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We focus on the problem of producing well-calibrated out-of-distribution (OOD) detectors, in order to enable safe deployment of medical image classifiers. Motivated by the difficulty of curating suitable calibration datasets, synthetic augmentations have become highly prevalent for inlier/outlier specification. While there have been rapid advances in data augmentation techniques, this paper makes a striking finding that the space in which the inliers and outliers are synthesized, in addition to the type of augmentation, plays a critical role in calibrating OOD detectors. Using the popular energy-based OOD detection framework, we find that the optimal protocol is to synthesize latent-space inliers along with diverse pixel-space outliers. Based on empirical studies with multiple medical imaging benchmarks, we demonstrate that our approach consistently leads to superior OOD detection ($15\% - 35\%$ in AUROC) over the state-of-the-art in a variety of open-set recognition settings.

Explanation techniques that synthesize small, interpretable changes to a given image while producing desired changes in the model prediction have become popular for introspecting black-box models. Commonly referred to as counterfactuals, the synthesized explanations are required to contain discernible changes (for easy interpretability) while also being realistic (consistency to the data manifold). In this paper, we focus on the case where we have access only to the trained deep classifier and not the actual training data. While the problem of inverting deep models to synthesize images from the training distribution has been explored, our goal is to develop a deep inversion approach to generate counterfactual explanations for a given query image. Despite their effectiveness in conditional image synthesis, we show that existing deep inversion methods are insufficient for producing meaningful counterfactuals. We propose DISC (Deep Inversion for Synthesizing Counterfactuals) that improves upon deep inversion by utilizing (a) stronger image priors, (b) incorporating a novel manifold consistency objective and (c) adopting a progressive optimization strategy. We find that, in addition to producing visually meaningful explanations, the counterfactuals from DISC are effective at learning classifier decision boundaries and are robust to unknown test-time corruptions., Comment: Neurips 2021

Unsupervised deep learning methods for solving audio restoration problems extensively rely on carefully tailored neural architectures that carry strong inductive biases for defining priors in the time or spectral domain. In this context, lot of recent success has been achieved with sophisticated convolutional network constructions that recover audio signals in the spectral domain. However, in practice, audio priors require careful engineering of the convolutional kernels to be effective at solving ill-posed restoration tasks, while also being easy to train. To this end, in this paper, we propose a new U-Net based prior that does not impact either the network complexity or convergence behavior of existing convolutional architectures, yet leads to significantly improved restoration. In particular, we advocate the use of carefully designed dilation schedules and dense connections in the U-Net architecture to obtain powerful audio priors. Using empirical studies on standard benchmarks and a variety of ill-posed restoration tasks, such as audio denoising, in-painting and source separation, we demonstrate that our proposed approach consistently outperforms widely adopted audio prior architectures.

With increased interest in adopting AI methods for clinical diagnosis, a vital step towards safe deployment of such tools is to ensure that the models not only produce accurate predictions but also do not generalize to data regimes where the training data provide no meaningful evidence. Existing approaches for ensuring the distribution of model predictions to be similar to that of the true distribution rely on explicit uncertainty estimators that are inherently hard to calibrate. In this paper, we propose to train a loss estimator alongside the predictive model, using a contrastive training objective, to directly estimate the prediction uncertainties. Interestingly, we find that, in addition to producing well-calibrated uncertainties, this approach improves the generalization behavior of the predictor. Using a dermatology use-case, we show the impact of loss estimators on model generalization, in terms of both its fidelity on in-distribution data and its ability to detect out of distribution samples or new classes unseen during training.

Through the use of carefully tailored convolutional neural network architectures, a deep image prior (DIP) can be used to obtain pre-images from latent representation encodings. Though DIP inversion has been known to be superior to conventional regularized inversion strategies such as total variation, such an over-parameterized generator is able to effectively reconstruct even images that are not in the original data distribution. This limitation makes it challenging to utilize such priors for tasks such as counterfactual reasoning, wherein the goal is to generate small, interpretable changes to an image that systematically leads to changes in the model prediction. To this end, we propose a novel regularization strategy based on an auxiliary loss estimator jointly trained with the predictor, which efficiently guides the prior to recover natural pre-images. Our empirical studies with a real-world ISIC skin lesion detection problem clearly evidence the effectiveness of the proposed approach in synthesizing meaningful counterfactuals. In comparison, we find that the standard DIP inversion often proposes visually imperceptible perturbations to irrelevant parts of the image, thus providing no additional insights into the model behavior.

Graph Neural Networks (GNNs), a generalization of neural networks to graph-structured data, are often implemented using message passes between entities of a graph. While GNNs are effective for node classification, link prediction and graph classification, they are vulnerable to adversarial attacks, i.e., a small perturbation to the structure can lead to a non-trivial performance degradation. In this work, we propose Uncertainty Matching GNN (UM-GNN), that is aimed at improving the robustness of GNN models, particularly against poisoning attacks to the graph structure, by leveraging epistemic uncertainties from the message passing framework. More specifically, we propose to build a surrogate predictor that does not directly access the graph structure, but systematically extracts reliable knowledge from a standard GNN through a novel uncertainty-matching strategy. Interestingly, this uncoupling makes UM-GNN immune to evasion attacks by design, and achieves significantly improved robustness against poisoning attacks. Using empirical studies with standard benchmarks and a suite of global and target attacks, we demonstrate the effectiveness of UM-GNN, when compared to existing baselines including the state-of-the-art robust GCN.

With increasing reliance on the outcomes of black-box models in critical applications, post-hoc explainability tools that do not require access to the model internals are often used to enable humans understand and trust these models. In particular, we focus on the class of methods that can reveal the influence of input features on the predicted outputs. Despite their wide-spread adoption, existing methods are known to suffer from one or more of the following challenges: computational complexities, large uncertainties and most importantly, inability to handle real-world domain shifts. In this paper, we propose PRoFILE, a novel feature importance estimation method that addresses all these challenges. Through the use of a loss estimator jointly trained with the predictive model and a causal objective, PRoFILE can accurately estimate the feature importance scores even under complex distribution shifts, without any additional re-training. To this end, we also develop learning strategies for training the loss estimator, namely contrastive and dropout calibration, and find that it can effectively detect distribution shifts. Using empirical studies on several benchmark image and non-image data, we show significant improvements over state-of-the-art approaches, both in terms of fidelity and robustness.

Modern audio source separation techniques rely on optimizing sequence model architectures such as, 1D-CNNs, on mixture recordings to generalize well to unseen mixtures. Specifically, recent focus is on time-domain based architectures such as Wave-U-Net which exploit temporal context by extracting multi-scale features. However, the optimality of the feature extraction process in these architectures has not been well investigated. In this paper, we examine and recommend critical architectural changes that forge an optimal multi-scale feature extraction process. To this end, we replace regular $1-$D convolutions with adaptive dilated convolutions that have innate capability of capturing increased context by using large temporal receptive fields. We also investigate the impact of dense connections on the extraction process that encourage feature reuse and better gradient flow. The dense connections between the downsampling and upsampling paths of a U-Net architecture capture multi-resolution information leading to improved temporal modelling. We evaluate the proposed approaches on the MUSDB test dataset. In addition to providing an improved performance over the state-of-the-art, we also provide insights on the impact of different architectural choices on complex data-driven solutions for source separation.

State-of-the-art speaker diarization systems utilize knowledge from external data, in the form of a pre-trained distance metric, to effectively determine relative speaker identities to unseen data. However, much of recent focus has been on choosing the appropriate feature extractor, ranging from pre-trained $i-$vectors to representations learned via different sequence modeling architectures (e.g. 1D-CNNs, LSTMs, attention models), while adopting off-the-shelf metric learning solutions. In this paper, we argue that, regardless of the feature extractor, it is crucial to carefully design a metric learning pipeline, namely the loss function, the sampling strategy and the discrimnative margin parameter, for building robust diarization systems. Furthermore, we propose to adopt a fine-grained validation process to obtain a comprehensive evaluation of the generalization power of metric learning pipelines. To this end, we measure diarization performance across different language speakers, and variations in the number of speakers in a recording. Using empirical studies, we provide interesting insights into the effectiveness of different design choices and make recommendations.

Machine learning models that can exploit the inherent structure in data have gained prominence. In particular, there is a surge in deep learning solutions for graph-structured data, due to its wide-spread applicability in several fields. Graph attention networks (GAT), a recent addition to the broad class of feature learning models in graphs, utilizes the attention mechanism to efficiently learn continuous vector representations for semi-supervised learning problems. In this paper, we perform a detailed analysis of GAT models, and present interesting insights into their behavior. In particular, we show that the models are vulnerable to heterogeneous rogue nodes and hence propose novel regularization strategies to improve the robustness of GAT models. Using benchmark datasets, we demonstrate performance improvements on semi-supervised learning, using the proposed robust variant of GAT.

Modern data analysis pipelines are becoming increasingly complex due to the presence of multi-view information sources. While graphs are effective in modeling complex relationships, in many scenarios a single graph is rarely sufficient to succinctly represent all interactions, and hence multi-layered graphs have become popular. Though this leads to richer representations, extending solutions from the single-graph case is not straightforward. Consequently, there is a strong need for novel solutions to solve classical problems, such as node classification, in the multi-layered case. In this paper, we consider the problem of semi-supervised learning with multi-layered graphs. Though deep network embeddings, e.g. DeepWalk, are widely adopted for community discovery, we argue that feature learning with random node attributes, using graph neural networks, can be more effective. To this end, we propose to use attention models for effective feature learning, and develop two novel architectures, GrAMME-SG and GrAMME-Fusion, that exploit the inter-layer dependencies for building multi-layered graph embeddings. Using empirical studies on several benchmark datasets, we evaluate the proposed approaches and demonstrate significant performance improvements in comparison to state-of-the-art network embedding strategies. The results also show that using simple random features is an effective choice, even in cases where explicit node attributes are not available.

Sampling one or more effective solutions from large search spaces is a recurring idea in machine learning, and sequential optimization has become a popular solution. Typical examples include data summarization, sample mining for predictive modeling and hyper-parameter optimization. Existing solutions attempt to adaptively trade-off between global exploration and local exploitation, wherein the initial exploratory sample is critical to their success. While discrepancy-based samples have become the de facto approach for exploration, results from computer graphics suggest that coverage-based designs, e.g. Poisson disk sampling, can be a superior alternative. In order to successfully adopt coverage-based sample designs to ML applications, which were originally developed for 2-d image analysis, we propose fundamental advances by constructing a parameterized family of designs with provably improved coverage characteristics, and by developing algorithms for effective sample synthesis. Using experiments in sample mining and hyper-parameter optimization for supervised learning, we show that our approach consistently outperforms existing exploratory sampling methods in both blind exploration, and sequential search with Bayesian optimization.

In automatic speech processing systems, speaker diarization is a crucial front-end component to separate segments from different speakers. Inspired by the recent success of deep neural networks (DNNs) in semantic inferencing, triplet loss-based architectures have been successfully used for this problem. However, existing work utilizes conventional i-vectors as the input representation and builds simple fully connected networks for metric learning, thus not fully leveraging the modeling power of DNN architectures. This paper investigates the importance of learning effective representations from the sequences directly in metric learning pipelines for speaker diarization. More specifically, we propose to employ attention models to learn embeddings and the metric jointly in an end-to-end fashion. Experiments are conducted on the CALLHOME conversational speech corpus. The diarization results demonstrate that, besides providing a unified model, the proposed approach achieves improved performance when compared against existing approaches., Comment: Interspeech2018

With widespread adoption of electronic health records, there is an increased emphasis for predictive models that can effectively deal with clinical time-series data. Powered by Recurrent Neural Network (RNN) architectures with Long Short-Term Memory (LSTM) units, deep neural networks have achieved state-of-the-art results in several clinical prediction tasks. Despite the success of RNNs, its sequential nature prohibits parallelized computing, thus making it inefficient particularly when processing long sequences. Recently, architectures which are based solely on attention mechanisms have shown remarkable success in transduction tasks in NLP, while being computationally superior. In this paper, for the first time, we utilize attention models for clinical time-series modeling, thereby dispensing recurrence entirely. We develop the \textit{SAnD} (Simply Attend and Diagnose) architecture, which employs a masked, self-attention mechanism, and uses positional encoding and dense interpolation strategies for incorporating temporal order. Furthermore, we develop a multi-task variant of \textit{SAnD} to jointly infer models with multiple diagnosis tasks. Using the recent MIMIC-III benchmark datasets, we demonstrate that the proposed approach achieves state-of-the-art performance in all tasks, outperforming LSTM models and classical baselines with hand-engineered features., Comment: AAAI 2018