Anomaly Detection (AD) is a critical task that involves identifying observations that do not conform to a learned model of normality. Prior work in deep AD is predominantly based on a familiarity hypothesis, where familiar features serve as the reference in a pre-trained embedding space. While this strategy has proven highly successful, it turns out that it causes consistent false negatives when anomalies consist of truly novel features that are not well captured by the pre-trained encoding. We propose a novel approach to AD using explainability to capture novel features as unexplained observations in the input space. We achieve strong performance across a wide range of anomaly benchmarks by combining similarity and novelty in a hybrid approach. Our approach establishes a new state-of-the-art across multiple benchmarks, handling diverse anomaly types while eliminating the need for expensive background models and dense matching. In particular, we show that by taking account of novel features, we reduce false negative anomalies by up to 40% on challenging benchmarks compared to the state-of-the-art. Our method gives visually inspectable explanations for pixel-level anomalies.
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We derive optimality conditions for the optimum sample allocation problem in stratified sampling, formulated as the determination of the fixed strata sample sizes that minimize the total cost of the survey, under the assumed level of variance of the stratified $\pi$ estimator of the population total (or mean) and one-sided upper bounds imposed on sample sizes in strata. In this context, we presume that the variance function is of some generic form that, in particular, covers the case of the simple random sampling without replacement design in strata. The optimality conditions mentioned above will be derived from the Karush-Kuhn-Tucker conditions. Based on the established optimality conditions, we provide a formal proof of the optimality of the existing procedure, termed here as LRNA, which solves the allocation problem considered. We formulate the LRNA in such a way that it also provides the solution to the classical optimum allocation problem (i.e. minimization of the estimator's variance under a fixed total cost) under one-sided lower bounds imposed on sample sizes in strata. In this context, the LRNA can be considered as a counterparty to the popular recursive Neyman allocation procedure that is used to solve the classical problem of an optimum sample allocation with added one-sided upper bounds. Ready-to-use R-implementation of the LRNA is available through our stratallo package, which is published on the Comprehensive R Archive Network (CRAN) package repository.
Multicalibration is a notion of fairness for predictors that requires them to provide calibrated predictions across a large set of protected groups. Multicalibration is known to be a distinct goal than loss minimization, even for simple predictors such as linear functions. In this work, we consider the setting where the protected groups can be represented by neural networks of size $k$, and the predictors are neural networks of size $n > k$. We show that minimizing the squared loss over all neural nets of size $n$ implies multicalibration for all but a bounded number of unlucky values of $n$. We also give evidence that our bound on the number of unlucky values is tight, given our proof technique. Previously, results of the flavor that loss minimization yields multicalibration were known only for predictors that were near the ground truth, hence were rather limited in applicability. Unlike these, our results rely on the expressivity of neural nets and utilize the representation of the predictor.
Uniformly valid inference for cointegrated vector autoregressive processes has so far proven difficult due to certain discontinuities arising in the asymptotic distribution of the least squares estimator. We extend asymptotic results from the univariate case to multiple dimensions and show how inference can be based on these results. Furthermore, we show that lag augmentation and a recent instrumental variable procedure can also yield uniformly valid tests and confidence regions. We verify the theoretical findings and investigate finite sample properties in simulation experiments for two specific examples.
Estimation of quantum relative entropy and its R\'{e}nyi generalizations is a fundamental statistical task in quantum information theory, physics, and beyond. While several estimators of these divergences have been proposed in the literature along with their computational complexities explored, a limit distribution theory which characterizes the asymptotic fluctuations of the estimation error is still premature. As our main contribution, we characterize these asymptotic distributions in terms of Fr\'{e}chet derivatives of elementary operator-valued functions. We achieve this by leveraging an operator version of Taylor's theorem and identifying the regularity conditions needed. As an application of our results, we consider an estimator of quantum relative entropy based on Pauli tomography of quantum states and show that the resulting asymptotic distribution is a centered normal, with its variance characterized in terms of the Pauli operators and states. We utilize the knowledge of the aforementioned limit distribution to obtain asymptotic performance guarantees for a multi-hypothesis testing problem.
Time series discords are a useful primitive for time series anomaly detection, and the matrix profile is capable of capturing discord effectively. There exist many research efforts to improve the scalability of discord discovery with respect to the length of time series. However, there is surprisingly little work focused on reducing the time complexity of matrix profile computation associated with dimensionality of a multidimensional time series. In this work, we propose a sketch for discord mining among multi-dimensional time series. After an initial pre-processing of the sketch as fast as reading the data, the discord mining has runtime independent of the dimensionality of the original data. On several real world examples from water treatment and transportation, the proposed algorithm improves the throughput by at least an order of magnitude (50X) and only has minimal impact on the quality of the approximated solution. Additionally, the proposed method can handle the dynamic addition or deletion of dimensions inconsequential overhead. This allows a data analyst to consider "what-if" scenarios in real time while exploring the data.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
Recently, a considerable literature has grown up around the theme of Graph Convolutional Network (GCN). How to effectively leverage the rich structural information in complex graphs, such as knowledge graphs with heterogeneous types of entities and relations, is a primary open challenge in the field. Most GCN methods are either restricted to graphs with a homogeneous type of edges (e.g., citation links only), or focusing on representation learning for nodes only instead of jointly propagating and updating the embeddings of both nodes and edges for target-driven objectives. This paper addresses these limitations by proposing a novel framework, namely the Knowledge Embedding based Graph Convolutional Network (KE-GCN), which combines the power of GCNs in graph-based belief propagation and the strengths of advanced knowledge embedding (a.k.a. knowledge graph embedding) methods, and goes beyond. Our theoretical analysis shows that KE-GCN offers an elegant unification of several well-known GCN methods as specific cases, with a new perspective of graph convolution. Experimental results on benchmark datasets show the advantageous performance of KE-GCN over strong baseline methods in the tasks of knowledge graph alignment and entity classification.
Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.
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