相关论文: Transfer learning for materials informatics using …

Convolutional Neural Networks (CNNs) do not have a predictable recognition behavior with respect to the input resolution change. This prevents the feasibility of deployment on different input image resolutions for a specific model. To…

In this paper we review the mathematical foundations of convolutional neural nets (CNNs) with the goals of: i) highlighting connections with techniques from statistics, signal processing, linear algebra, differential equations, and…

Predicting properties of crystals from their structures is a fundamental yet challenging task in materials science. Unlike molecules, crystal structures exhibit infinite periodic arrangements of atoms, requiring methods capable of capturing…

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

The pre-training on the graph neural network model can learn the general features of large-scale networks or networks of the same type by self-supervised methods, which allows the model to work even when node labels are missing. However,…

Accurately predicting the elastic properties of crystalline solids is vital for computational materials science. However, traditional atomistic scale ab initio approaches are computationally intensive, especially for studying complex…

Traffic flow forecasting is a crucial first step in intelligent and proactive traffic management. Traffic flow parameters are volatile and uncertain, making traffic flow forecasting a difficult task if the appropriate forecasting model is…

Nuclei classification is a critical step in computer-aided diagnosis with histopathology images. In the past, various methods have employed graph neural networks (GNN) to analyze cell graphs that model inter-cell relationships by…

The emergent multi-principal element alloys (MPEAs) provide a vast compositional space to search for novel materials for technological advances. However, how to efficiently identify optimal compositions from such a large design space for…

Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs…

Recent advances in hardware and big data acquisition have accelerated the development of deep learning techniques. For an extended period of time, increasing the model complexity has led to performance improvements for various tasks.…

In this paper, we propose a Computer Assisted Diagnosis (CAD) system based on a deep Convolutional Neural Network (CNN) model, to build an end-to-end learning process that classifies breast mass lesions. We investigate the impact that has…

Finding quantitative descriptors representing the microstructural features of a given material is an ongoing research area in the paradigm of Materials-by-Design. Historically, microstructural analysis mostly relies on qualitative…

Deep neural networks have received considerable attention in clinical imaging, particularly with respect to the reduction of radiation risk. Lowering the radiation dose by reducing the photon flux inevitably results in the degradation of…

Graph Convolution Network (GCN) has been widely applied in recommender systems for its representation learning capability on user and item embeddings. However, GCN is vulnerable to noisy and incomplete graphs, which are common in real…

Reticular materials, including metal-organic frameworks and covalent organic frameworks, combine relative ease of synthesis and an impressive range of applications in various fields, from gas storage to biomedicine. Diverse properties arise…

Transfer learning from huge natural image datasets, fine-tuning of deep neural networks and the use of the corresponding pre-trained networks have become de facto the core of art analysis applications. Nevertheless, the effects of transfer…

In this paper, we present a transfer learning approach for music classification and regression tasks. We propose to use a pre-trained convnet feature, a concatenated feature vector using the activations of feature maps of multiple layers in…

The success of machine learning (ML) in materials property prediction depends heavily on how the materials are represented for learning. Two dominant families of material descriptors exist, one that encodes crystal structure in the…

Molecular structure-property relationships are key to molecular engineering for materials and drug discovery. The rise of deep learning offers a new viable solution to elucidate the structure-property relationships directly from chemical…