LGFeb 1, 2024
Preconditioning for Physics-Informed Neural NetworksSongming Liu, Chang Su, Jiachen Yao et al.
Physics-informed neural networks (PINNs) have shown promise in solving various partial differential equations (PDEs). However, training pathologies have negatively affected the convergence and prediction accuracy of PINNs, which further limits their practical applications. In this paper, we propose to use condition number as a metric to diagnose and mitigate the pathologies in PINNs. Inspired by classical numerical analysis, where the condition number measures sensitivity and stability, we highlight its pivotal role in the training dynamics of PINNs. We prove theorems to reveal how condition number is related to both the error control and convergence of PINNs. Subsequently, we present an algorithm that leverages preconditioning to improve the condition number. Evaluations of 18 PDE problems showcase the superior performance of our method. Significantly, in 7 of these problems, our method reduces errors by an order of magnitude. These empirical findings verify the critical role of the condition number in PINNs' training.
LGApr 1, 2025
Operator Learning with Domain Decomposition for Geometry Generalization in PDE SolvingJianing Huang, Kaixuan Zhang, Youjia Wu et al.
Neural operators have become increasingly popular in solving \textit{partial differential equations} (PDEs) due to their superior capability to capture intricate mappings between function spaces over complex domains. However, the data-hungry nature of operator learning inevitably poses a bottleneck for their widespread applications. At the core of the challenge lies the absence of transferability of neural operators to new geometries. To tackle this issue, we propose operator learning with domain decomposition, a local-to-global framework to solve PDEs on arbitrary geometries. Under this framework, we devise an iterative scheme \textit{Schwarz Neural Inference} (SNI). This scheme allows for partitioning of the problem domain into smaller subdomains, on which local problems can be solved with neural operators, and stitching local solutions to construct a global solution. Additionally, we provide a theoretical analysis of the convergence rate and error bound. We conduct extensive experiments on several representative PDEs with diverse boundary conditions and achieve remarkable geometry generalization compared to alternative methods. These analysis and experiments demonstrate the proposed framework's potential in addressing challenges related to geometry generalization and data efficiency.
LGMar 8
Helix: Evolutionary Reinforcement Learning for Open-Ended Scientific Problem SolvingChang Su, Zhongkai Hao, Zhizhou Zhang et al.
Large language models (LLMs) with reasoning abilities have demonstrated growing promise for tackling complex scientific problems. Yet such tasks are inherently domain-specific, unbounded and open-ended, demanding exploration across vast and flexible solution spaces. Existing approaches, whether purely learning-based or reliant on carefully designed workflows, often suffer from limited exploration efficiency and poor generalization. To overcome these challenges, we present HELIX -- a Hierarchical Evolutionary reinforcement Learning framework with In-context eXperiences. HELIX introduces two key novelties: (i) a diverse yet high-quality pool of candidate solutions that broadens exploration through in-context learning, and (ii) reinforcement learning for iterative policy refinement that progressively elevates solution quality. This synergy enables the discovery of more advanced solutions. On the circle packing task, HELIX achieves state-of-the-art result with a sum of radii of 2.63598308 using only a 14B model. Across standard machine learning benchmarks, HELIX further surpasses GPT-4o with a carefully engineered pipeline, delivering an average F1 improvement of 5.95 points on the Adult and Bank Marketing datasets.
LGSep 30, 2025
From Cheap Geometry to Expensive Physics: Elevating Neural Operators via Latent Shape PretrainingZhizhou Zhang, Youjia Wu, Kaixuan Zhang et al.
Industrial design evaluation often relies on high-fidelity simulations of governing partial differential equations (PDEs). While accurate, these simulations are computationally expensive, making dense exploration of design spaces impractical. Operator learning has emerged as a promising approach to accelerate PDE solution prediction; however, its effectiveness is often limited by the scarcity of labeled physics-based data. At the same time, large numbers of geometry-only candidate designs are readily available but remain largely untapped. We propose a two-stage framework to better exploit this abundant, physics-agnostic resource and improve supervised operator learning under limited labeled data. In Stage 1, we pretrain an autoencoder on a geometry reconstruction task to learn an expressive latent representation without PDE labels. In Stage 2, the neural operator is trained in a standard supervised manner to predict PDE solutions, using the pretrained latent embeddings as inputs instead of raw point clouds. Transformer-based architectures are adopted for both the autoencoder and the neural operator to handle point cloud data and integrate both stages seamlessly. Across four PDE datasets and three state-of-the-art transformer-based neural operators, our approach consistently improves prediction accuracy compared to models trained directly on raw point cloud inputs. These results demonstrate that representations from physics-agnostic pretraining provide a powerful foundation for data-efficient operator learning.