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Peter Y. Lu

dblp:244/9937 · DBLP profile ↗
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6ranked-venue papers
0as first author
6since 2021 · last 2025
0000-0001-6183-5237ORCID · corroborated

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 6 · 6 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
4 papers
Deep learning architectures and training · 46% Generative modeling · 28% Time series and sequential data · 13%
Interdisciplinary, comprehensive, and emerging computing
2 papers
Computational science and engineering · 100%
Computer architecture, parallel and distributed computing, and storage systems
1 paper
Emerging computing paradigms · 100%
Theoretical computer science
1 paper
Quantum computing and quantum information · 100%

Topics — the 9 heaviest of 11, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Deep learning architectures and training
multi-scale modeling
0.912025
Hierarchical Implicit Neural Emulators · NeurIPS 2025
Computational science and engineering › partial differential equation solver
neural PDE solver
0.912025
Hierarchical Implicit Neural Emulators · NeurIPS 2025
Machine learning › Generative modeling
diffusion model
0.812024
Deep Stochastic Mechanics · ICML 2024
Machine learning › Deep learning architectures and training
physics-informed neural network
0.812024
Deep Stochastic Mechanics · ICML 2024
Machine learning › Time series and sequential data › time series analysis › time series forecasting
chaotic time series prediction
0.712023
Training neural operators to preserve invariant measures of chaotic attractors · NeurIPS 2023
Machine learning › Deep learning architectures and training
neural operator
0.712023
Training neural operators to preserve invariant measures of chaotic attractors · NeurIPS 2023
Machine learning › Generative modeling
normalizing flow
0.712023
Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows · ICML 2023
Computational science and engineering › computational physics
physics simulation
0.712023
Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows · ICML 2023
Emerging computing paradigms
quantum computing
0.712023
Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows · ICML 2023

Methods — techniques the papers use, named apart from their topics

time-dependent variational principle · 2.0normalizing flow · 2.0euler method · 2.0temporal downsampling · 1.7implicit time-stepping · 1.7markovian diffusion · 1.5diffusion model · 1.5deep learning · 1.5physics-informed neural networks · 1.3physics-informed neural network · 0.7contrastive learning · 0.7
YearPublicationVenuePosition
2025 Hierarchical Implicit Neural Emulators
abstract
Neural PDE solvers offer a powerful tool for modeling complex dynamical systems, but often struggle with error accumulation over long time horizons and maintaining stability and physical consistency. We introduce a multiscale implicit neural emulator that enhances long-term prediction accuracy by conditioning on a hierarchy of lower-dimensional future state representations. Drawing inspiration from the stability properties of numerical implicit time-stepping methods, our approach leverages predictions several steps ahead in time at increasing compression rates for next-timestep refinements. By actively adjusting the temporal downsampling ratios, our design enables the model to capture dynamics across multiple granularities and enforce long-range temporal coherence. Experiments on turbulent fluid dynamics show that our method achieves high short-term accuracy and produces long-term stable forecasts, significantly outperforming autoregressive baselines while adding minimal computational overhead.
Ruoxi Jiang, Karan Jakhar, Peter Y. Lu, Pedram Hassanzadeh, Michael Maire, Rebecca Willett
NeurIPS4
2024 Deep Stochastic Mechanics
abstract
This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schrödinger equation inspired by stochastic mechanics and generative diffusion models. Unlike existing approaches, which exhibit computational complexity that scales exponentially in the problem dimension, our method allows us to adapt to the latent low-dimensional structure of the wave function by sampling from the Markovian diffusion. Depending on the latent dimension, our method may have far lower computational complexity in higher dimensions. Moreover, we propose novel equations for stochastic quantum mechanics, resulting in quadratic computational complexity with respect to the number of dimensions. Numerical simulations verify our theoretical findings and show a significant advantage of our method compared to other deep-learning-based approaches used for quantum mechanics.
Elena Orlova, Aleksei Ustimenko, Ruoxi Jiang, Peter Y. Lu, Rebecca Willett
ICML4
2024 Deep Learning and Symbolic Regression for Discovering Parametric Equations
abstract
Symbolic regression is a machine learning technique that can learn the equations governing data and thus has the potential to transform scientific discovery. However, symbolic regression is still limited in the complexity and dimensionality of the systems that it can analyze. Deep learning, on the other hand, has transformed machine learning in its ability to analyze extremely complex and high-dimensional datasets. We propose a neural network architecture to extend symbolic regression to parametric systems where some coefficient may vary, but the structure of the underlying governing equation remains constant. We demonstrate our method on various analytic expressions and partial differential equations (PDEs) with varying coefficients and show that it extrapolates well outside of the training domain. The proposed neural-network-based architecture can also be enhanced by integrating with other deep learning architectures such that it can analyze high-dimensional data while being trained end-to-end. To this end, we demonstrate the scalability of our architecture by incorporating a convolutional encoder to analyze 1-D images of varying spring systems.
Samuel Kim, Peter Y. Lu, Marin Soljacic
IEEE Trans. Neural Networks Learn. Syst.3
2023 Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows
abstract
Studying the dynamics of open quantum systems can enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Since the density matrix $\rho$, which is the fundamental description for the dynamics of such systems, is high-dimensional, customized deep generative neural networks have been instrumental in modeling $\rho$. However, the complex-valued nature and normalization constraints of $\rho$, as well as its complicated dynamics, prohibit a seamless connection between open quantum systems and the recent advances in deep generative modeling. Here we lift that limitation by utilizing a reformulation of open quantum system dynamics to a partial differential equation (PDE) for a corresponding probability distribution $Q$, the Husimi Q function. Thus, we model the Q function seamlessly with off-the-shelf deep generative models such as normalizing flows. Additionally, we develop novel methods for learning normalizing flow evolution governed by high-dimensional PDEs based on the Euler method and the application of the time-dependent variational principle. We name the resulting approach Q-Flow and demonstrate the scalability and efficiency of Q-Flow on open quantum system simulations, including the dissipative harmonic oscillator and the dissipative bosonic model. Q-Flow is superior to conventional PDE solvers and state-of-the-art physics-informed neural network solvers, especially in high-dimensional systems.
Owen Dugan, Peter Y. Lu, Rumen Dangovski, Marin Soljacic
ICML2
2023 Training neural operators to preserve invariant measures of chaotic attractors
abstract
Chaotic systems make long-horizon forecasts difficult because small perturbations in initial conditions cause trajectories to diverge at an exponential rate. In this setting, neural operators trained to minimize squared error losses, while capable of accurate short-term forecasts, often fail to reproduce statistical or structural properties of the dynamics over longer time horizons and can yield degenerate results. In this paper, we propose an alternative framework designed to preserve invariant measures of chaotic attractors that characterize the time-invariant statistical properties of the dynamics. Specifically, in the multi-environment setting (where each sample trajectory is governed by slightly different dynamics), we consider two novel approaches to training with noisy data. First, we propose a loss based on the optimal transport distance between the observed dynamics and the neural operator outputs. This approach requires expert knowledge of the underlying physics to determine what statistical features should be included in the optimal transport loss. Second, we show that a contrastive learning framework, which does not require any specialized prior knowledge, can preserve statistical properties of the dynamics nearly as well as the optimal transport approach. On a variety of chaotic systems, our method is shown empirically to preserve invariant measures of chaotic attractors.
Ruoxi Jiang, Peter Y. Lu, Elena Orlova, Rebecca Willett
NeurIPS2
2021 Integration of Neural Network-Based Symbolic Regression in Deep Learning for Scientific Discovery
abstract
Symbolic regression is a powerful technique to discover analytic equations that describe data, which can lead to explainable models and the ability to predict unseen data. In contrast, neural networks have achieved amazing levels of accuracy on image recognition and natural language processing tasks, but they are often seen as black-box models that are difficult to interpret and typically extrapolate poorly. In this article, we use a neural network-based architecture for symbolic regression called the equation learner (EQL) network and integrate it with other deep learning architectures such that the whole system can be trained end-to-end through backpropagation. To demonstrate the power of such systems, we study their performance on several substantially different tasks. First, we show that the neural network can perform symbolic regression and learn the form of several functions. Next, we present an MNIST arithmetic task where a convolutional network extracts the digits. Finally, we demonstrate the prediction of dynamical systems where an unknown parameter is extracted through an encoder. We find that the EQL-based architecture can extrapolate quite well outside of the training data set compared with a standard neural network-based architecture, paving the way for deep learning to be applied in scientific exploration and discovery.
Samuel Kim, Peter Y. Lu, Srijon Mukherjee, Michael Gilbert, Li Jing 0001, Vladimir Ceperic, Marin Soljacic
IEEE Trans. Neural Networks Learn. Syst.2