pwc-archive/papers-with-abstracts huggingface dataset:
Colored Kimia Path24 Dataset: Configurations and Benchmarks with Deep Embeddings
Authors: Sobhan Shafiei, Morteza Babaie, Shivam Kalra, H. R. Tizhoosh
Date: 2021-02-15 00:00:00
Tasks: Image Retrieval, Retrieval

The Kimia Path24 dataset has been introduced as a classification and retrieval dataset for digital pathology. Although it provides multi-class data, the color information has been neglected in the process of extracting patches. The staining information plays a major role in the recognition of tissue patterns. To address this drawback, we introduce the color version of Kimia Path24 by recreating sample patches from all 24 scans to propose Kimia Path24C. We run extensive experiments to determine the best configuration for selected patches. To provide preliminary results for setting a benchmark for the new dataset, we utilize VGG16, InceptionV3 and DenseNet-121 model as feature extractors. Then, we use these feature vectors to retrieve test patches. The accuracy of image retrieval using DenseNet was 95.92% while the highest accuracy using InceptionV3 and VGG16 reached 92.45% and 92%, respectively. We also experimented with "deep barcodes" and established that with a small loss in accuracy (e.g., 93.43% for binarized features for DenseNet instead of 95.92% when the features themselves are used), the search operations can be significantly accelerated.
Learning image quality assessment by reinforcing task amenable data selection
Authors: Shaheer U. Saeed, Yunguan Fu, Zachary M. C. Baum, Qianye Yang, Mirabela Rusu, Richard E. Fan, Geoffrey A. Sonn, Dean C. Barratt, Yipeng Hu
Date: 2021-02-15 00:00:00
Tasks: image-classification, Image Classification, Image Quality Assessment

In this paper, we consider a type of image quality assessment as a task-specific measurement, which can be used to select images that are more amenable to a given target task, such as image classification or segmentation. We propose to train simultaneously two neural networks for image selection and a target task using reinforcement learning. A controller network learns an image selection policy by maximising an accumulated reward based on the target task performance on the controller-selected validation set, whilst the target task predictor is optimised using the training set. The trained controller is therefore able to reject those images that lead to poor accuracy in the target task. In this work, we show that the controller-predicted image quality can be significantly different from the task-specific image quality labels that are manually defined by humans. Furthermore, we demonstrate that it is possible to learn effective image quality assessment without using a ``clean'' validation set, thereby avoiding the requirement for human labelling of images with respect to their amenability for the task. Using $6712$, labelled and segmented, clinical ultrasound images from $259$ patients, experimental results on holdout data show that the proposed image quality assessment achieved a mean classification accuracy of $0.94\pm0.01$ and a mean segmentation Dice of $0.89\pm0.02$, by discarding $5\%$ and $15\%$ of the acquired images, respectively. The significantly improved performance was observed for both tested tasks, compared with the respective $0.90\pm0.01$ and $0.82\pm0.02$ from networks without considering task amenability. This enables image quality feedback during real-time ultrasound acquisition among many other medical imaging applications.
Multi-Scale Neural Networks for to Fluid Flow in 3D Porous Media
Authors: Javier Santos, Ying Yin, Honggeun Jo, Wen Pan, Qinjun Kang, Hari Viswanathan, Masa Prodanovic, Michael Pyrcz, Nicholas Lubbers
Date: 2021-02-10 00:00:00

The permeability of complex porous materials can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as simulation domains become tighter or more heterogeneous. Semi-analytical models that rely on averaged structural properties (i.e. porosity and tortuosity) have been proposed, but these features only summarize the domain, resulting in limited applicability. On the other hand, data-driven machine learning approaches have shown great promise for building more general models by virtue of accounting for the spatial arrangement of the domains solid boundaries. However, prior approaches building on the Convolutional Neural Network (ConvNet) literature concerning 2D image recognition problems do not scale well to the large 3D domains required to obtain a Representative Elementary Volume (REV). As such, most prior work focused on homogeneous samples, where a small REV entails that that the global nature of fluid flow could be mostly neglected, and accordingly, the memory bottleneck of addressing 3D domains with ConvNets was side-stepped. Therefore, important geometries such as fractures and vuggy domains could not be well-modeled. In this work, we address this limitation with a general multiscale deep learning model that is able to learn from porous media simulation data. By using a coupled set of neural networks that view the domain on different scales, we enable the evaluation of large images in approximately one second on a single Graphics Processing Unit. This model architecture opens up the possibility of modeling domain sizes that would not be feasible using traditional direct simulation tools on a desktop computer.
Translational Equivariance in Kernelizable Attention
Authors: Max Horn, Kumar Shridhar, Elrich Groenewald, Philipp F. M. Baumann
Date: 2021-02-15 00:00:00
Tasks: Inductive Bias

While Transformer architectures have show remarkable success, they are bound to the computation of all pairwise interactions of input element and thus suffer from limited scalability. Recent work has been successful by avoiding the computation of the complete attention matrix, yet leads to problems down the line. The absence of an explicit attention matrix makes the inclusion of inductive biases relying on relative interactions between elements more challenging. An extremely powerful inductive bias is translational equivariance, which has been conjectured to be responsible for much of the success of Convolutional Neural Networks on image recognition tasks. In this work we show how translational equivariance can be implemented in efficient Transformers based on kernelizable attention - Performers. Our experiments highlight that the devised approach significantly improves robustness of Performers to shifts of input images compared to their naive application. This represents an important step on the path of replacing Convolutional Neural Networks with more expressive Transformer architectures and will help to improve sample efficiency and robustness in this realm.
Learning from Similarity-Confidence Data
Authors: Yuzhou Cao, Lei Feng, Yitian Xu, Bo An, Gang Niu, Masashi Sugiyama
Date: 2021-02-13 00:00:00
Tasks: Weakly-supervised Learning

Weakly supervised learning has drawn considerable attention recently to reduce the expensive time and labor consumption of labeling massive data. In this paper, we investigate a novel weakly supervised learning problem of learning from similarity-confidence (Sconf) data, where we aim to learn an effective binary classifier from only unlabeled data pairs equipped with confidence that illustrates their degree of similarity (two examples are similar if they belong to the same class). To solve this problem, we propose an unbiased estimator of the classification risk that can be calculated from only Sconf data and show that the estimation error bound achieves the optimal convergence rate. To alleviate potential overfitting when flexible models are used, we further employ a risk correction scheme on the proposed risk estimator. Experimental results demonstrate the effectiveness of the proposed methods.
Clustering Interval-Censored Time-Series for Disease Phenotyping
Authors: Irene Y. Chen, Rahul G. Krishnan, David Sontag
Date: 2021-02-13 00:00:00
Tasks: Clustering, Time Series, Time Series Analysis

Unsupervised learning is often used to uncover clusters in data. However, different kinds of noise may impede the discovery of useful patterns from real-world time-series data. In this work, we focus on mitigating the interference of interval censoring in the task of clustering for disease phenotyping. We develop a deep generative, continuous-time model of time-series data that clusters time-series while correcting for censorship time. We provide conditions under which clusters and the amount of delayed entry may be identified from data under a noiseless model. On synthetic data, we demonstrate accurate, stable, and interpretable results that outperform several benchmarks. On real-world clinical datasets of heart failure and Parkinson's disease patients, we study how interval censoring can adversely affect the task of disease phenotyping. Our model corrects for this source of error and recovers known clinical subtypes.
Asymmetric Heavy Tails and Implicit Bias in Gaussian Noise Injections
Authors: Alexander Camuto, Xiaoyu Wang, Lingjiong Zhu, Chris Holmes, Mert Gürbüzbalaban, Umut Şimşekli
Date: 2021-02-13 00:00:00

Gaussian noise injections (GNIs) are a family of simple and widely-used regularisation methods for training neural networks, where one injects additive or multiplicative Gaussian noise to the network activations at every iteration of the optimisation algorithm, which is typically chosen as stochastic gradient descent (SGD). In this paper we focus on the so-called `implicit effect' of GNIs, which is the effect of the injected noise on the dynamics of SGD. We show that this effect induces an asymmetric heavy-tailed noise on SGD gradient updates. In order to model this modified dynamics, we first develop a Langevin-like stochastic differential equation that is driven by a general family of asymmetric heavy-tailed noise. Using this model we then formally prove that GNIs induce an `implicit bias', which varies depending on the heaviness of the tails and the level of asymmetry. Our empirical results confirm that different types of neural networks trained with GNIs are well-modelled by the proposed dynamics and that the implicit effect of these injections induces a bias that degrades the performance of networks.
Diffusion Approximations for a Class of Sequential Testing Problems
Authors: Victor F. Araman, Rene Caldentey
Date: 2021-02-13 00:00:00
Tasks: Informativeness

We consider a decision maker who must choose an action in order to maximize a reward function that depends also on an unknown parameter {\Theta}. The decision maker can delay taking the action in order to experiment and gather additional information on {\Theta}. We model the decision maker's problem using a Bayesian sequential experimentation framework and use dynamic programming and diffusion-asymptotic analysis to solve it. For that, we scale our problem in a way that both the average number of experiments that is conducted per unit of time is large and the informativeness of each individual experiment is low. Under such regime, we derive a diffusion approximation for the sequential experimentation problem, which provides a number of important insights about the nature of the problem and its solution. Our solution method also shows that the complexity of the problem grows only quadratically with the cardinality of the set of actions from which the decision maker can choose. We illustrate our methodology and results using a concrete application in the context of assortment selection and new product introduction. Specifically, we study the problem of a seller who wants to select an optimal assortment of products to launch into the marketplace and is uncertain about consumers' preferences. Motivated by emerging practices in e-commerce, we assume that the seller is able to use a crowdvoting system to learn these preferences before a final assortment decision is made. In this context, we undertake an extensive numerical analysis to assess the value of learning and demonstrate the effectiveness and robustness of the heuristics derived from the diffusion approximation.
Achieving Efficiency in Black Box Simulation of Distribution Tails with Self-structuring Importance Samplers
Authors: Anand Deo, Karthyek Murthy
Date: 2021-02-14 00:00:00
Tasks: Decision Making, Management

This paper presents a novel Importance Sampling (IS) scheme for estimating distribution tails of performance measures modeled with a rich set of tools such as linear programs, integer linear programs, piecewise linear/quadratic objectives, feature maps specified with deep neural networks, etc. The conventional approach of explicitly identifying efficient changes of measure suffers from feasibility and scalability concerns beyond highly stylized models, due to their need to be tailored intricately to the objective and the underlying probability distribution. This bottleneck is overcome in the proposed scheme with an elementary transformation which is capable of implicitly inducing an effective IS distribution in a variety of models by replicating the concentration properties observed in less rare samples. This novel approach is guided by developing a large deviations principle that brings out the phenomenon of self-similarity of optimal IS distributions. The proposed sampler is the first to attain asymptotically optimal variance reduction across a spectrum of multivariate distributions despite being oblivious to the specifics of the underlying model. Its applicability is illustrated with contextual shortest path and portfolio credit risk models informed by neural networks
Healing Products of Gaussian Processes
Authors: samuel cohen, Rendani Mbuvha, Tshilidzi Marwala, Marc Peter Deisenroth
Date: 2021-02-14 00:00:00
Tasks: Gaussian Processes, General Classification, regression, Uncertainty Quantification

Gaussian processes (GPs) are nonparametric Bayesian models that have been applied to regression and classification problems. One of the approaches to alleviate their cubic training cost is the use of local GP experts trained on subsets of the data. In particular, product-of-expert models combine the predictive distributions of local experts through a tractable product operation. While these expert models allow for massively distributed computation, their predictions typically suffer from erratic behaviour of the mean or uncalibrated uncertainty quantification. By calibrating predictions via a tempered softmax weighting, we provide a solution to these problems for multiple product-of-expert models, including the generalised product of experts and the robust Bayesian committee machine. Furthermore, we leverage the optimal transport literature and propose a new product-of-expert model that combines predictions of local experts by computing their Wasserstein barycenter, which can be applied to both regression and classification.
Sliced Multi-Marginal Optimal Transport
Authors: samuel cohen, Alexander Terenin, Yannik Pitcan, Brandon Amos, Marc Peter Deisenroth, K S Sesh Kumar
Date: 2021-02-14 00:00:00
Tasks: Density Estimation, Multi-Task Learning

Multi-marginal optimal transport enables one to compare multiple probability measures, which increasingly finds application in multi-task learning problems. One practical limitation of multi-marginal transport is computational scalability in the number of measures, samples and dimensionality. In this work, we propose a multi-marginal optimal transport paradigm based on random one-dimensional projections, whose (generalized) distance we term the sliced multi-marginal Wasserstein distance. To construct this distance, we introduce a characterization of the one-dimensional multi-marginal Kantorovich problem and use it to highlight a number of properties of the sliced multi-marginal Wasserstein distance. In particular, we show that (i) the sliced multi-marginal Wasserstein distance is a (generalized) metric that induces the same topology as the standard Wasserstein distance, (ii) it admits a dimension-free sample complexity, (iii) it is tightly connected with the problem of barycentric averaging under the sliced-Wasserstein metric. We conclude by illustrating the sliced multi-marginal Wasserstein on multi-task density estimation and multi-dynamics reinforcement learning problems.
Manifold Density Estimation via Generalized Dequantization
Authors: James A. Brofos, Marcus A. Brubaker, Roy R. Lederman
Date: 2021-02-14 00:00:00
Tasks: Density Estimation

Density estimation is an important technique for characterizing distributions given observations. Much existing research on density estimation has focused on cases wherein the data lies in a Euclidean space. However, some kinds of data are not well-modeled by supposing that their underlying geometry is Euclidean. Instead, it can be useful to model such data as lying on a {\it manifold} with some known structure. For instance, some kinds of data may be known to lie on the surface of a sphere. We study the problem of estimating densities on manifolds. We propose a method, inspired by the literature on "dequantization," which we interpret through the lens of a coordinate transformation of an ambient Euclidean space and a smooth manifold of interest. Using methods from normalizing flows, we apply this method to the dequantization of smooth manifold structures in order to model densities on the sphere, tori, and the orthogonal group.
Think Global and Act Local: Bayesian Optimisation over High-Dimensional Categorical and Mixed Search Spaces
Authors: Xingchen Wan, Vu Nguyen, Huong Ha, Binxin Ru, Cong Lu, Michael A. Osborne
Date: 2021-02-14 00:00:00
Tasks: Bayesian Optimisation

High-dimensional black-box optimisation remains an important yet notoriously challenging problem. Despite the success of Bayesian optimisation methods on continuous domains, domains that are categorical, or that mix continuous and categorical variables, remain challenging. We propose a novel solution -- we combine local optimisation with a tailored kernel design, effectively handling high-dimensional categorical and mixed search spaces, whilst retaining sample efficiency. We further derive convergence guarantee for the proposed approach. Finally, we demonstrate empirically that our method outperforms the current baselines on a variety of synthetic and real-world tasks in terms of performance, computational costs, or both.
Efficient Designs of SLOPE Penalty Sequences in Finite Dimension
Authors: Yiliang Zhang, Zhiqi Bu
Date: 2021-02-14 00:00:00

In linear regression, SLOPE is a new convex analysis method that generalizes the Lasso via the sorted L1 penalty: larger fitted coefficients are penalized more heavily. This magnitude-dependent regularization requires an input of penalty sequence $\lambda$, instead of a scalar penalty as in the Lasso case, thus making the design extremely expensive in computation. In this paper, we propose two efficient algorithms to design the possibly high-dimensional SLOPE penalty, in order to minimize the mean squared error. For Gaussian data matrices, we propose a first order Projected Gradient Descent (PGD) under the Approximate Message Passing regime. For general data matrices, we present a zero-th order Coordinate Descent (CD) to design a sub-class of SLOPE, referred to as the k-level SLOPE. Our CD allows a useful trade-off between the accuracy and the computation speed. We demonstrate the performance of SLOPE with our designs via extensive experiments on synthetic data and real-world datasets.
Double-descent curves in neural networks: a new perspective using Gaussian processes
Authors: Ouns El Harzli, Bernardo Cuenca Grau, Guillermo Valle-Pérez, Ard A. Louis
Date: 2021-02-14 00:00:00
Tasks: Gaussian Processes, Learning Theory

Double-descent curves in neural networks describe the phenomenon that the generalisation error initially descends with increasing parameters, then grows after reaching an optimal number of parameters which is less than the number of data points, but then descends again in the overparameterized regime. In this paper, we use techniques from random matrix theory to characterize the spectral distribution of the empirical feature covariance matrix as a width-dependent perturbation of the spectrum of the neural network Gaussian process (NNGP) kernel, thus establishing a novel connection between the NNGP literature and the random matrix theory literature in the context of neural networks. Our analytical expression allows us to study the generalisation behavior of the corresponding kernel and GP regression, and provides a new interpretation of the double-descent phenomenon, namely as governed by the discrepancy between the width-dependent empirical kernel and the width-independent NNGP kernel.
Asymptotically Optimal Strategies For Combinatorial Semi-Bandits in Polynomial Time
Authors: Thibaut Cuvelier, Richard Combes, Eric Gourdin
Date: 2021-02-14 00:00:00

We consider combinatorial semi-bandits with uncorrelated Gaussian rewards. In this article, we propose the first method, to the best of our knowledge, that enables to compute the solution of the Graves-Lai optimization problem in polynomial time for many combinatorial structures of interest. In turn, this immediately yields the first known approach to implement asymptotically optimal algorithms in polynomial time for combinatorial semi-bandits.
Tractable structured natural gradient descent using local parameterizations
Authors: Wu Lin, Frank Nielsen, Mohammad Emtiyaz Khan, Mark Schmidt
Date: 2021-02-15 00:00:00
Tasks: Variational Inference

Natural-gradient descent (NGD) on structured parameter spaces (e.g., low-rank covariances) is computationally challenging due to difficult Fisher-matrix computations. We address this issue by using \emph{local-parameter coordinates} to obtain a flexible and efficient NGD method that works well for a wide-variety of structured parameterizations. We show four applications where our method (1) generalizes the exponential natural evolutionary strategy, (2) recovers existing Newton-like algorithms, (3) yields new structured second-order algorithms via matrix groups, and (4) gives new algorithms to learn covariances of Gaussian and Wishart-based distributions. We show results on a range of problems from deep learning, variational inference, and evolution strategies. Our work opens a new direction for scalable structured geometric methods.
Fast and accurate optimization on the orthogonal manifold without retraction
Authors: Pierre Ablin, Gabriel Peyré
Date: 2021-02-15 00:00:00

We consider the problem of minimizing a function over the manifold of orthogonal matrices. The majority of algorithms for this problem compute a direction in the tangent space, and then use a retraction to move in that direction while staying on the manifold. Unfortunately, the numerical computation of retractions on the orthogonal manifold always involves some expensive linear algebra operation, such as matrix inversion, exponential or square-root. These operations quickly become expensive as the dimension of the matrices grows. To bypass this limitation, we propose the landing algorithm which does not use retractions. The algorithm is not constrained to stay on the manifold but its evolution is driven by a potential energy which progressively attracts it towards the manifold. One iteration of the landing algorithm only involves matrix multiplications, which makes it cheap compared to its retraction counterparts. We provide an analysis of the convergence of the algorithm, and demonstrate its promises on large-scale and deep learning problems, where it is faster and less prone to numerical errors than retraction-based methods.