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The performance of deep models, including Vision Transformers, is known to be vulnerable to adversarial attacks. Many existing defenses against these attacks, such as adversarial training, rely on full-model fine-tuning to induce robustness in the models. These defenses require storing a copy of the entire model, that can have billions of parameters, for each task. At the same time, parameter-efficient prompt tuning is used to adapt large transformer-based models to downstream tasks without the need to save large copies. In this paper, we examine parameter-efficient prompt tuning of Vision Transformers for downstream tasks under the lens of robustness. We show that previous adversarial defense methods, when applied to the prompt tuning paradigm, suffer from gradient obfuscation and are vulnerable to adaptive attacks. We introduce ADAPT, a novel framework for performing adaptive adversarial training in the prompt tuning paradigm. Our method achieves competitive robust accuracy of ~40% w.r.t. SOTA robustness methods using full-model fine-tuning, by tuning only ~1% of the number of parameters.

Several recent methods for interpretability model feature interactions by looking at the Hessian of a neural network. This poses a challenge for ReLU networks, which are piecewise-linear and thus have a zero Hessian almost everywhere. We propose SmoothHess, a method of estimating second-order interactions through Stein's Lemma. In particular, we estimate the Hessian of the network convolved with a Gaussian through an efficient sampling algorithm, requiring only network gradient calls. SmoothHess is applied post-hoc, requires no modifications to the ReLU network architecture, and the extent of smoothing can be controlled explicitly. We provide a non-asymptotic bound on the sample complexity of our estimation procedure. We validate the superior ability of SmoothHess to capture interactions on benchmark datasets and a real-world medical spirometry dataset., Comment: Accepted to NeurIPS 2023 as a conference paper

Creating a digital world that closely mimics the real world with its many complex interactions and outcomes is possible today through advanced emulation software and ubiquitous computing power. Such a software-based emulation of an entity that exists in the real world is called a 'digital twin'. In this paper, we consider a twin of a wireless millimeter-wave band radio that is mounted on a vehicle and show how it speeds up directional beam selection in mobile environments. To achieve this, we go beyond instantiating a single twin and propose the 'Multiverse' paradigm, with several possible digital twins attempting to capture the real world at different levels of fidelity. Towards this goal, this paper describes (i) a decision strategy at the vehicle that determines which twin must be used given the computational and latency limitations, and (ii) a self-learning scheme that uses the Multiverse-guided beam outcomes to enhance DL-based decision-making in the real world over time. Our work is distinguished from prior works as follows: First, we use a publicly available RF dataset collected from an autonomous car for creating different twins. Second, we present a framework with continuous interaction between the real world and Multiverse of twins at the edge, as opposed to a one-time emulation that is completed prior to actual deployment. Results reveal that Multiverse offers up to 79.43% and 85.22% top-10 beam selection accuracy for LOS and NLOS scenarios, respectively. Moreover, we observe 52.72-85.07% improvement in beam selection time compared to 802.11ad standard.

Rehearsal-based approaches are a mainstay of continual learning (CL). They mitigate the catastrophic forgetting problem by maintaining a small fixed-size buffer with a subset of data from past tasks. While most rehearsal-based approaches study how to effectively exploit the knowledge from the buffered past data, little attention is paid to the inter-task relationships with the critical task-specific and task-invariant knowledge. By appropriately leveraging inter-task relationships, we propose a novel CL method named DualHSIC to boost the performance of existing rehearsal-based methods in a simple yet effective way. DualHSIC consists of two complementary components that stem from the so-called Hilbert Schmidt independence criterion (HSIC): HSIC-Bottleneck for Rehearsal (HBR) lessens the inter-task interference and HSIC Alignment (HA) promotes task-invariant knowledge sharing. Extensive experiments show that DualHSIC can be seamlessly plugged into existing rehearsal-based methods for consistent performance improvements, and also outperforms recent state-of-the-art regularization-enhanced rehearsal methods. Source code will be released., Comment: Accepted at ICML 2023 as a conference paper

As machine learning algorithms are deployed ubiquitously to a variety of domains, it is imperative to make these often black-box models transparent. Several recent works explain black-box models by capturing the most influential features for prediction per instance; such explanation methods are univariate, as they characterize importance per feature. We extend univariate explanation to a higher-order; this enhances explainability, as bivariate methods can capture feature interactions in black-box models, represented as a directed graph. Analyzing this graph enables us to discover groups of features that are equally important (i.e., interchangeable), while the notion of directionality allows us to identify the most influential features. We apply our bivariate method on Shapley value explanations, and experimentally demonstrate the ability of directional explanations to discover feature interactions. We show the superiority of our method against state-of-the-art on CIFAR10, IMDB, Census, Divorce, Drug, and gene data.

In this work, we look at Score-based generative models (also called diffusion generative models) from a geometric perspective. From a new view point, we prove that both the forward and backward process of adding noise and generating from noise are Wasserstein gradient flow in the space of probability measures. We are the first to prove this connection. Our understanding of Score-based (and Diffusion) generative models have matured and become more complete by drawing ideas from different fields like Bayesian inference, control theory, stochastic differential equation and Schrodinger bridge. However, many open questions and challenges remain. One problem, for example, is how to decrease the sampling time? We demonstrate that looking from geometric perspective enables us to answer many of these questions and provide new interpretations to some known results. Furthermore, geometric perspective enables us to devise an intuitive geometric solution to the problem of faster sampling. By augmenting traditional score-based generative models with a projection step, we show that we can generate high quality images with significantly fewer sampling-steps.

While score based generative models, or diffusion models, have found success in image synthesis, they are often coupled with text data or image label to be able to manipulate and conditionally generate images. Even though manipulation of images by changing the text prompt is possible, our understanding of the text embedding and our ability to modify it to edit images is quite limited. Towards the direction of having more control over image manipulation and conditional generation, we propose to learn image components in an unsupervised manner so that we can compose those components to generate and manipulate images in informed manner. Taking inspiration from energy based models, we interpret different score components as the gradient of different energy functions. We show how score based learning allows us to learn interesting components and we can visualize them through generation. We also show how this novel decomposition allows us to compose, generate and modify images in interesting ways akin to dreaming. We make our code available at https://github.com/sandeshgh/Score-based-disentanglement

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours to compute from first principles. Since the necessary number of data points per simulation is on the order of $10^9$ - $10^{12}$, machine learning regressors can be used in place of physics simulators to significantly reduce this computational burden. However, this task requires high-precision regressors that can deliver data with relative errors of less than $1\%$ or even $0.1\%$ over the entire domain of the function. In this paper, we develop optimal training strategies and tune various machine learning regressors to satisfy the high-precision requirement. We leverage symmetry arguments from particle physics to optimize the performance of the regressors. Inspired by ResNets, we design a Deep Neural Network with skip connections that outperform fully connected Deep Neural Networks. We find that at lower dimensions, boosted decision trees far outperform neural networks while at higher dimensions neural networks perform significantly better. We show that these regressors can speed up simulations by a factor of $10^3$ - $10^6$ over the first-principles computations currently used in Monte Carlo simulations. Additionally, using symmetry arguments derived from particle physics, we reduce the number of regressors necessary for each simulation by an order of magnitude. Our work can significantly reduce the training and storage burden of Monte Carlo simulations at current and future collider experiments., Comment: 15 pages, 7 figure and 2 tables

Adversarial attacks hamper the decision-making ability of neural networks by perturbing the input signal. The addition of calculated small distortion to images, for instance, can deceive a well-trained image classification network. In this work, we propose a novel attack technique called Sparse Adversarial and Interpretable Attack Framework (SAIF). Specifically, we design imperceptible attacks that contain low-magnitude perturbations at a small number of pixels and leverage these sparse attacks to reveal the vulnerability of classifiers. We use the Frank-Wolfe (conditional gradient) algorithm to simultaneously optimize the attack perturbations for bounded magnitude and sparsity with $O(1/\sqrt{T})$ convergence. Empirical results show that SAIF computes highly imperceptible and interpretable adversarial examples, and outperforms state-of-the-art sparse attack methods on the ImageNet dataset.

Zero-shot transfer learning for document understanding is a crucial yet under-investigated scenario to help reduce the high cost involved in annotating document entities. We present a novel query-based framework, QueryForm, that extracts entity values from form-like documents in a zero-shot fashion. QueryForm contains a dual prompting mechanism that composes both the document schema and a specific entity type into a query, which is used to prompt a Transformer model to perform a single entity extraction task. Furthermore, we propose to leverage large-scale query-entity pairs generated from form-like webpages with weak HTML annotations to pre-train QueryForm. By unifying pre-training and fine-tuning into the same query-based framework, QueryForm enables models to learn from structured documents containing various entities and layouts, leading to better generalization to target document types without the need for target-specific training data. QueryForm sets new state-of-the-art average F1 score on both the XFUND (+4.6%~10.1%) and the Payment (+3.2%~9.5%) zero-shot benchmark, with a smaller model size and no additional image input., Comment: Accepted to Findings of ACL 2023

Adversarial pruning compresses models while preserving robustness. Current methods require access to adversarial examples during pruning. This significantly hampers training efficiency. Moreover, as new adversarial attacks and training methods develop at a rapid rate, adversarial pruning methods need to be modified accordingly to keep up. In this work, we propose a novel framework to prune a previously trained robust neural network while maintaining adversarial robustness, without further generating adversarial examples. We leverage concurrent self-distillation and pruning to preserve knowledge in the original model as well as regularizing the pruned model via the Hilbert-Schmidt Information Bottleneck. We comprehensively evaluate our proposed framework and show its superior performance in terms of both adversarial robustness and efficiency when pruning architectures trained on the MNIST, CIFAR-10, and CIFAR-100 datasets against five state-of-the-art attacks. Code is available at https://github.com/neu-spiral/PwoA/., Comment: Published at ICDM 2022 as a conference paper

Post-hoc explanation methods have become a critical tool for understanding black-box classifiers in high-stakes applications. However, high-performing classifiers are often highly nonlinear and can exhibit complex behavior around the decision boundary, leading to brittle or misleading local explanations. Therefore there is an impending need to quantify the uncertainty of such explanation methods in order to understand when explanations are trustworthy. In this work we propose the Gaussian Process Explanation UnCertainty (GPEC) framework, which generates a unified uncertainty estimate combining decision boundary-aware uncertainty with explanation function approximation uncertainty. We introduce a novel geodesic-based kernel, which captures the complexity of the target black-box decision boundary. We show theoretically that the proposed kernel similarity increases with decision boundary complexity. The proposed framework is highly flexible; it can be used with any black-box classifier and feature attribution method. Empirical results on multiple tabular and image datasets show that the GPEC uncertainty estimate improves understanding of explanations as compared to existing methods., Comment: Proceedings of the 27th International Conference on Artificial Intelligence and Statistics (AISTATS) 2024

Existing work in continual learning (CL) focuses on mitigating catastrophic forgetting, i.e., model performance deterioration on past tasks when learning a new task. However, the training efficiency of a CL system is under-investigated, which limits the real-world application of CL systems under resource-limited scenarios. In this work, we propose a novel framework called Sparse Continual Learning(SparCL), which is the first study that leverages sparsity to enable cost-effective continual learning on edge devices. SparCL achieves both training acceleration and accuracy preservation through the synergy of three aspects: weight sparsity, data efficiency, and gradient sparsity. Specifically, we propose task-aware dynamic masking (TDM) to learn a sparse network throughout the entire CL process, dynamic data removal (DDR) to remove less informative training data, and dynamic gradient masking (DGM) to sparsify the gradient updates. Each of them not only improves efficiency, but also further mitigates catastrophic forgetting. SparCL consistently improves the training efficiency of existing state-of-the-art (SOTA) CL methods by at most 23X less training FLOPs, and, surprisingly, further improves the SOTA accuracy by at most 1.7%. SparCL also outperforms competitive baselines obtained from adapting SOTA sparse training methods to the CL setting in both efficiency and accuracy. We also evaluate the effectiveness of SparCL on a real mobile phone, further indicating the practical potential of our method., Comment: Published at NeurIPS 2022 as a conference paper

Machine learning methods have significantly improved in their predictive capabilities, but at the same time they are becoming more complex and less transparent. As a result, explainers are often relied on to provide interpretability to these black-box prediction models. As crucial diagnostics tools, it is important that these explainers themselves are robust. In this paper we focus on one particular aspect of robustness, namely that an explainer should give similar explanations for similar data inputs. We formalize this notion by introducing and defining explainer astuteness, analogous to astuteness of prediction functions. Our formalism allows us to connect explainer robustness to the predictor's probabilistic Lipschitzness, which captures the probability of local smoothness of a function. We provide lower bound guarantees on the astuteness of a variety of explainers (e.g., SHAP, RISE, CXPlain) given the Lipschitzness of the prediction function. These theoretical results imply that locally smooth prediction functions lend themselves to locally robust explanations. We evaluate these results empirically on simulated as well as real datasets.

Continual learning aims to enable a single model to learn a sequence of tasks without catastrophic forgetting. Top-performing methods usually require a rehearsal buffer to store past pristine examples for experience replay, which, however, limits their practical value due to privacy and memory constraints. In this work, we present a simple yet effective framework, DualPrompt, which learns a tiny set of parameters, called prompts, to properly instruct a pre-trained model to learn tasks arriving sequentially without buffering past examples. DualPrompt presents a novel approach to attach complementary prompts to the pre-trained backbone, and then formulates the objective as learning task-invariant and task-specific "instructions". With extensive experimental validation, DualPrompt consistently sets state-of-the-art performance under the challenging class-incremental setting. In particular, DualPrompt outperforms recent advanced continual learning methods with relatively large buffer sizes. We also introduce a more challenging benchmark, Split ImageNet-R, to help generalize rehearsal-free continual learning research. Source code is available at https://github.com/google-research/l2p., Comment: Published at ECCV 2022 as a conference paper

There is currently a debate within the neuroscience community over the likelihood of the brain performing backpropagation (BP). To better mimic the brain, training a network \textit{one layer at a time} with only a "single forward pass" has been proposed as an alternative to bypass BP; we refer to these networks as "layer-wise" networks. We continue the work on layer-wise networks by answering two outstanding questions. First, $\textit{do they have a closed-form solution?}$ Second, $\textit{how do we know when to stop adding more layers?}$ This work proves that the Kernel Mean Embedding is the closed-form weight that achieves the network global optimum while driving these networks to converge towards a highly desirable kernel for classification; we call it the $\textit{Neural Indicator Kernel}$., Comment: Since this version is similar to an older version, I should have updated the older version instead of creating a new version. I will now retract this version, and update a previous version to this. See arXiv:2006.08539

Beam selection for millimeter-wave links in a vehicular scenario is a challenging problem, as an exhaustive search among all candidate beam pairs cannot be assuredly completed within short contact times. We solve this problem via a novel expediting beam selection by leveraging multimodal data collected from sensors like LiDAR, camera images, and GPS. We propose individual modality and distributed fusion-based deep learning (F-DL) architectures that can execute locally as well as at a mobile edge computing center (MEC), with a study on associated tradeoffs. We also formulate and solve an optimization problem that considers practical beam-searching, MEC processing and sensor-to-MEC data delivery latency overheads for determining the output dimensions of the above F-DL architectures. Results from extensive evaluations conducted on publicly available synthetic and home-grown real-world datasets reveal 95% and 96% improvement in beam selection speed over classical RF-only beam sweeping, respectively. F-DL also outperforms the state-of-the-art techniques by 20-22% in predicting top-10 best beam pairs., Comment: 16 pages

The El Ni\~no Southern Oscillation (ENSO) is a semi-periodic fluctuation in sea surface temperature (SST) over the tropical central and eastern Pacific Ocean that influences interannual variability in regional hydrology across the world through long-range dependence or teleconnections. Recent research has demonstrated the value of Deep Learning (DL) methods for improving ENSO prediction as well as Complex Networks (CN) for understanding teleconnections. However, gaps in predictive understanding of ENSO-driven river flows include the black box nature of DL, the use of simple ENSO indices to describe a complex phenomenon and translating DL-based ENSO predictions to river flow predictions. Here we show that eXplainable DL (XDL) methods, based on saliency maps, can extract interpretable predictive information contained in global SST and discover SST information regions and dependence structures relevant for river flows which, in tandem with climate network constructions, enable improved predictive understanding. Our results reveal additional information content in global SST beyond ENSO indices, develop understanding of how SSTs influence river flows, and generate improved river flow prediction, including uncertainty estimation. Observations, reanalysis data, and earth system model simulations are used to demonstrate the value of the XDL-CN based methods for future interannual and decadal scale climate projections.

The mainstream paradigm behind continual learning has been to adapt the model parameters to non-stationary data distributions, where catastrophic forgetting is the central challenge. Typical methods rely on a rehearsal buffer or known task identity at test time to retrieve learned knowledge and address forgetting, while this work presents a new paradigm for continual learning that aims to train a more succinct memory system without accessing task identity at test time. Our method learns to dynamically prompt (L2P) a pre-trained model to learn tasks sequentially under different task transitions. In our proposed framework, prompts are small learnable parameters, which are maintained in a memory space. The objective is to optimize prompts to instruct the model prediction and explicitly manage task-invariant and task-specific knowledge while maintaining model plasticity. We conduct comprehensive experiments under popular image classification benchmarks with different challenging continual learning settings, where L2P consistently outperforms prior state-of-the-art methods. Surprisingly, L2P achieves competitive results against rehearsal-based methods even without a rehearsal buffer and is directly applicable to challenging task-agnostic continual learning. Source code is available at https://github.com/google-research/l2p., Comment: Published at CVPR 2022 as a conference paper

There are limited works showing the efficacy of unsupervised Out-of-Distribution (OOD) methods on complex medical data. Here, we present preliminary findings of our unsupervised OOD detection algorithm, SimCLR-LOF, as well as a recent state of the art approach (SSD), applied on medical images. SimCLR-LOF learns semantically meaningful features using SimCLR and uses LOF for scoring if a test sample is OOD. We evaluated on the multi-source International Skin Imaging Collaboration (ISIC) 2019 dataset, and show results that are competitive with SSD as well as with recent supervised approaches applied on the same data., Comment: NeurIPS: Medical Imaging Meets NeurIPS Workshop

Estimating Kullback Leibler (KL) divergence from samples of two distributions is essential in many machine learning problems. Variational methods using neural network discriminator have been proposed to achieve this task in a scalable manner. However, we noted that most of these methods using neural network discriminators suffer from high fluctuations (variance) in estimates and instability in training. In this paper, we look at this issue from statistical learning theory and function space complexity perspective to understand why this happens and how to solve it. We argue that the cause of these pathologies is lack of control over the complexity of the neural network discriminator function and could be mitigated by controlling it. To achieve this objective, we 1) present a novel construction of the discriminator in the Reproducing Kernel Hilbert Space (RKHS), 2) theoretically relate the error probability bound of the KL estimates to the complexity of the discriminator in the RKHS space, 3) present a scalable way to control the complexity (RKHS norm) of the discriminator for a reliable estimation of KL divergence, and 4) prove the consistency of the proposed estimator. In three different applications of KL divergence : estimation of KL, estimation of mutual information and Variational Bayes, we show that by controlling the complexity as developed in the theory, we are able to reduce the variance of KL estimates and stabilize the training, Comment: 27 pages, 3 figures. arXiv admin note: text overlap with arXiv:2002.11187

Lifelong Learning (LL) refers to the ability to continually learn and solve new problems with incremental available information over time while retaining previous knowledge. Much attention has been given lately to Supervised Lifelong Learning (SLL) with a stream of labelled data. In contrast, we focus on resolving challenges in Unsupervised Lifelong Learning (ULL) with streaming unlabelled data when the data distribution and the unknown class labels evolve over time. Bayesian framework is natural to incorporate past knowledge and sequentially update the belief with new data. We develop a fully Bayesian inference framework for ULL with a novel end-to-end Deep Bayesian Unsupervised Lifelong Learning (DBULL) algorithm, which can progressively discover new clusters without forgetting the past with unlabelled data while learning latent representations. To efficiently maintain past knowledge, we develop a novel knowledge preservation mechanism via sufficient statistics of the latent representation for raw data. To detect the potential new clusters on the fly, we develop an automatic cluster discovery and redundancy removal strategy in our inference inspired by Nonparametric Bayesian statistics techniques. We demonstrate the effectiveness of our approach using image and text corpora benchmark datasets in both LL and batch settings.

We investigate the HSIC (Hilbert-Schmidt independence criterion) bottleneck as a regularizer for learning an adversarially robust deep neural network classifier. In addition to the usual cross-entropy loss, we add regularization terms for every intermediate layer to ensure that the latent representations retain useful information for output prediction while reducing redundant information. We show that the HSIC bottleneck enhances robustness to adversarial attacks both theoretically and experimentally. In particular, we prove that the HSIC bottleneck regularizer reduces the sensitivity of the classifier to adversarial examples. Our experiments on multiple benchmark datasets and architectures demonstrate that incorporating an HSIC bottleneck regularizer attains competitive natural accuracy and improves adversarial robustness, both with and without adversarial examples during training. Our code and adversarially robust models are publicly available., Comment: Published as a conference paper at NeurIPS 2021

We consider a rank regression setting, in which a dataset of $N$ samples with features in $\mathbb{R}^d$ is ranked by an oracle via $M$ pairwise comparisons. Specifically, there exists a latent total ordering of the samples; when presented with a pair of samples, a noisy oracle identifies the one ranked higher with respect to the underlying total ordering. A learner observes a dataset of such comparisons and wishes to regress sample ranks from their features. We show that to learn the model parameters with $\epsilon > 0$ accuracy, it suffices to conduct $M \in \Omega(dN\log^3 N/\epsilon^2)$ comparisons uniformly at random when $N$ is $\Omega(d/\epsilon^2)$.

Perfect alignment in chosen beam sectors at both transmit- and receive-nodes is required for beamforming in mmWave bands. Current 802.11ad WiFi and emerging 5G cellular standards spend up to several milliseconds exploring different sector combinations to identify the beam pair with the highest SNR. In this paper, we propose a machine learning (ML) approach with two sequential convolutional neural networks (CNN) that uses out-of-band information, in the form of camera images, to (i) rapidly identify the locations of the transmitter and receiver nodes, and then (ii) return the optimal beam pair. We experimentally validate this intriguing concept for indoor settings using the NI 60GHz mmwave transceiver. Our results reveal that our ML approach reduces beamforming related exploration time by 93% under different ambient lighting conditions, with an error of less than 1% compared to the time-intensive deterministic method defined by the current standards.

We study an Open-World Class Discovery problem in which, given labeled training samples from old classes, we need to discover new classes from unlabeled test samples. There are two critical challenges to addressing this paradigm: (a) transferring knowledge from old to new classes, and (b) incorporating knowledge learned from new classes back to the original model. We propose Class Discovery Kernel Network with Expansion (CD-KNet-Exp), a deep learning framework, which utilizes the Hilbert Schmidt Independence Criterion to bridge supervised and unsupervised information together in a systematic way, such that the learned knowledge from old classes is distilled appropriately for discovering new classes. Compared to competing methods, CD-KNet-Exp shows superior performance on three publicly available benchmark datasets and a challenging real-world radio frequency fingerprinting dataset., Comment: Accepted to the IEEE International Conference on Data Mining 2020 (ICDM'20); Best paper candidate

In lifelong learning, we wish to maintain and update a model (e.g., a neural network classifier) in the presence of new classification tasks that arrive sequentially. In this paper, we propose a learn-prune-share (LPS) algorithm which addresses the challenges of catastrophic forgetting, parsimony, and knowledge reuse simultaneously. LPS splits the network into task-specific partitions via an ADMM-based pruning strategy. This leads to no forgetting, while maintaining parsimony. Moreover, LPS integrates a novel selective knowledge sharing scheme into this ADMM optimization framework. This enables adaptive knowledge sharing in an end-to-end fashion. Comprehensive experimental results on two lifelong learning benchmark datasets and a challenging real-world radio frequency fingerprinting dataset are provided to demonstrate the effectiveness of our approach. Our experiments show that LPS consistently outperforms multiple state-of-the-art competitors., Comment: Accepted to the IEEE International Conference on Data Mining 2020 (ICDM'20)

We propose a greedy strategy to spectrally train a deep network for multi-class classification. Each layer is defined as a composition of linear weights with the feature map of a Gaussian kernel acting as the activation function. At each layer, the linear weights are learned by maximizing the dependence between the layer output and the labels using the Hilbert Schmidt Independence Criterion (HSIC). By constraining the solution space on the Stiefel Manifold, we demonstrate how our network construct (Kernel Dependence Network or KNet) can be solved spectrally while leveraging the eigenvalues to automatically find the width and the depth of the network. We theoretically guarantee the existence of a solution for the global optimum while providing insight into our network's ability to generalize., Comment: arXiv admin note: substantial text overlap with arXiv:2006.08539

In this paper, we propose Ensemble Learning models to identify factors contributing to preterm birth. Our work leverages a rich dataset collected by a NIEHS P42 Center that is trying to identify the dominant factors responsible for the high rate of premature births in northern Puerto Rico. We investigate analytical models addressing two major challenges present in the dataset: 1) the significant amount of incomplete data in the dataset, and 2) class imbalance in the dataset. First, we leverage and compare two types of missing data imputation methods: 1) mean-based and 2) similarity-based, increasing the completeness of this dataset. Second, we propose a feature selection and evaluation model based on using undersampling with Ensemble Learning to address class imbalance present in the dataset. We leverage and compare multiple Ensemble Feature selection methods, including Complete Linear Aggregation (CLA), Weighted Mean Aggregation (WMA), Feature Occurrence Frequency (OFA), and Classification Accuracy Based Aggregation (CAA). To further address missing data present in each feature, we propose two novel methods: 1) Missing Data Rate and Accuracy Based Aggregation (MAA), and 2) Entropy and Accuracy Based Aggregation (EAA). Both proposed models balance the degree of data variance introduced by the missing data handling during the feature selection process while maintaining model performance. Our results show a 42\% improvement in sensitivity versus fallout over previous state-of-the-art methods.

There is currently a debate within the neuroscience community over the likelihood of the brain performing backpropagation (BP). To better mimic the brain, training a network $\textit{one layer at a time}$ with only a "single forward pass" has been proposed as an alternative to bypass BP; we refer to these networks as "layer-wise" networks. We continue the work on layer-wise networks by answering two outstanding questions. First, $\textit{do they have a closed-form solution?}$ Second, $\textit{how do we know when to stop adding more layers?}$ This work proves that the kernel Mean Embedding is the closed-form weight that achieves the network global optimum while driving these networks to converge towards a highly desirable kernel for classification; we call it the $\textit{Neural Indicator Kernel}$., Comment: This version will be published in AIStats 2022

We introduce deep Markov spatio-temporal factorization (DMSTF), a generative model for dynamical analysis of spatio-temporal data. Like other factor analysis methods, DMSTF approximates high dimensional data by a product between time dependent weights and spatially dependent factors. These weights and factors are in turn represented in terms of lower dimensional latents inferred using stochastic variational inference. The innovation in DMSTF is that we parameterize weights in terms of a deep Markovian prior extendable with a discrete latent, which is able to characterize nonlinear multimodal temporal dynamics, and perform multidimensional time series forecasting. DMSTF learns a low dimensional spatial latent to generatively parameterize spatial factors or their functional forms in order to accommodate high spatial dimensionality. We parameterize the corresponding variational distribution using a bidirectional recurrent network in the low-level latent representations. This results in a flexible family of hierarchical deep generative factor analysis models that can be extended to perform time series clustering or perform factor analysis in the presence of a control signal. Our experiments, which include simulated and real-world data, demonstrate that DMSTF outperforms related methodologies in terms of predictive performance for unseen data, reveals meaningful clusters in the data, and performs forecasting in a variety of domains with potentially nonlinear temporal transitions.

Many contemporary machine learning models require extensive tuning of hyperparameters to perform well. A variety of methods, such as Bayesian optimization, have been developed to automate and expedite this process. However, tuning remains extremely costly as it typically requires repeatedly fully training models. We propose to accelerate the Bayesian optimization approach to hyperparameter tuning for neural networks by taking into account the relative amount of information contributed by each training example. To do so, we leverage importance sampling (IS); this significantly increases the quality of the black-box function evaluations, but also their runtime, and so must be done carefully. Casting hyperparameter search as a multi-task Bayesian optimization problem over both hyperparameters and importance sampling design achieves the best of both worlds: by learning a parameterization of IS that trades-off evaluation complexity and quality, we improve upon Bayesian optimization state-of-the-art runtime and final validation error across a variety of datasets and complex neural architectures.

In-vivo optical microscopy is advancing into routine clinical practice for non-invasively guiding diagnosis and treatment of cancer and other diseases, and thus beginning to reduce the need for traditional biopsy. However, reading and analysis of the optical microscopic images are generally still qualitative, relying mainly on visual examination. Here we present an automated semantic segmentation method called "Multiscale Encoder-Decoder Network (MED-Net)" that provides pixel-wise labeling into classes of patterns in a quantitative manner. The novelty in our approach is the modeling of textural patterns at multiple scales. This mimics the procedure for examining pathology images, which routinely starts with low magnification (low resolution, large field of view) followed by closer inspection of suspicious areas with higher magnification (higher resolution, smaller fields of view). We trained and tested our model on non-overlapping partitions of 117 reflectance confocal microscopy (RCM) mosaics of melanocytic lesions, an extensive dataset for this application, collected at four clinics in the US, and two in Italy. With patient-wise cross-validation, we achieved pixel-wise mean sensitivity and specificity of $70\pm11\%$ and $95\pm2\%$, respectively, with $0.71\pm0.09$ Dice coefficient over six classes. In the scenario, we partitioned the data clinic-wise and tested the generalizability of the model over multiple clinics. In this setting, we achieved pixel-wise mean sensitivity and specificity of $74\%$ and $95\%$, respectively, with $0.75$ Dice coefficient. We compared MED-Net against the state-of-the-art semantic segmentation models and achieved better quantitative segmentation performance. Our results also suggest that, due to its nested multiscale architecture, the MED-Net model annotated RCM mosaics more coherently, avoiding unrealistic-fragmented annotations.

Variational autoencoders optimize an objective that combines a reconstruction loss (the distortion) and a KL term (the rate). The rate is an upper bound on the mutual information, which is often interpreted as a regularizer that controls the degree of compression. We here examine whether inclusion of the rate also acts as an inductive bias that improves generalization. We perform rate-distortion analyses that control the strength of the rate term, the network capacity, and the difficulty of the generalization problem. Decreasing the strength of the rate paradoxically improves generalization in most settings, and reducing the mutual information typically leads to underfitting. Moreover, we show that generalization continues to improve even after the mutual information saturates, indicating that the gap on the bound (i.e. the KL divergence relative to the inference marginal) affects generalization. This suggests that the standard Gaussian prior is not an inductive bias that typically aids generalization, prompting work to understand what choices of priors improve generalization in VAEs.

Given a dataset and an existing clustering as input, alternative clustering aims to find an alternative partition. One of the state-of-the-art approaches is Kernel Dimension Alternative Clustering (KDAC). We propose a novel Iterative Spectral Method (ISM) that greatly improves the scalability of KDAC. Our algorithm is intuitive, relies on easily implementable spectral decompositions, and comes with theoretical guarantees. Its computation time improves upon existing implementations of KDAC by as much as 5 orders of magnitude.

The Hilbert Schmidt Independence Criterion (HSIC) is a kernel dependence measure that has applications in various aspects of machine learning. Conveniently, the objectives of different dimensionality reduction applications using HSIC often reduce to the same optimization problem. However, the nonconvexity of the objective function arising from non-linear kernels poses a serious challenge to optimization efficiency and limits the potential of HSIC-based formulations. As a result, only linear kernels have been computationally tractable in practice. This paper proposes a spectral-based optimization algorithm that extends beyond the linear kernel. The algorithm identifies a family of suitable kernels and provides the first and second-order local guarantees when a fixed point is reached. Furthermore, we propose a principled initialization strategy, thereby removing the need to repeat the algorithm at random initialization points. Compared to state-of-the-art optimization algorithms, our empirical results on real data show a run-time improvement by as much as a factor of $10^5$ while consistently achieving lower cost and classification/clustering errors. The implementation source code is publicly available on https://github.com/endsley., Comment: arXiv admin note: substantial text overlap with arXiv:1909.03093

Kernel dimensionality reduction (KDR) algorithms find a low dimensional representation of the original data by optimizing kernel dependency measures that are capable of capturing nonlinear relationships. The standard strategy is to first map the data into a high dimensional feature space using kernels prior to a projection onto a low dimensional space. While KDR methods can be easily solved by keeping the most dominant eigenvectors of the kernel matrix, its features are no longer easy to interpret. Alternatively, Interpretable KDR (IKDR) is different in that it projects onto a subspace \textit{before} the kernel feature mapping, therefore, the projection matrix can indicate how the original features linearly combine to form the new features. Unfortunately, the IKDR objective requires a non-convex manifold optimization that is difficult to solve and can no longer be solved by eigendecomposition. Recently, an efficient iterative spectral (eigendecomposition) method (ISM) has been proposed for this objective in the context of alternative clustering. However, ISM only provides theoretical guarantees for the Gaussian kernel. This greatly constrains ISM's usage since any kernel method using ISM is now limited to a single kernel. This work extends the theoretical guarantees of ISM to an entire family of kernels, thereby empowering ISM to solve any kernel method of the same objective. In identifying this family, we prove that each kernel within the family has a surrogate $\Phi$ matrix and the optimal projection is formed by its most dominant eigenvectors. With this extension, we establish how a wide range of IKDR applications across different learning paradigms can be solved by ISM. To support reproducible results, the source code is made publicly available on \url{https://github.com/chieh-neu/ISM_supervised_DR}., Comment: Accepted to NeurIPS 2019

We propose a deep learning approach for discovering kernels tailored to identifying clusters over sample data. Our neural network produces sample embeddings that are motivated by--and are at least as expressive as--spectral clustering. Our training objective, based on the Hilbert Schmidt Information Criterion, can be optimized via gradient adaptations on the Stiefel manifold, leading to significant acceleration over spectral methods relying on eigendecompositions. Finally, our trained embedding can be directly applied to out-of-sample data. We show experimentally that our approach outperforms several state-of-the-art deep clustering methods, as well as traditional approaches such as $k$-means and spectral clustering over a broad array of real-life and synthetic datasets.

Neuroimaging studies produce gigabytes of spatio-temporal data for a small number of participants and stimuli. Rarely do researchers attempt to model and examine how individual participants vary from each other -- a question that should be addressable even in small samples given the right statistical tools. We propose Neural Topographic Factor Analysis (NTFA), a probabilistic factor analysis model that infers embeddings for participants and stimuli. These embeddings allow us to reason about differences between participants and stimuli as signal rather than noise. We evaluate NTFA on data from an in-house pilot experiment, as well as two publicly available datasets. We demonstrate that inferring representations for participants and stimuli improves predictive generalization to unseen data when compared to previous topographic methods. We also demonstrate that the inferred latent factor representations are useful for downstream tasks such as multivoxel pattern analysis and functional connectivity., Comment: 15 pages, 9 figures, associated source code available at https://github.com/neu-spiral/HTFATorch

We develop a data driven approach to perform clustering and end-to-end feature learning simultaneously for streaming data that can adaptively detect novel clusters in emerging data. Our approach, Adaptive Nonparametric Variational Autoencoder (AdapVAE), learns the cluster membership through a Bayesian Nonparametric (BNP) modeling framework with Deep Neural Networks (DNNs) for feature learning. We develop a joint online variational inference algorithm to learn feature representations and clustering assignments simultaneously via iteratively optimizing the Evidence Lower Bound (ELBO). We resolve the catastrophic forgetting \citep{kirkpatrick2017overcoming} challenges with streaming data by adopting generative samples from the trained AdapVAE using previous data, which avoids the need of storing and reusing past data. We demonstrate the advantages of our model including adaptive novel cluster detection without discarding useful information learned from past data, high quality sample generation and comparable clustering performance as end-to-end batch mode clustering methods on both image and text corpora benchmark datasets.

Pairwise comparison labels are more informative and less variable than class labels, but generating them poses a challenge: their number grows quadratically in the dataset size. We study a natural experimental design objective, namely, D-optimality, that can be used to identify which $K$ pairwise comparisons to generate. This objective is known to perform well in practice, and is submodular, making the selection approximable via the greedy algorithm. A na\"ive greedy implementation has $O(N^2d^2K)$ complexity, where $N$ is the dataset size, $d$ is the feature space dimension, and $K$ is the number of generated comparisons. We show that, by exploiting the inherent geometry of the dataset--namely, that it consists of pairwise comparisons--the greedy algorithm's complexity can be reduced to $O(N^2(K+d)+N(dK+d^2) +d^2K).$ We apply the same acceleration also to the so-called lazy greedy algorithm. When combined, the above improvements lead to an execution time of less than 1 hour for a dataset with $10^8$ comparisons; the na\"ive greedy algorithm on the same dataset would require more than 10 days to terminate.

An implicit goal in works on deep generative models is that such models should be able to generate novel examples that were not previously seen in the training data. In this paper, we investigate to what extent this property holds for widely employed variational autoencoder (VAE) architectures. VAEs maximize a lower bound on the log marginal likelihood, which implies that they will in principle overfit the training data when provided with a sufficiently expressive decoder. In the limit of an infinite capacity decoder, the optimal generative model is a uniform mixture over the training data. More generally, an optimal decoder should output a weighted average over the examples in the training data, where the magnitude of the weights is determined by the proximity in the latent space. This leads to the hypothesis that, for a sufficiently high capacity encoder and decoder, the VAE decoder will perform nearest-neighbor matching according to the coordinates in the latent space. To test this hypothesis, we investigate generalization on the MNIST dataset. We consider both generalization to new examples of previously seen classes, and generalization to the classes that were withheld from the training set. In both cases, we find that reconstructions are closely approximated by nearest neighbors for higher-dimensional parameterizations. When generalizing to unseen classes however, lower-dimensional parameterizations offer a clear advantage., Comment: Presented at Critiquing and Correcting Trends in Machine Learning Workshop at NeurIPS 2018

In this paper, we propose a new pre-training scheme for U-net based image segmentation. We first train the encoding arm as a localization network to predict the center of the target, before extending it into a U-net architecture for segmentation. We apply our proposed method to the problem of segmenting the optic disc from fundus photographs. Our work shows that the features learned by encoding arm can be transferred to the segmentation network to reduce the annotation burden. We propose that an approach could have broad utility for medical image segmentation, and alleviate the burden of delineating complex structures by pre-training on annotations that are much easier to acquire.