Property-Aware Relation Networks for Few-Shot Molecular Property Prediction.

Molecular property prediction plays a fundamental role in AI-aided drug discovery to identify candidate molecules, which is also essentially a few-shot problem due to lack of labeled data. In this paper, we propose Property-Aware Relation networks (PAR) to handle this problem. We first introduce a property-aware molecular encoder to transform the generic molecular embeddings to property-aware ones. Then, we design a query-dependent relation graph learning module to estimate molecular relation graph and refine molecular embeddings w.r.t. the target property. Thus, the facts that both property-related information and relationships among molecules change across different properties are utilized to better learn and propagate molecular embeddings. Generally, PAR can be regarded as a combination of metric-based and optimization-based few-shot learning method. We further extend PAR to Transferable PAR (T-PAR) to handle the distribution shift, which is common in drug discovery. The keys are joint sampling and relation graph learning schemes, which simultaneously learn molecular embeddings from both source and target domains. Extensive results on benchmark datasets show that PAR and T-PAR consistently outperform existing methods on few-shot and transferable few-shot molecular property prediction tasks, respectively. Besides, ablation and case studies are conducted to validate the rationality of our designs in PAR and T-PAR.

[Research Progress in Physiological Evaluation and Treatment of Visually Induced Motion Sickness in Virtual Reality].

Visually induced motion sickness(VIMS)is the major barrier to be broken in the development of virtual reality(VR)technology,which seriously affects the progress in the VR industry.Therefore,the detection and evaluation of VIMS has become a hot research topic nowadays.We review the progress in physiological assessment of VIMS in VR based on several physiological indicators,including electroencephalogram(EEG),postural sway,eye movements,heart rate variability,and skin electrical signals,and summarize the available therapies,aiming to provide an outlook on the future research directions of VIMS.

SCC-MPGCN: self-attention coherence clustering based on multi-pooling graph convolutional network for EEG emotion recognition.

The emotion recognition with electroencephalography (EEG) has been widely studied using the deep learning methods, but the topology of EEG channels is rarely exploited completely. In this paper, we propose a self-attention coherence clustering based on multi-pooling graph convolutional network (SCC-MPGCN) model for EEG emotion recognition. The adjacency matrix is constructed based on phase-locking value to describe the intrinsic relationship between different EEG electrodes as graph signals. The graph Laplacian matrix is obtained from the adjacency matrix and then is fed into the graph convolutional layers to learn the generalized features. Moreover, we propose a novel graph coarsening method called SCC, using the coherence to cluster the nodes. The benefits are that the dimensionality of adjacency matrix can be reduced and the global information can be achieved from the raw data. Meanwhile, a MPGCN block is introduced to learn the generalized features of emotional states. The fully-connected layer and a softmax layer are adopted to derive the final classification results. We carry out the extensive experiments on DEAP dataset and the results show that the proposed method has better classification results than the state-of-the-art methods with the ten-fold cross-validation. And the model achieves the emotion recognition performance with a mean accuracy of 96.37%, 97.02%, 96.72% on valence, arousal, and dominance dimension, respectively.

A data set of global river networks and corresponding water resources zones divisions.

As basic data, the river networks and water resources zones (WRZ) are critical for planning, utilization, development, conservation and management of water resources. Currently, the river network and WRZ of world are most obtained based on digital elevation model data automatically, which are not accuracy enough, especially in plains. In addition, the WRZ code is inconsistent with the river network, hindering the efficiency of data in hydrology and water resources research. Based on the global 90-meter DEM data combined with a large number of auxiliary data, this paper proposed a series of methods for generating river network and water resources zones, and then obtained high-precision global river network and corresponding WRZs at level 1 to 4. The dataset provides generated rivers with high prevision and more accurate position, reasonable basin boundaries especially in inland and plain area, also the first set of global WRZ at level 1 to 4 with unified code. It can provide an important basis and support for reasonable use of water resources and sustainable social development in the world.