arXiv subjects

Eric Nalisnick

Publications and source records attributed to Eric Nalisnick.

At least 55 records · Page 3Linked to original sources

arXiv2023

One Strike, You're Out: Detecting Markush Structures in Low Signal-to-Noise Ratio Images

Modern research increasingly relies on automated methods to assist researchers. An example of this is Optical Chemical Structure Recognition (OCSR), which aids chemists in retrieving information about chemicals from large amounts of documents. Markush structures are chemical structures that cannot be parsed correctly by OCSR and cause errors. The focus of this research was to propose and test a novel method for classifying Markush structures. Within this method, a comparison was made between fixed-feature extraction and end-to-end learning (CNN). The end-to-end method performed significantly better than the fixed-feature method, achieving 0.928 (0.035 SD) Macro F1 compared to the fixed-feature method's 0.701 (0.052 SD). Because of the nature of the experiment, these figures are a lower bound and can be improved further. These results suggest that Markush structures can be filtered out effectively and accurately using the proposed method. When implemented into OCSR pipelines, this method can improve their performance and use to other researchers.

cs.CV↗

arXiv2023

Towards Anytime Classification in Early-Exit Architectures by Enforcing Conditional Monotonicity

Modern predictive models are often deployed to environments in which computational budgets are dynamic. Anytime algorithms are well-suited to such environments as, at any point during computation, they can output a prediction whose quality is a function of computation time. Early-exit neural networks have garnered attention in the context of anytime computation due to their capability to provide intermediate predictions at various stages throughout the network. However, we demonstrate that current early-exit networks are not directly applicable to anytime settings, as the quality of predictions for individual data points is not guaranteed to improve with longer computation. To address this shortcoming, we propose an elegant post-hoc modification, based on the Product-of-Experts, that encourages an early-exit network to become gradually confident. This gives our deep models the property of conditional monotonicity in the prediction quality -- an essential stepping stone towards truly anytime predictive modeling using early-exit architectures. Our empirical results on standard image-classification tasks demonstrate that such behaviors can be achieved while preserving competitive accuracy on average.

cs.LG↗

arXiv2023

Exploiting Inferential Structure in Neural Processes

Neural Processes (NPs) are appealing due to their ability to perform fast adaptation based on a context set. This set is encoded by a latent variable, which is often assumed to follow a simple distribution. However, in real-word settings, the context set may be drawn from richer distributions having multiple modes, heavy tails, etc. In this work, we provide a framework that allows NPs' latent variable to be given a rich prior defined by a graphical model. These distributional assumptions directly translate into an appropriate aggregation strategy for the context set. Moreover, we describe a message-passing procedure that still allows for end-to-end optimization with stochastic gradients. We demonstrate the generality of our framework by using mixture and Student-t assumptions that yield improvements in function modelling and test-time robustness.

cs.LG↗

arXiv2023

Sampling-based inference for large linear models, with application to linearised Laplace

Large-scale linear models are ubiquitous throughout machine learning, with contemporary application as surrogate models for neural network uncertainty quantification; that is, the linearised Laplace method. Alas, the computational cost associated with Bayesian linear models constrains this method's application to small networks, small output spaces and small datasets. We address this limitation by introducing a scalable sample-based Bayesian inference method for conjugate Gaussian multi-output linear models, together with a matching method for hyperparameter (regularisation) selection. Furthermore, we use a classic feature normalisation method (the g-prior) to resolve a previously highlighted pathology of the linearised Laplace method. Together, these contributions allow us to perform linearised neural network inference with ResNet-18 on CIFAR100 (11M parameters, 100 outputs x 50k datapoints), with ResNet-50 on Imagenet (50M parameters, 1000 outputs x 1.2M datapoints) and with a U-Net on a high-resolution tomographic reconstruction task (2M parameters, 251k output~dimensions).

stat.ML↗

arXiv2023

Learning to Defer to Multiple Experts: Consistent Surrogate Losses, Confidence Calibration, and Conformal Ensembles

We study the statistical properties of learning to defer (L2D) to multiple experts. In particular, we address the open problems of deriving a consistent surrogate loss, confidence calibration, and principled ensembling of experts. Firstly, we derive two consistent surrogates -- one based on a softmax parameterization, the other on a one-vs-all (OvA) parameterization -- that are analogous to the single expert losses proposed by Mozannar and Sontag (2020) and Verma and Nalisnick (2022), respectively. We then study the frameworks' ability to estimate P( m_j = y | x ), the probability that the jth expert will correctly predict the label for x. Theory shows the softmax-based loss causes mis-calibration to propagate between the estimates while the OvA-based loss does not (though in practice, we find there are trade offs). Lastly, we propose a conformal inference technique that chooses a subset of experts to query when the system defers. We perform empirical validation on tasks for galaxy, skin lesion, and hate speech classification.

stat.ML↗

arXiv2023

Do Bayesian Neural Networks Need To Be Fully Stochastic?

We investigate the benefit of treating all the parameters in a Bayesian neural network stochastically and find compelling theoretical and empirical evidence that this standard construction may be unnecessary. To this end, we prove that expressive predictive distributions require only small amounts of stochasticity. In particular, partially stochastic networks with only $n$ stochastic biases are universal probabilistic predictors for $n$-dimensional predictive problems. In empirical investigations, we find no systematic benefit of full stochasticity across four different inference modalities and eight datasets; partially stochastic networks can match and sometimes even outperform fully stochastic networks, despite their reduced memory costs.

cs.LG↗

arXiv2022

Adapting the Linearised Laplace Model Evidence for Modern Deep Learning

The linearised Laplace method for estimating model uncertainty has received renewed attention in the Bayesian deep learning community. The method provides reliable error bars and admits a closed-form expression for the model evidence, allowing for scalable selection of model hyperparameters. In this work, we examine the assumptions behind this method, particularly in conjunction with model selection. We show that these interact poorly with some now-standard tools of deep learning--stochastic approximation methods and normalisation layers--and make recommendations for how to better adapt this classic method to the modern setting. We provide theoretical support for our recommendations and validate them empirically on MLPs, classic CNNs, residual networks with and without normalisation layers, generative autoencoders and transformers.

stat.ML↗

arXiv2022

Hate Speech Criteria: A Modular Approach to Task-Specific Hate Speech Definitions

\textbf{Offensive Content Warning}: This paper contains offensive language only for providing examples that clarify this research and do not reflect the authors' opinions. Please be aware that these examples are offensive and may cause you distress. The subjectivity of recognizing \textit{hate speech} makes it a complex task. This is also reflected by different and incomplete definitions in NLP. We present \textit{hate speech} criteria, developed with perspectives from law and social science, with the aim of helping researchers create more precise definitions and annotation guidelines on five aspects: (1) target groups, (2) dominance, (3) perpetrator characteristics, (4) type of negative group reference, and the (5) type of potential consequences/effects. Definitions can be structured so that they cover a more broad or more narrow phenomenon. As such, conscious choices can be made on specifying criteria or leaving them open. We argue that the goal and exact task developers have in mind should determine how the scope of \textit{hate speech} is defined. We provide an overview of the properties of English datasets from \url{hatespeechdata.com} that may help select the most suitable dataset for a specific scenario.

cs.CL↗

arXiv2022

Calibrated Learning to Defer with One-vs-All Classifiers

The learning to defer (L2D) framework has the potential to make AI systems safer. For a given input, the system can defer the decision to a human if the human is more likely than the model to take the correct action. We study the calibration of L2D systems, investigating if the probabilities they output are sound. We find that Mozannar & Sontag's (2020) multiclass framework is not calibrated with respect to expert correctness. Moreover, it is not even guaranteed to produce valid probabilities due to its parameterization being degenerate for this purpose. We propose an L2D system based on one-vs-all classifiers that is able to produce calibrated probabilities of expert correctness. Furthermore, our loss function is also a consistent surrogate for multiclass L2D, like Mozannar & Sontag's (2020). Our experiments verify that not only is our system calibrated, but this benefit comes at no cost to accuracy. Our model's accuracy is always comparable (and often superior) to Mozannar & Sontag's (2020) model's in tasks ranging from hate speech detection to galaxy classification to diagnosis of skin lesions.

cs.LG↗

arXiv2022

Adversarial Defense via Image Denoising with Chaotic Encryption

In the literature on adversarial examples, white box and black box attacks have received the most attention. The adversary is assumed to have either full (white) or no (black) access to the defender's model. In this work, we focus on the equally practical gray box setting, assuming an attacker has partial information. We propose a novel defense that assumes everything but a private key will be made available to the attacker. Our framework uses an image denoising procedure coupled with encryption via a discretized Baker map. Extensive testing against adversarial images (e.g. FGSM, PGD) crafted using various gradients shows that our defense achieves significantly better results on CIFAR-10 and CIFAR-100 than the state-of-the-art gray box defenses in both natural and adversarial accuracy.

cs.LG↗

arXiv2022

Bayesian Deep Learning via Subnetwork Inference

The Bayesian paradigm has the potential to solve core issues of deep neural networks such as poor calibration and data inefficiency. Alas, scaling Bayesian inference to large weight spaces often requires restrictive approximations. In this work, we show that it suffices to perform inference over a small subset of model weights in order to obtain accurate predictive posteriors. The other weights are kept as point estimates. This subnetwork inference framework enables us to use expressive, otherwise intractable, posterior approximations over such subsets. In particular, we implement subnetwork linearized Laplace as a simple, scalable Bayesian deep learning method: We first obtain a MAP estimate of all weights and then infer a full-covariance Gaussian posterior over a subnetwork using the linearized Laplace approximation. We propose a subnetwork selection strategy that aims to maximally preserve the model's predictive uncertainty. Empirically, our approach compares favorably to ensembles and less expressive posterior approximations over full networks. Our proposed subnetwork (linearized) Laplace method is implemented within the laplace PyTorch library at https://github.com/AlexImmer/Laplace.

cs.LG↗

arXiv2021

How Emotionally Stable is ALBERT? Testing Robustness with Stochastic Weight Averaging on a Sentiment Analysis Task

Despite their success, modern language models are fragile. Even small changes in their training pipeline can lead to unexpected results. We study this phenomenon by examining the robustness of ALBERT (arXiv:1909.11942) in combination with Stochastic Weight Averaging (SWA) (arXiv:1803.05407) -- a cheap way of ensembling -- on a sentiment analysis task (SST-2). In particular, we analyze SWA's stability via CheckList criteria (arXiv:2005.04118), examining the agreement on errors made by models differing only in their random seed. We hypothesize that SWA is more stable because it ensembles model snapshots taken along the gradient descent trajectory. We quantify stability by comparing the models' mistakes with Fleiss' Kappa (Fleiss, 1971) and overlap ratio scores. We find that SWA reduces error rates in general; yet the models still suffer from their own distinct biases (according to CheckList).

cs.CL↗

arXiv2021

Normalizing Flows for Probabilistic Modeling and Inference

Normalizing flows provide a general mechanism for defining expressive probability distributions, only requiring the specification of a (usually simple) base distribution and a series of bijective transformations. There has been much recent work on normalizing flows, ranging from improving their expressive power to expanding their application. We believe the field has now matured and is in need of a unified perspective. In this review, we attempt to provide such a perspective by describing flows through the lens of probabilistic modeling and inference. We place special emphasis on the fundamental principles of flow design, and discuss foundational topics such as expressive power and computational trade-offs. We also broaden the conceptual framing of flows by relating them to more general probability transformations. Lastly, we summarize the use of flows for tasks such as generative modeling, approximate inference, and supervised learning.

stat.ML↗

arXiv2021

Bayesian Batch Active Learning as Sparse Subset Approximation

Leveraging the wealth of unlabeled data produced in recent years provides great potential for improving supervised models. When the cost of acquiring labels is high, probabilistic active learning methods can be used to greedily select the most informative data points to be labeled. However, for many large-scale problems standard greedy procedures become computationally infeasible and suffer from negligible model change. In this paper, we introduce a novel Bayesian batch active learning approach that mitigates these issues. Our approach is motivated by approximating the complete data posterior of the model parameters. While naive batch construction methods result in correlated queries, our algorithm produces diverse batches that enable efficient active learning at scale. We derive interpretable closed-form solutions akin to existing active learning procedures for linear models, and generalize to arbitrary models using random projections. We demonstrate the benefits of our approach on several large-scale regression and classification tasks.

stat.ML↗

arXiv2020

Predictive Complexity Priors

Specifying a Bayesian prior is notoriously difficult for complex models such as neural networks. Reasoning about parameters is made challenging by the high-dimensionality and over-parameterization of the space. Priors that seem benign and uninformative can have unintuitive and detrimental effects on a model's predictions. For this reason, we propose predictive complexity priors: a functional prior that is defined by comparing the model's predictions to those of a reference model. Although originally defined on the model outputs, we transfer the prior to the model parameters via a change of variables. The traditional Bayesian workflow can then proceed as usual. We apply our predictive complexity prior to high-dimensional regression, reasoning over neural network depth, and sharing of statistical strength for few-shot learning.

stat.ML↗

arXiv2019

Detecting Out-of-Distribution Inputs to Deep Generative Models Using Typicality

Recent work has shown that deep generative models can assign higher likelihood to out-of-distribution data sets than to their training data (Nalisnick et al., 2019; Choi et al., 2019). We posit that this phenomenon is caused by a mismatch between the model's typical set and its areas of high probability density. In-distribution inputs should reside in the former but not necessarily in the latter, as previous work has presumed. To determine whether or not inputs reside in the typical set, we propose a statistically principled, easy-to-implement test using the empirical distribution of model likelihoods. The test is model agnostic and widely applicable, only requiring that the likelihood can be computed or closely approximated. We report experiments showing that our procedure can successfully detect the out-of-distribution sets in several of the challenging cases reported by Nalisnick et al. (2019).

stat.ML↗

arXiv2019

Dropout as a Structured Shrinkage Prior

Dropout regularization of deep neural networks has been a mysterious yet effective tool to prevent overfitting. Explanations for its success range from the prevention of "co-adapted" weights to it being a form of cheap Bayesian inference. We propose a novel framework for understanding multiplicative noise in neural networks, considering continuous distributions as well as Bernoulli noise (i.e. dropout). We show that multiplicative noise induces structured shrinkage priors on a network's weights. We derive the equivalence through reparametrization properties of scale mixtures and without invoking any approximations. Given the equivalence, we then show that dropout's Monte Carlo training objective approximates marginal MAP estimation. We leverage these insights to propose a novel shrinkage framework for resnets, terming the prior 'automatic depth determination' as it is the natural analog of automatic relevance determination for network depth. Lastly, we investigate two inference strategies that improve upon the aforementioned MAP approximation in regression benchmarks.

stat.ML↗

arXiv2019

Hybrid Models with Deep and Invertible Features

We propose a neural hybrid model consisting of a linear model defined on a set of features computed by a deep, invertible transformation (i.e. a normalizing flow). An attractive property of our model is that both p(features), the density of the features, and p(targets | features), the predictive distribution, can be computed exactly in a single feed-forward pass. We show that our hybrid model, despite the invertibility constraints, achieves similar accuracy to purely predictive models. Moreover the generative component remains a good model of the input features despite the hybrid optimization objective. This offers additional capabilities such as detection of out-of-distribution inputs and enabling semi-supervised learning. The availability of the exact joint density p(targets, features) also allows us to compute many quantities readily, making our hybrid model a useful building block for downstream applications of probabilistic deep learning.

cs.LG↗