相关论文: Multi-task Neural Networks for QSAR Predictions

The scientific community is able to present a new set of solutions to practical problems that substantially improve the performance of modern technology in terms of efficiency and speed of computation due to the advancement in neural…

This work theoretically investigates the performance of a composite neural network. A composite neural network is a rooted directed acyclic graph combining a set of pre-trained and non-instantiated neural network models, where a pre-trained…

Artificial neurons built on synthetic gene networks have potential applications ranging from complex cellular decision-making to bioreactor regulation. Furthermore, due to the high information throughput of natural systems, it provides an…

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

Artificial neural network (ANN) has been widely used due to its strong nonlinear mapping ability, fault tolerance and self-learning ability. This article summarizes the development history of artificial neural networks, introduces three…

Neural processes have recently emerged as a class of powerful neural latent variable models that combine the strengths of neural networks and stochastic processes. As they can encode contextual data in the network's function space, they…

The task of Question Answering has gained prominence in the past few decades for testing the ability of machines to understand natural language. Large datasets for Machine Reading have led to the development of neural models that cater to…

This paper presents a transformative framework for artificial neural networks over graded vector spaces, tailored to model hierarchical and structured data in fields like algebraic geometry and physics. By exploiting the algebraic…

Machine learning is a field of computer science that builds algorithms that learn. In many cases, machine learning algorithms are used to recreate a human ability like adding a caption to a photo, driving a car, or playing a game. While the…

Neural networks (NNs) are employed to predict equations of state from a given isotropic pair potential using the virial expansion of the pressure. The NNs are trained with data from molecular dynamics simulations of monoatomic gases and…

We develop new algorithms for estimating heterogeneous treatment effects, combining recent developments in transfer learning for neural networks with insights from the causal inference literature. By taking advantage of transfer learning,…

Quantum Recurrent Neural Networks (QRNNs) are robust candidates for modelling and predicting future values in multivariate time series. However, the effective implementation of some QRNN models is limited by the need for mid-circuit…

We explore artificial neural networks as a tool for the reconstruction of spectral functions from imaginary time Green's functions, a classic ill-conditioned inverse problem. Our ansatz is based on a supervised learning framework in which…

Neural networks are computing models that have been leading progress in Machine Learning (ML) and Artificial Intelligence (AI) applications. In parallel, the first small scale quantum computing devices have become available in recent years,…

Precipitation prediction has undergone a profound transformation. A notable limitation of traditional NWP is the need for extensive statistical post-processing. To address this challenge, neural network-based approaches were developed.…

Accurate amine property prediction is essential for optimizing CO2 capture efficiency in post-combustion processes. Quantum machine learning (QML) can enhance predictive modeling by leveraging superposition, entanglement, and interference…

Quantum computers promise improving machine learning. We investigated the performance of new quantum neural network designs. Quantum neural networks currently employed rely on a feature map to encode the input into a quantum state. This…

Self-supervised learning is currently gaining a lot of attention, as it allows neural networks to learn robust representations from large quantities of unlabeled data. Additionally, multi-task learning can further improve representation…

In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of systems in chemistry, physics and materials science. Different…

Artificial neural networks have achieved great success in many fields ranging from image recognition to video understanding. However, its high requirements for computing and memory resources have limited further development on processing…