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Neural operators have emerged as a powerful tool for solving partial differential equations (PDEs) and other complex scientific computing tasks. However, the performance of single operator block is often limited, thus often requiring…

Numerical Analysis · Mathematics 2025-07-18 Yichen Wang , Wenlian Lu

Neural ordinary differential equations (NODEs) are geometric deep learning models based on dynamical systems and flows generated by vector fields on manifolds. Despite numerous successful applications, particularly within the flow matching…

Machine Learning · Computer Science 2026-02-18 Per Åhag , Alexander Friedrich , Fredrik Ohlsson , Viktor Vigren Näslund

We explore how neural differential equations (NDEs) may be trained on highly resolved fluid-dynamical models of unresolved scales providing an ideal framework for data-driven parameterizations in climate models. NDEs overcome some of the…

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either…

Machine Learning · Computer Science 2022-10-14 Yogesh Verma , Samuel Kaski , Markus Heinonen , Vikas Garg

Partial differential equation (PDE) models and their associated variational energy formulations are often rotationally invariant by design. This ensures that a rotation of the input results in a corresponding rotation of the output, which…

Machine Learning · Computer Science 2022-03-21 Tobias Alt , Karl Schrader , Joachim Weickert , Pascal Peter , Matthias Augustin

Neural Ordinary Differential Equations (NODEs), a framework of continuous-depth neural networks, have been widely applied, showing exceptional efficacy in coping with some representative datasets. Recently, an augmented framework has been…

Machine Learning · Computer Science 2021-02-23 Qunxi Zhu , Yao Guo , Wei Lin

The numerical simulation and optimization of technical systems described by partial differential equations is expensive, especially in multi-query scenarios in which the underlying equations have to be solved for different parameters. A…

Numerical Analysis · Mathematics 2025-04-09 Franziska Griese , Fabian Hoppe , Alexander Rüttgers , Philipp Knechtges

Flower pollination is an intriguing process in the natural world. Its evolutionary characteristics can be used to design new optimization algorithms. In this paper, we propose a new algorithm, namely, flower pollination algorithm, inspired…

Optimization and Control · Mathematics 2013-12-20 Xin-She Yang

We develop a novel data-driven framework as an alternative to dynamic flux balance analysis, bypassing the demand for deep domain knowledge and manual efforts to formulate the optimization problem. The proposed framework is end-to-end,…

Machine Learning · Computer Science 2024-10-21 Santanu Rathod , Pietro Lio , Xiao Zhang

We propose a novel framework, Continuous_Time Attention, which infuses partial differential equations (PDEs) into the Transformer's attention mechanism to address the challenges of extremely long input sequences. Instead of relying solely…

Machine Learning · Computer Science 2025-12-30 Yukun Zhang , Xueqing Zhou

The stability of optical vortex structures in turbulent environments is critical for their applications in optical communication, quantum information, and structured light technologies. Although topological invariants, such as crossings and…

Optics · Physics 2025-11-13 Dmitrii Tsvetkov , Danilo Gomes Pires , Natalia Litchinitser

For the application of MPC design in on-line regulation or tracking control problems, several studies have attempted to develop an accurate model, and realize adequate uncertainty description of linear or non-linear plants of the processes.…

Optimization and Control · Mathematics 2019-04-03 Yuanqiang Zhou , Dewei Li , Yugeng Xi , Zhongxue Gan

Spectral bias implies an imbalance in training dynamics, whereby high-frequency components may converge substantially more slowly than low-frequency ones. To alleviate this issue, we propose a cross-attention-based architecture that…

Numerical Analysis · Mathematics 2025-12-23 Xiaodong Feng , Tao Tang , Xiaoliang Wan , Tao Zhou

We introduce a novel Multimodal Neural Operator (MNO) architecture designed to learn solution operators for multi-parameter nonlinear boundary value problems (BVPs). Traditional neural operators primarily map either the PDE coefficients or…

Computational Engineering, Finance, and Science · Computer Science 2025-07-17 Vamshi C. Madala , Nithin Govindarajan , Shivkumar Chandrasekaran

The recent success of multiple neural architectures like CNNs, Transformers, and MLP-Mixers motivated us to look for similarities and differences between them. We found that these architectures can be interpreted through the lens of a…

Machine Learning · Computer Science 2024-10-11 Suman Sapkota , Binod Bhattarai

We propose SymPlex, a reinforcement learning framework for discovering analytical symbolic solutions to partial differential equations (PDEs) without access to ground-truth expressions. SymPlex formulates symbolic PDE solving as…

Machine Learning · Computer Science 2026-02-04 Yesom Park , Annie C. Lu , Shao-Ching Huang , Qiyang Hu , Y. Sungtaek Ju , Stanley Osher

Multi-head attention layers, as used in the Transformer neural sequence model, are a powerful alternative to RNNs for moving information across and between sequences. While training these layers is generally fast and simple, due to…

Neural and Evolutionary Computing · Computer Science 2019-11-07 Noam Shazeer

We present the derivation, implementation, and analysis of a multiresolution adaptive grid framework for numerical simulations on octree-based 3D block-structured collocated grids with distributed computational architectures. Our approach…

Numerical Analysis · Mathematics 2025-04-01 Thomas Gillis , Wim M. van Rees

Training large language models (LLMs) requires substantial compute and energy. At the same time, renewable energy sources regularly produce more electricity than the grid can absorb, leading to curtailment, the deliberate reduction of clean…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-27 Philipp Wiesner , Soeren Becker , Brett Cornick , Dominik Scheinert , Alexander Acker , Odej Kao

Learning PDE dynamics with neural solvers can significantly improve wall-clock efficiency and accuracy compared with classical numerical solvers. In recent years, foundation models for PDEs have largely adopted multi-scale windowed…

Machine Learning · Computer Science 2026-03-16 Jiayi Li , Flora D. Salim
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