, and obtain a 110x inference speedup over strong diffusion baselines. We further test these baselines on an initial-state inference data assimilation task, and find that a strong forecaster does not guarantee a strong assimilator, while the continuous-time Koopman autoencoder achieves both higher accuracy and efficiency than surrogates of comparable forward performance.
PhyDA: Physics-Guided Diffusion Models for Data Assimilation in Atmospheric Systems
Hong Kong University of Science and Technology (Guangzhou)(香港理工大学(广州));Hong Kong University of Science and Technology(香港理工大学);Shandong University(山东大学);University of Oxford(牛津大学)
Align-DA: Align Score-based Atmospheric Data Assimilation with Multiple Preferences
Fudan University(复旦大学);Shanghai Artificial Intelligence Laboratory(上海人工智能实验室);The Chinese University of Hong Kong(香港中文大学);Shanghai Jiaotong University(上海交通大学);Columbia University(哥伦比亚大学)
Latent assimilation with implicit neural representations for unknown dynamics
School of Mathematical Sciences, Peking University(北京大学数学科学学院);Beijing International Center for Mathematical Research, Peking University(北京国际数学研究中心);Center for Machine Learning Research, Peking University(北京大学机器学习研究中心);School of Mathematics and Statistics, Wuhan University(武汉大学数学与统计学院)
Deterministic training of generative autoencoders using invertible layers
OnePlanet Research Center(壹星球研究中心);imec-the Netherlands(荷兰微电子研究中心);Donders Institute for Brain, Cognition and Behaviour(唐德斯脑、认知与行为研究所);Radboud University(拉德堡德大学);UvA-Bosch Delta Lab(阿姆斯特丹大学-博世三角洲实验室)
Accurate and Efficient Hybrid-Ensemble Atmospheric Data Assimilation in Latent Space with Uncertainty Quantification
Department of Earth and Environmental Engineering, School of Engineering and Applied Sciences, Climate School, Columbia University(地球与环境工程系,工程与应用科学学院,气候学院,哥伦比亚大学);Learning the Earth with Artificial Intelligence and Physics (LEAP) Center, Columbia University(人工智能与物理学习地球中心,哥伦比亚大学);Shanghai Artificial Intelligence Laboratory, Shanghai, China(上海人工智能实验室,上海,中国);The Chinese University of Hong Kong, Hong Kong, China(香港中文大学,香港,中国);Department of Computer Science and Technology, Tsinghua University, Beijing, China(计算机科学与技术系,清华大学,北京,中国)
Simplifying Flow Matching Transformations with Low-Rank Mixture Models
Stanford Intelligent Systems Laboratory in the Department of Aeronautics and Astronautics at Stanford University(斯坦福大学航空航天系智能系统实验室);Industrial and Systems Engineering Department at King Fahd University of Petroleum and Minerals(科威特石油矿物大学工业与系统工程系)
An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
Singapore-MIT Alliance for Research and Technology(新加坡-麻省理工学院研究与技术联盟);National University of Singapore(新加坡国立大学);Korea Advanced Institute of Science and Technology(韩国科学技术院);Massachusetts Institute of Technology(麻省理工学院);Okinawa Institute of Science and Technology Graduate University(冲绳科学技术大学院大学);Agency for Science, Technology and Research(新加坡科技研究局);Nanyang Technological University(南洋理工大学);Shanghai University(上海大学);Microsoft AI for Good(微软人工智能公益计划);Toyota Research Institute(丰田研究院);Tsinghua University(清华大学)
Identification of Nonlinear Latent Hierarchical Models
Carnegie Mellon University(卡内基梅隆大学);University of California San Diego(加州大学圣迭戈分校);Beijing Technology and Business University(北京工商大学);Mohamed bin Zayed University of Artificial Intelligence(穆罕默德·本·扎耶德人工智能大学)
Latent Variable Modelling with Hyperbolic Normalizing Flows
McGill University(麦吉尔大学);Mila(米拉研究所);University of Toronto(多伦多大学);Vector Institute(向量研究所)
近似后验分布的选择在随机变分推理(SVI)中起着核心作用。一个有效的解决方案是使用归一化流\cut{defined on Euclidean spaces}来构造灵活的后验分布。然而,现有的规范化流的一个关键限制是,它们被限制在欧几里德空间,并且不适合对具有底层层次结构的数据进行建模。为了解决这个基本的限制,我们提出了规范化流的双曲空间的第一个扩展。我们首先提升规范化流双曲空间使用耦合变换定义的切丛,称为切线耦合($\mathcal{TC}$)。我们进一步介绍了包裹双曲面耦合($\mathcal{W}\mathbb{H}C$),一个完全可逆的和可学习的变换,明确利用双曲空间的几何结构,允许表达后验,同时是有效的采样。我们证明了我们的新的归一化流的双曲VAE和欧几里得归一化流的功效。我们的方法提高了密度估计的性能,以及表现出分层结构的真实世界图数据的重建。最后,我们表明,我们的方法可以用来权力的生成模型在分层数据使用双曲型潜变量。
Dimension-reduced KRnet maps for high-dimensional Bayesian inverse problems
ShanghaiTech University(上海科技大学);Changsha Institute for Computing and Digital Economy, Peking University(北京大学长沙计算与数字经济研究院);Louisiana State University(路易斯安那州立大学)
Hessian Rank Constraint for Learning Structure of Nonlinear Latent Variable Models
Mohamed bin Zayed University of Artificial Intelligence(穆罕默德·本·扎耶德人工智能大学);Carnegie Mellon University(卡内基梅隆大学);Guangdong University of Technology(广东工业大学);Beijing Technology and Business University(北京工商大学);University of Illinois Urbana–Champaign(伊利诺伊大学厄巴纳-香槟分校);Johns Hopkins University(约翰斯·霍普金斯大学)