Data augmentation plays a critical role in self-supervised learning, including anomaly detection. While hand-crafted transformations such as image rotations can achieve impressive performance on image data, effective transformations of non-image data are lacking. In this work, we study learning such transformations for end-to-end anomaly detection on arbitrary data. We find that a contrastive loss - which encourages learning diverse data transformations while preserving the relevant semantic content of the data - is more suitable than previously proposed losses for transformation learning, a fact that we prove theoretically and empirically. We demonstrate that anomaly detection using neural transformation learning can achieve state-of-the-art results for time series data, tabular data, text data and graph data. Furthermore, our approach can make image anomaly detection more interpretable by learning transformations at different levels of abstraction.

Diffusion models suffer from slow sample generation at inference time. Therefore, developing a principled framework for fast deterministic/stochastic sampling for a broader class of diffusion models is a promising direction. We propose two complementary frameworks for accelerating sample generation in pre-trained models: Conjugate Integrators and Splitting Integrators. Conjugate integrators generalize DDIM, mapping the reverse diffusion dynamics to a more amenable space for sampling. In contrast, splitting-based integrators, commonly used in molecular dynamics, reduce the numerical simulation error by cleverly alternating between numerical updates involving the data and auxiliary variables. After extensively studying these methods empirically and theoretically, we present a hybrid method that leads to the best-reported performance for diffusion models in augmented spaces. Applied to Phase Space Langevin Diffusion [Pandey \& Mandt, 2023] on CIFAR-10, our deterministic and stochastic samplers achieve FID scores of 2.11 and 2.36 in only 100 network function evaluations (NFE) as compared to 2.57 and 2.63 for the best-performing baselines, respectively. Our code and model checkpoints will be made publicly available at https://github.com/mandt-lab/PSLD

Selecting informative data points for expert feedback can significantly improve the performance of anomaly detection (AD) in various contexts, such as medical diagnostics or fraud detection. In this paper, we determine a set of theoretical conditions under which anomaly scores generalize from labeled queries to unlabeled data. Motivated by these results, we propose a data labeling strategy with optimal data coverage under labeling budget constraints. In addition, we propose a new learning framework for semi-supervised AD. Extensive experiments on image, tabular, and video data sets show that our approach results in state-of-the-art semi-supervised AD performance under labeling budget constraints.

Anomaly detection (AD) plays a crucial role in many safety-critical application domains. The challenge of adapting an anomaly detector to drift in the normal data distribution, especially when no training data is available for the "new normal," has led to the development of zero-shot AD techniques. In this paper, we propose a simple yet effective method called Adaptive Centered Representations (ACR) for zero-shot batch-level AD. Our approach trains off-the-shelf deep anomaly detectors (such as deep SVDD) to adapt to a set of inter-related training data distributions in combination with batch normalization, enabling automatic zero-shot generalization for unseen AD tasks. This simple recipe, batch normalization plus meta-training, is a highly effective and versatile tool. Our results demonstrate the first zero-shot AD results for tabular data and outperform existing methods in zero-shot anomaly detection and segmentation on image data from specialized domains.

Anomaly detection aims at identifying data points that show systematic deviations from the majority of data in an unlabeled dataset. A common assumption is that clean training data (free of anomalies) is available, which is often violated in practice. We propose a strategy for training an anomaly detector in the presence of unlabeled anomalies that is compatible with a broad class of models. The idea is to jointly infer binary labels to each datum (normal vs. anomalous) while updating the model parameters. Inspired by outlier exposure (Hendrycks et al., 2018) that considers synthetically created, labeled anomalies, we thereby use a combination of two losses that share parameters: one for the normal and one for the anomalous data. We then iteratively proceed with block coordinate updates on the parameters and the most likely (latent) labels. Our experiments with several backbone models on three image datasets, 30 tabular data sets, and a video anomaly detection benchmark showed consistent and significant improvements over the baselines.

Recurrent neural networks (RNNs) are a popular choice for modeling sequential data. Modern RNN architectures assume constant time-intervals between observations. However, in many datasets (e.g. medical records) observation times are irregular and can carry important information. To address this challenge, we propose continuous recurrent units (CRUs) {–} a neural architecture that can naturally handle irregular intervals between observations. The CRU assumes a hidden state, which evolves according to a linear stochastic differential equation and is integrated into an encoder-decoder framework. The recursive computations of the CRU can be derived using the continuous-discrete Kalman filter and are in closed form. The resulting recurrent architecture has temporal continuity between hidden states and a gating mechanism that can optimally integrate noisy observations. We derive an efficient parameterization scheme for the CRU that leads to a fast implementation f-CRU. We empirically study the CRU on a number of challenging datasets and find that it can interpolate irregular time series better than methods based on neural ordinary differential equations.

Graph-level anomaly detection has become a critical topic in diverse areas, such as financial fraud detection and detecting anomalous activities in social networks. While most research has focused on anomaly detection for visual data such as images, where high detection accuracies have been obtained, existing deep learning approaches for graphs currently show considerably worse performance. This paper raises the bar on graph-level anomaly detection, i.e., the task of detecting abnormal graphs in a set of graphs. By drawing on ideas from self-supervised learning and transformation learning, we present a new deep learning approach that significantly improves existing deep one-class approaches by fixing some of their known problems, including hypersphere collapse and performance flip. Experiments on nine real-world data sets involving nine techniques reveal that our method achieves an average performance improvement of 11.8% AUC compared to the best existing approach.

Data transformations (e.g. rotations, reflections, and cropping) play an important role in self-supervised learning. Typically, images are transformed into different views, and neural networks trained on tasks involving these views produce useful feature representations for downstream tasks, including anomaly detection. However, for anomaly detection beyond image data, it is often unclear which transformations to use. Here we present a simple end-to-end procedure for anomaly detection with learnable transformations. The key idea is to embed the transformed data into a semantic space such that the transformed data still resemble their untransformed form, while different transformations are easily distinguishable. Extensive experiments on time series show that our proposed method outperforms existing approaches in the one-vs.-rest setting and is competitive in the more challenging n-vs.-rest anomaly-detection task. On medical and cyber-security tabular data, our method learns domain-specific transformations and detects anomalies more accurately than previous work.

Word embeddings are a powerful approach for unsupervised analysis of language. Recently, Rudolph et al. developed exponential family embeddings, which cast word embeddings in a probabilistic framework. Here, we develop dynamic embeddings, building on exponential family embeddings to capture how the meanings of words change over time. We use dynamic embeddings to analyze three large collections of historical texts: the U.S. Senate speeches from 1858 to 2009, the history of computer science ACM abstracts from 1951 to 2014, and machine learning papers on the ArXiv from 2007 to 2015. We find dynamic embeddings provide better fits than classical embeddings and capture interesting patterns about how language changes.

Word embeddings are a powerful approach for analyzing language, and exponential family embeddings (EFE) extend them to other types of data. Here we develop structured exponential family embeddings (S-EFE), a method for discovering embeddings that vary across related groups of data. We study how the word usage of U.S. Congressional speeches varies across states and party affiliation, how words are used differently across sections of the ArXiv, and how the co-purchase patterns of groceries can vary across seasons. Key to the success of our method is that the groups share statistical information. We develop two sharing strategies: hierarchical modeling and amortization. We demonstrate the benefits of this approach in empirical studies of speeches, abstracts, and shopping baskets. We show how SEFE enables group-specific interpretation of word usage, and outperforms EFE in predicting held-out data.

Word embeddings are a powerful approach to capturing semantic similarity among terms in a vocabulary. In this paper, we develop exponential family embeddings, which extends the idea of word embeddings to other types of high-dimensional data. As examples, we studied several types of data: neural data with real-valued observations, count data from a market basket analysis, and ratings data from a movie recommendation system. The main idea is that each observation is modeled conditioned on a set of latent embeddings and other observations, called the context, where the way the context is defined depends on the problem. In language the context is the surrounding words; in neuroscience the context is close-by neurons; in market basket data the context is other items in the shopping cart. Each instance of an embedding defines the context, the exponential family of conditional distributions, and how the embedding vectors are shared across data. We infer the embeddings with stochastic gradient descent, with an algorithm that connects closely to generalized linear models. On all three of our applications—neural activity of zebrafish, users’ shopping behavior, and movie ratings—we found that exponential family embedding models are more effective than other dimension reduction methods. They better reconstruct held-out data and find interesting qualitative structure.

Many online companies sell advertisement space in second-price auctions with reserve. In this paper, we develop a probabilistic method to learn a profitable strategy to set the reserve price. We use historical auction data with features to fit a predictor of the best reserve price. This problem is delicate - the structure of the auction is such that a reserve price set too high is much worse than a reserve price set too low. To address this we develop objective variables, an approach for combining probabilistic modeling with optimal decision-making. Objective variables are "hallucinated observations" that transform the revenue maximization task into a regularized maximum likelihood estimation problem, which we solve with the EM algorithm. This framework enables a variety of prediction mechanisms to set the reserve price. As examples, we study objective variable methods with regression, kernelized regression, and neural networks on simulated and real data. Our methods outperform previous approaches both in terms of scalability and profit.