**Deep Divergence Graph Kernel (DDGK)**

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or labeled graphs). We propose Deep Divergence Graph Kernels, an unsupervised method for learning representations over graphs that encodes a relaxed notion of graph isomorphism. Our method consists of three parts. First, we learn an encoder for each anchor graph to capture its structure. Second, for each pair of graphs, we train a cross-graph attention network which uses the node representations of an anchor graph to reconstruct another graph. This approach, which we call isomorphism attention, captures how well the representations of one graph can encode another. We use the attention-augmented encoder’s predictions to define a divergence score for each pair of graphs. Finally, we construct an embedding space for all graphs using these pair-wise divergence scores. Unlike previous work, much of which relies on 1) supervision, 2) domain specific knowledge (e.g. a reliance on Weisfeiler-Lehman kernels), and 3) known node alignment, our unsupervised method jointly learns node representations, graph representations, and an attention-based alignment between graphs. Our experimental results show that Deep Divergence Graph Kernels can learn an unsupervised alignment between graphs, and that the learned representations achieve competitive results when used as features on a number of challenging graph classification tasks. Furthermore, we illustrate how the learned attention allows insight into the the alignment of sub-structures across graphs. … **Open Category Detection**

Open category detection is the problem of detecting ‘alien’ test instances that belong to categories or classes that were not present in the training data. In many applications, reliably detecting such aliens is central to ensuring the safety and accuracy of test set predictions. Unfortunately, there are no algorithms that provide theoretical guarantees on their ability to detect aliens under general assumptions. Further, while there are algorithms for open category detection, there are few empirical results that directly report alien detection rates. … **AdaOja**

Oja’s algorithm has been the cornerstone of streaming methods in Principal Component Analysis (PCA) since it was first proposed in 1982. However, Oja’s algorithm does not have a standardized choice of learning rate (step size) that both performs well in practice and truly conforms to the online streaming setting. In this paper, we propose a new learning rate scheme for Oja’s method called AdaOja. This new algorithm requires only a single pass over the data and does not depend on knowing properties of the data set a priori. AdaOja is a novel variation of the Adagrad algorithm to Oja’s algorithm in the single eigenvector case and extended to the multiple eigenvector case. We demonstrate for dense synthetic data, sparse real-world data and dense real-world data that AdaOja outperforms common learning rate choices for Oja’s method. We also show that AdaOja performs comparably to state-of-the-art algorithms (History PCA and Streaming Power Method) in the same streaming PCA setting. … **Functional Multilayer Perceptron (Functional MLP)**

Remaining Useful Life (RUL) of an equipment or one of its components is defined as the time left until the equipment or component reaches its end of useful life. Accurate RUL estimation is exceptionally beneficial to Predictive Maintenance, and Prognostics and Health Management (PHM). Data driven approaches which leverage the power of algorithms for RUL estimation using sensor and operational time series data are gaining popularity. Existing algorithms, such as linear regression, Convolutional Neural Network (CNN), Hidden Markov Models (HMMs), and Long Short-Term Memory (LSTM), have their own limitations for the RUL estimation task. In this work, we propose a novel Functional Data Analysis (FDA) method called functional Multilayer Perceptron (functional MLP) for RUL estimation. Functional MLP treats time series data from multiple equipment as a sample of random continuous processes over time. FDA explicitly incorporates both the correlations within the same equipment and the random variations across different equipment’s sensor time series into the model. FDA also has the benefit of allowing the relationship between RUL and sensor variables to vary over time. We implement functional MLP on the benchmark NASA C-MAPSS data and evaluate the performance using two popularly-used metrics. Results show the superiority of our algorithm over all the other state-of-the-art methods. …

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