5 papers
Artificial Intelligence-Enabled Holistic Design of Catalysts Tailored for Semiconducting Carbon Nanotube Growth
Liu Qian, Yue Li, Ying Xie +6
Catalyst design is crucial for materials synthesis, especially for complex reaction networks. Strategies like collaborative catalytic systems and multifunctional catalysts are effe…
ReBaNO: Reduced Basis Neural Operator Mitigating Generalization Gaps and Achieving Discretization Invariance
Haolan Zheng, Yanlai Chen, Jiequn Han +1
We propose a novel data-lean operator learning algorithm, the Reduced Basis Neural Operator (ReBaNO), to solve a group of PDEs with multiple distinct inputs. Inspired by the Reduce…
An Attention-based Spatio-Temporal Neural Operator for Evolving Physics
Vispi Karkaria, Doksoo Lee, Yi-Ping Chen +2
In scientific machine learning (SciML), a key challenge is learning unknown, evolving physical processes and making predictions across spatio-temporal scales. For example, in real-…
Neural Interpretable PDEs: Harmonizing Fourier Insights with Attention for Scalable and Interpretable Physics Discovery
Ning Liu, Yue Yu
Attention mechanisms have emerged as transformative tools in core AI domains such as natural language processing and computer vision. Yet, their largely untapped potential for mode…
An optimal Petrov-Galerkin framework for operator networks
Philip Charles, Deep Ray, Yue Yu +7
The optimal Petrov-Galerkin formulation to solve partial differential equations (PDEs) recovers the best approximation in a specified finite-dimensional (trial) space with respect…