Classification and structural characteristics of amorphous materials based on interpretable deep learning

Defining the structure characteristics of amorphous materials is one of the fundamental problems that need to be solved urgently in complex materials because of their complex structure and long-range disorder.In this study,we develop an interpretable deep learning model capable of accurately classifying amorphous configurations and characterizing their structural properties.The results demonstrate that the multi-dimensional hybrid convolutional neural network can classify the two-dimensional(2D)liquids and amorphous solids of molecular dynamics simulation.The classification process does not make a priori assumptions on the amorphous particle environment,and the accuracy is 92.75%,which is better than other convolutional neural networks.Moreover,our model utilizes the gradient-weighted activation-like mapping method,which generates activation-like heat maps that can precisely identify important structures in the amorphous configuration maps.We obtain an order parameter from the heatmap and conduct finite scale analysis of this parameter.Our findings demonstrate that the order parameter effectively captures the amorphous phase transition process across various systems.These results hold significant scientific implications for the study of amorphous structural characteristics via deep learning.

Interpretable deep learning for roof fall hazard detection in underground mines

Roof falls due to geological conditions are major hazards in the mining industry,causing work time loss,injuries,and fatalities.There are roof fall problems caused by high horizontal stress in several largeopening limestone mines in the eastern and midwestern United States.The typical hazard management approach for this type of roof fall hazards relies heavily on visual inspections and expert knowledge.In this context,we proposed a deep learning system for detection of the roof fall hazards caused by high horizontal stress.We used images depicting hazardous and non-hazardous roof conditions to develop a convolutional neural network(CNN)for autonomous detection of hazardous roof conditions.To compensate for limited input data,we utilized a transfer learning approach.In the transfer learning approach,an already-trained network is used as a starting point for classification in a similar domain.Results show that this approach works well for classifying roof conditions as hazardous or safe,achieving a statistical accuracy of 86.4%.This result is also compared with a random forest classifier,and the deep learning approach is more successful at classification of roof conditions.However,accuracy alone is not enough to ensure a reliable hazard management system.System constraints and reliability are improved when the features used by the network are understood.Therefore,we used a deep learning interpretation technique called integrated gradients to identify the important geological features in each image for prediction.The analysis of integrated gradients shows that the system uses the same roof features as the experts do on roof fall hazards detection.The system developed in this paper demonstrates the potential of deep learning in geotechnical hazard management to complement human experts,and likely to become an essential part of autonomous operations in cases where hazard identification heavily depends on expert knowledge.Moreover,deep learning-based systems reduce expert exposure to hazardous conditions.

A novel interpretable multilevel wavelet decomposition deep network for actual heartbeat classification

Arrhythmias may lead to sudden cardiac death if not detected and treated in time.A supraventricular premature beat(SPB)and premature ventricular contraction(PVC)are important categories of arrhythmia disease.Recently,deep learning methods have been applied to the PVC/SPB heartbeats detection.However,most researchers have focused on time-domain information of the electrocardiogram and there has been a lack of exploration of the interpretability of the model.In this study,we design an interpretable and accurate PVC/SPB recognition algorithm,called the interpretable multilevel wavelet decomposition deep network(IMWDDN).Wavelet decomposition is introduced into the deep network and the squeeze and excitation(SE)-Residual block is designed for extracting time-domain and frequency-domain features.Additionally,inspired by the idea of residual learning,we construct a novel loss function for the constant updating of the multilevel wavelet decomposition parameters.Finally,the IMWDDN is evaluated on the Third China Physiological Signal Challenge Dataset and the MIT-BIH Arrhythmia database.The comparison results show IMWDDN has better detection performance with 98.51%accuracy and a 93.75%F1-macro on average,and its areas of concern are similar to those of an expert diagnosis to a certain extent.Generally,the IMWDDN has good application value in the clinical screening of PVC/SPB heartbeats.

Visual interpretability for deep learning：a survey

This paper reviews recent studies in understanding neural-network representations and learning neural networks with interpretable/disentangled middle-layer representations.Although deep neural networks have exhibited superior performance in various tasks,interpretability is always Achilles' heel of deep neural networks.At present,deep neural networks obtain high discrimination power at the cost of a low interpretability of their black-box representations.We believe that high model interpretability may help people break several bottlenecks of deep learning,e.g.,learning from a few annotations,learning via human–computer communications at the semantic level,and semantically debugging network representations.We focus on convolutional neural networks(CNNs),and revisit the visualization of CNN representations,methods of diagnosing representations of pre-trained CNNs,approaches for disentangling pre-trained CNN representations,learning of CNNs with disentangled representations,and middle-to-end learning based on model interpretability.Finally,we discuss prospective trends in explainable artificial intelligence.

An explainable framework for load forecasting of a regional integrated energy system based on coupled features and multi-task learning

To extract strong correlations between different energy loads and improve the interpretability and accuracy for load forecasting of a regional integrated energy system(RIES),an explainable framework for load forecasting of an RIES is proposed.This includes the load forecasting model of RIES and its interpretation.A coupled feature extracting strat-egy is adopted to construct coupled features between loads as the input variables of the model.It is designed based on multi-task learning(MTL)with a long short-term memory(LSTM)model as the sharing layer.Based on SHapley Additive exPlanations(SHAP),this explainable framework combines global and local interpretations to improve the interpretability of load forecasting of the RIES.In addition,an input variable selection strategy based on the global SHAP value is proposed to select input feature variables of the model.A case study is given to verify the effectiveness of the proposed model,constructed coupled features,and input variable selection strategy.The results show that the explainable framework intuitively improves the interpretability of the prediction model.