Engineering Papers⌕ Search

DOE OSTI · 1903828

Learning emergent partial differential equations in a learned emergent space

Abstract

We propose an approach to learn effective evolution equations for large systems of interacting agents. This is demonstrated on two examples, a well-studied system of coupled normal form oscillators and a biologically motivated example of coupled Hodgkin-Huxley-like neurons. For such types of systems there is no obvious space coordinate in which to learn effective evolution laws in the form of partial differential equations. In our approach, we accomplish this by learning embedding coordinates from the time series data of the system using manifold learning as a first step. In these emergent coordinates, we then show how one can learn effective partial differential equations, using neural networks, that do not only reproduce the dynamics of the oscillator ensemble, but also capture the collective bifurcations when system parameters vary. The proposed approach thus integrates the automatic, data-driven extraction of emergent space coordinates parametrizing the agent dynamics, with machine-learning assisted identification of an emergent PDE description of the dynamics in this parametrization.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Kemeth, Felix P., Bertalan, Tom, Thiem, Thomas, Dietrich, Felix, Moon, Sung Joon, Laing, Carlo R., Kevrekidis, Ioannis G.. 2022-06-09. Learning emergent partial differential equations in a learned emergent space. https://doi.org/10.1038/s41467-022-30628-6

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related reports

TANTE: Time-adaptive operator learning via neural Taylor expansion

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. In this work, 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.

97 MATHEMATICS AND COMPUTING↗

Structured illumination for surface-resolved grazing-incidence X-ray scattering

Grazing-incidence (GI) scattering techniques are widely used to characterize thin films, offering high surface sensitivity and insight into morphology and structure. However, these approaches typically provide statistical averaged information due to elongated footprint or limited spatial resolution due to beam size. Here we introduce a method that combines structured illumination with GI X-ray scattering and leverages our computational imaging approach to resolve local structural details. We demonstrate that our method captures local features of an organic semiconductor thin film without the need for sample rotation as in tomography. The method expands GI techniques from statistical averaging to high-resolution imaging, thereby providing the capability for detailed analysis of local material properties, such as domain shape, orientation and polymorphism, which are critical for advancing material design towards more efficient and tailored materials.

97 MATHEMATICS AND COMPUTING↗