TANTE: Time-Adaptive Operator Learning via Neural Taylor Expansion

TL;DR

TANTE employs neural Taylor expansion for time-adaptive operator learning, reducing error by 60-80% and speeding inference by 30-40%.

cs.LG 🔴 Advanced 2025-02-13 47 views
Zhikai Wu Sifan Wang Shiyang Zhang Sizhuang He Min Zhu Anran Jiao Lu Lu David van Dijk
scientific machine learning operator learning PDEs adaptive step neural Taylor expansion

Key Findings

Methodology

• 输入:多帧空间数据与时间信息,经卷积编码成空间特征。• 编码器:提取空间特征,调制时间信息。• Transformer处理器:沿时间、空间维度堆叠多层Transformer,学习高阶导数和收敛半径。• 解码器:MLP和TransCNN预测各阶导数,估算收敛区间。• 预测:在收敛区间内,将导数级数相加,得到连续时间预测。• 超出区间:采用自回归,利用已预测状态递推。• 损失:MSE结合收敛半径正则化,确保模型稳定。

AI Executive Summary

Partial differential equations (PDEs) underpin many physical phenomena, but traditional numerical solvers face computational bottlenecks, especially in high-dimensional, multi-scale systems. Recent advances in operator learning—such as DeepONet and Fourier Neural Operator—have shown promise by leveraging neural networks to approximate solution operators directly from data. These methods, however, typically rely on fixed temporal discretization, which limits their ability to adapt to the uneven temporal complexity inherent in real-world systems. During rapid changes, fixed steps lead to error accumulation and inefficiency, while during slow evolution, they waste computational resources.

To address these challenges, this paper introduces TANTE (Time-Adaptive Transformer with Neural Taylor Expansion), a novel framework that enables continuous-time prediction with dynamically adjustable step sizes. The core idea is to use neural networks to learn high-order temporal derivatives and the local radius of convergence, allowing the model to perform a Taylor expansion at each step. This approach provides a flexible, data-driven mechanism to adapt the prediction interval based on the local behavior of the solution, reducing cumulative errors and improving efficiency.

TANTE's architecture comprises three main components: a spatiotemporal encoder, which extracts features from input data and modulates them with temporal information; a Transformer processor, which estimates derivatives along different axes; and a decoder, which predicts derivatives and estimates the convergence radius. The model then sums the Taylor series within the estimated interval for continuous-time forecasts. When predictions extend beyond this interval, the model switches to autoregressive mode, incorporating previous predictions.

Extensive experiments across four challenging PDE benchmarks—Rayleigh-Bénard convection, active matter, viscoelastic fluids, and turbulent radiative layers—demonstrate TANTE's superior performance. The results show a 60-80% reduction in prediction error and a 30-40% speed-up in inference compared to fixed-step baselines. The model also exhibits robust stability and adaptability, effectively handling uneven temporal dynamics. These advances open new possibilities for efficient, accurate modeling of complex physical systems, with potential impacts spanning weather prediction, fluid mechanics, materials science, and beyond. Despite its strengths, challenges remain in handling noisy data, extreme nonlinearities, and high-dimensional problems, guiding future research directions toward further robustness and scalability.

Deep Dive

Plain Language Accessible to non-experts

想象你在厨房做菜,火候和时间都要掌握得恰到好处。传统的方法像用定时器,设好时间后就一锅端,不够灵活。而TANTE像个聪明的厨师,能根据菜的状态实时调整火候和时间,确保每一步都刚刚好。它通过学习菜的变化规律,能在不同阶段灵活调节烹饪时间,既快又准。这样,无论菜快熟还是慢炖,它都能自动调节,避免过熟或未熟,节省时间又保证质量。它用一种叫神经泰勒展开的数学技巧,把未来的变化拆解成很多小部分,然后逐个预测,组合起来得到整体的结果。就像你不用一刀切,而是根据实际情况灵活调整,做出更美味的菜肴。

ELI14 Explained like you're 14

想象你在学校的科学实验室里做实验,老师让你预测下一步的结果。以前你只能按照固定的步骤走,不能根据实验的变化灵活调整。现在,TANTE就像一个聪明的助手,它能观察到实验中的微妙变化,然后自己学习这些变化的规律,提前告诉你下一步可能会发生什么。它不仅能预测,还能根据情况调整自己的预测速度和细节,就像你在游戏中根据敌人的动作调整策略一样。这意味着你可以用它做更复杂、更真实的模拟,不仅快,还更准。它用一种叫神经泰勒展开的数学技巧,把未来的变化拆解成很多小部分,然后逐个预测,组合起来得到整体的结果。这样,你就可以在不同的时间点都知道未来会发生什么,而不用每次都重新开始。它就像一个超级聪明的预言家,能帮你更好地理解和预测复杂的自然现象。

Abstract

Operator learning for time-dependent partial differential equations (PDEs) has seen rapid progress in recent years, enabling efficient approximation of complex spatiotemporal dynamics. However, most existing methods rely on fixed time step sizes during rollout, which limits their ability to adapt to varying temporal complexity and often leads to error accumulation. Here, we propose the Time-Adaptive Transformer with Neural Taylor Expansion (TANTE), a novel operator-learning framework that produces continuous-time predictions with adaptive step sizes. TANTE predicts future states by performing a Taylor expansion at the current state, where neural networks learn both the higher-order temporal derivatives and the local radius of convergence. This allows the model to dynamically adjust its rollout based on the local behavior of the solution, thereby reducing cumulative error and improving computational efficiency. We demonstrate the effectiveness of TANTE across a wide range of PDE benchmarks, achieving superior accuracy and adaptability compared to fixed-step baselines, delivering accuracy gains of 60-80 % and speed-ups of 30-40 % at inference time. The code is publicly available at https://github.com/zwu88/TANTE for transparency and reproducibility.

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