相关论文: On reaction network implementations of neural netw…

Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize…

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an…

Neural ordinary differential equations (Neural ODEs) propose the idea that a sequence of layers in a neural network is just a discretisation of an ODE, and thus can instead be directly modelled by a parameterised ODE. This idea has had…

Recurrent neural network architectures can have useful computational properties, with complex temporal dynamics and input-sensitive attractor states. However, evaluation of recurrent dynamic architectures requires solution of systems of…

In this work, we propose a general inversion framework to non-uniquely invert a very large class of ordinary differential equations (ODEs) into chemical reaction networks. A thorough treatment of the relevant chemical reaction network…

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link…

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing…

Deep learning has become a pivotal technology in fields such as computer vision, scientific computing, and dynamical systems, significantly advancing these disciplines. However, neural Networks persistently face challenges related to…

We consider neural networks with rational activation functions. The choice of the nonlinear activation function in deep learning architectures is crucial and heavily impacts the performance of a neural network. We establish optimal bounds…

We explore in detail a method to solve ordinary differential equations using feedforward neural networks. We prove a specific loss function, which does not require knowledge of the exact solution, to be a suitable standard metric to…

Recently, deep residual networks have been successfully applied in many computer vision and natural language processing tasks, pushing the state-of-the-art performance with deeper and wider architectures. In this work, we interpret deep…

Most deep neural networks use simple, fixed activation functions, such as sigmoids or rectified linear units, regardless of domain or network structure. We introduce differential equation units (DEUs), an improvement to modern neural…

Neural Ordinary Differential Equations (ODEs) have been successful in various applications due to their continuous nature and parameter-sharing efficiency. However, these unique characteristics also introduce challenges in training,…

Reaction-diffusion systems represent one of the most fundamental formulations used to describe a wide range of physical, chemical, and biological processes. With the increasing adoption of neural networks, recent research has focused on…

Residual neural networks are state-of-the-art deep learning models. Their continuous-depth analog, neural ordinary differential equations (ODEs), are also widely used. Despite their success, the link between the discrete and continuous…

In the first part of this paper, we propose new optimization-based methods for the computation of preferred (dense, sparse, reversible, detailed and complex balanced) linearly conjugate reaction network structures with mass action dynamics.…

Neural networks are universal function approximators which are known to generalize well despite being dramatically overparameterized. We study this phenomenon from the point of view of the spectral bias of neural networks. Our contributions…

We demonstrate the use of neural networks to accelerate the reaction steps in the MAESTROeX stellar hydrodynamics code. A traditional MAESTROeX simulation uses a stiff ODE integrator for the reactions; here we employ a ResNet architecture…

We show how neural models can be used to realize piece-wise constant functions such as decision trees. The proposed architecture, which we call locally constant networks, builds on ReLU networks that are piece-wise linear and hence their…

A detailed algorithmic explanation is required for how a network of chemical reactions can generate the sophisticated behavior displayed by living cells. Though several previous works have shown that reaction networks are computationally…