Self-supervised learning on graphs has recently drawn a lot of attention due to its independence from labels and its robustness in representation. Current studies on this topic mainly use static information such as graph structures but cannot well capture dynamic information such as timestamps of edges. Realistic graphs are often dynamic, which means the interaction between nodes occurs at a specific time. This paper proposes a self-supervised dynamic graph representation learning framework (DySubC), which defines a temporal subgraph contrastive learning task to simultaneously learn the structural and evolutional features of a dynamic graph. Specifically, a novel temporal subgraph sampling strategy is firstly proposed, which takes each node of the dynamic graph as the central node and uses both neighborhood structures and edge timestamps to sample the corresponding temporal subgraph. The subgraph representation function is then designed according to the influence of neighborhood nodes on the central node after encoding the nodes in each subgraph. Finally, the structural and temporal contrastive loss are defined to maximize the mutual information between node representation and temporal subgraph representation. Experiments on five real-world datasets demonstrate that (1) DySubC performs better than the related baselines including two graph contrastive learning models and four dynamic graph representation learning models in the downstream link prediction task, and (2) the use of temporal information can not only sample more effective subgraphs, but also learn better representation by temporal contrastive loss.

Rolling bearings are one of the most widely used bearings in industrial machines. Deterioration in the condition of rolling bearings can result in the total failure of rotating machinery. AI-based methods are widely applied in the diagnosis of rolling bearings. Hybrid NN-based methods have been shown to achieve the best diagnosis results. Typically, raw data is generated from accelerometers mounted on the machine housing. However, the diagnostic utility of each signal is highly dependent on the location of the corresponding accelerometer. This paper proposes a novel hybrid CNN-MLP model-based diagnostic method which combines mixed input to perform rolling bearing diagnostics. The method successfully detects and localizes bearing defects using acceleration data from a shaft-mounted wireless acceleration sensor. The experimental results show that the hybrid model is superior to the CNN and MLP models operating separately, and can deliver a high detection accuracy of 99,6% for the bearing faults compared to 98% for CNN and 81% for MLP models.

Abstract--We prove that Centered Kernel Alignment (CKA) based on a Gaussian RBF kernel converges to linear CKA in the large-bandwidth limit. We show that convergence onset is sensitive to the geometry of the feature representations, and that representation eccentricity bounds the range of bandwidths for which Gaussian CKA behaves nonlinearly. Centered Kernel Alignment (CKA) was first proposed as a large-bandwidth asymptotics of Gaussian CKA. A limit result measure of similarity between kernels in the context of kernel for Gaussian kernel SVM classification appeared in [17], but learning [1], [2], building on prior work on (non-centered) relies on an analysis of the dual formulation of the maximummargin kernel-target alignment [3]. Versions for functional data optimization problem that does not translate directly of CKA and the associated Hilbert-Schmidt Independence to kernel CKA.

Modern statistical applications often involve minimizing an objective function that may be nonsmooth and/or nonconvex. This paper focuses on a broad Bregman-surrogate algorithm framework including the local linear approximation, mirror descent, iterative thresholding, DC programming and many others as particular instances. The recharacterization via generalized Bregman functions enables us to construct suitable error measures and establish global convergence rates for nonconvex and nonsmooth objectives in possibly high dimensions. For sparse learning problems with a composite objective, under some regularity conditions, the obtained estimators as the surrogate's fixed points, though not necessarily local minimizers, enjoy provable statistical guarantees, and the sequence of iterates can be shown to approach the statistical truth within the desired accuracy geometrically fast. The paper also studies how to design adaptive momentum based accelerations without assuming convexity or smoothness by carefully controlling stepsize and relaxation parameters.

Neural density estimators have proven remarkably powerful in performing efficient simulation-based Bayesian inference in various research domains. In particular, the BayesFlow framework uses a two-step approach to enable amortized parameter estimation in settings where the likelihood function is implicitly defined by a simulation program. But how faithful is such inference when simulations are poor representations of reality? In this paper, we conceptualize the types of model misspecification arising in simulation-based inference and systematically investigate the performance of the BayesFlow framework under these misspecifications. We propose an augmented optimization objective which imposes a probabilistic structure on the latent data space and utilize maximum mean discrepancy (MMD) to detect potentially catastrophic misspecifications during inference undermining the validity of the obtained results. We verify our detection criterion on a number of artificial and realistic misspecifications, ranging from toy conjugate models to complex models of decision making and disease outbreak dynamics applied to real data. Further, we show that posterior inference errors increase as a function of the distance between the true data-generating distribution and the typical set of simulations in the latent summary space. Thus, we demonstrate the dual utility of MMD as a method for detecting model misspecification and as a proxy for verifying the faithfulness of amortized Bayesian inference.

Data imbalance is common in production data, where controlled production settings require data to fall within a narrow range of variation and data are collected with quality assessment in mind, rather than data analytic insights. This imbalance negatively impacts the predictive performance of models on underrepresented observations. We propose sampling to adjust for this imbalance with the goal of improving the performance of models trained on historical production data. We investigate the use of three sampling approaches to adjust for imbalance. The goal is to downsample the covariates in the training data and subsequently fit a regression model. We investigate how the predictive power of the model changes when using either the sampled or the original data for training. We apply our methods on a large biopharmaceutical manufacturing data set from an advanced simulation of penicillin production and find that fitting a model using the sampled data gives a small reduction in the overall predictive performance, but yields a systematically better performance on underrepresented observations. In addition, the results emphasize the need for alternative, fair, and balanced model evaluations.

Cognitive processing signals can be used to improve natural language processing (NLP) tasks. However, it is not clear how these signals correlate with linguistic information. Bridging between human language processing and linguistic features has been widely studied in neurolinguistics, usually via single-variable controlled experiments with highly-controlled stimuli. Such methods not only compromises the authenticity of natural reading, but also are time-consuming and expensive. In this paper, we propose a data-driven method to investigate the relationship between cognitive processing signals and linguistic features. Specifically, we present a unified attentional framework that is composed of embedding, attention, encoding and predicting layers to selectively map cognitive processing signals to linguistic features. We define the mapping procedure as a bridging task and develop 12 bridging tasks for lexical, syntactic and semantic features. The proposed framework only requires cognitive processing signals recorded under natural reading as inputs, and can be used to detect a wide range of linguistic features with a single cognitive dataset. Observations from experiment results resonate with previous neuroscience findings. In addition to this, our experiments also reveal a number of interesting findings, such as the correlation between contextual eye-tracking features and tense of sentence.

Clinical decision support tools rooted in machine learning and optimization can provide significant value to healthcare providers, including through better management of intensive care units. In particular, it is important that the patient discharge task addresses the nuanced trade-off between decreasing a patient's length of stay (and associated hospitalization costs) and the risk of readmission or even death following the discharge decision. This work introduces an end-to-end general framework for capturing this trade-off to recommend optimal discharge timing decisions given a patient's electronic health records. A data-driven approach is used to derive a parsimonious, discrete state space representation that captures a patient's physiological condition. Based on this model and a given cost function, an infinite-horizon discounted Markov decision process is formulated and solved numerically to compute an optimal discharge policy, whose value is assessed using off-policy evaluation strategies. Extensive numerical experiments are performed to validate the proposed framework using real-life intensive care unit patient data.

In this paper we consider the problem of unsupervised anomaly segmentation in medical images, which has attracted increasing attention in recent years due to the expensive pixel-level annotations from experts and the existence of a large amount of unannotated normal and abnormal image scans. We introduce a segmentation network that utilizes adversarial learning to partition an image into two cuts, with one of them falling into a reference distribution provided by the user. This Adversarial-based Selective Cutting network (ASC-Net) bridges the two domains of cluster-based deep segmentation and adversarial-based anomaly/novelty detection algorithms. Our ASC-Net learns from normal and abnormal medical scans to segment anomalies in medical scans without any masks for supervision. We evaluate this unsupervised anomly segmentation model on three public datasets, i.e., BraTS 2019 for brain tumor segmentation, LiTS for liver lesion segmentation, and MS-SEG 2015 for brain lesion segmentation, and also on a private dataset for brain tumor segmentation. Compared to existing methods, our model demonstrates tremendous performance gains in unsupervised anomaly segmentation tasks. Although there is still room to further improve performance compared to supervised learning algorithms, the promising experimental results and interesting observations shed light on building an unsupervised learning algorithm for medical anomaly identification using user-defined knowledge.

Unsupervised graph-level representation learning plays a crucial role in a variety of tasks such as molecular property prediction and community analysis, especially when data annotation is expensive. Currently, most of the best-performing graph embedding methods are based on Infomax principle. The performance of these methods highly depends on the selection of negative samples and hurt the performance, if the samples were not carefully selected. Inter-graph similarity-based methods also suffer if the selected set of graphs for similarity matching is low in quality. To address this, we focus only on utilizing the current input graph for embedding learning. We are motivated by an observation from real-world graph generation processes where the graphs are formed based on one or more global factors which are common to all elements of the graph (e.g., topic of a discussion thread, solubility level of a molecule). We hypothesize extracting these common factors could be highly beneficial. Hence, this work proposes a new principle for unsupervised graph representation learning: Graph-wise Common latent Factor EXtraction (GCFX). We further propose a deep model for GCFX, deepGCFX, based on the idea of reversing the above-mentioned graph generation process which could explicitly extract common latent factors from an input graph and achieve improved results on downstream tasks to the current state-of-the-art. Through extensive experiments and analysis, we demonstrate that, while extracting common latent factors is beneficial for graph-level tasks to alleviate distractions caused by local variations of individual nodes or local neighbourhoods, it also benefits node-level tasks by enabling long-range node dependencies, especially for disassortative graphs.