Chemical reaction networks and opportunities for machine learning

M Wen, EWC Spotte-Smith, SM Blau… - Nature Computational …, 2023 - nature.com
Chemical reaction networks (CRNs), defined by sets of species and possible reactions
between them, are widely used to interrogate chemical systems. To capture increasingly …

On neural differential equations

P Kidger - arXiv preprint arXiv:2202.02435, 2022 - arxiv.org
The conjoining of dynamical systems and deep learning has become a topic of great
interest. In particular, neural differential equations (NDEs) demonstrate that neural networks …

Denoising diffusion implicit models

J Song, C Meng, S Ermon - arXiv preprint arXiv:2010.02502, 2020 - arxiv.org
Denoising diffusion probabilistic models (DDPMs) have achieved high quality image
generation without adversarial training, yet they require simulating a Markov chain for many …

Beltrami flow and neural diffusion on graphs

B Chamberlain, J Rowbottom… - Advances in …, 2021 - proceedings.neurips.cc
We propose a novel class of graph neural networks based on the discretized Beltrami flow, a
non-Euclidean diffusion PDE. In our model, node features are supplemented with positional …

Effectively modeling time series with simple discrete state spaces

M Zhang, KK Saab, M Poli, T Dao, K Goel… - arXiv preprint arXiv …, 2023 - arxiv.org
Time series modeling is a well-established problem, which often requires that methods (1)
expressively represent complicated dependencies,(2) forecast long horizons, and (3) …

A framework for machine learning of model error in dynamical systems

M Levine, A Stuart - Communications of the American Mathematical Society, 2022 - ams.org
The development of data-informed predictive models for dynamical systems is of
widespread interest in many disciplines. We present a unifying framework for blending …

Generalization bounds for neural ordinary differential equations and deep residual networks

P Marion - Advances in Neural Information Processing …, 2024 - proceedings.neurips.cc
Neural ordinary differential equations (neural ODEs) are a popular family of continuous-
depth deep learning models. In this work, we consider a large family of parameterized ODEs …

On numerical integration in neural ordinary differential equations

A Zhu, P Jin, B Zhu, Y Tang - International Conference on …, 2022 - proceedings.mlr.press
The combination of ordinary differential equations and neural networks, ie, neural ordinary
differential equations (Neural ODE), has been widely studied from various angles. However …

Noisy recurrent neural networks

SH Lim, NB Erichson, L Hodgkinson… - Advances in Neural …, 2021 - proceedings.neurips.cc
We provide a general framework for studying recurrent neural networks (RNNs) trained by
injecting noise into hidden states. Specifically, we consider RNNs that can be viewed as …

Understanding self-attention mechanism via dynamical system perspective

Z Huang, M Liang, J Qin, S Zhong… - Proceedings of the …, 2023 - openaccess.thecvf.com
The self-attention mechanism (SAM) is widely used in various fields of artificial intelligence
and has successfully boosted the performance of different models. However, current …