pwc-archive/papers-with-abstracts huggingface dataset:
Human Gist Processing Augments Deep Learning Breast Cancer Risk Assessment
Authors: Skylar W. Wurster, Arkadiusz Sitek, Jian Chen, Karla Evans, Gaeun Kim, Jeremy M. Wolfe
Date: 2019-11-28 00:00:00
Tasks: BIG-bench Machine Learning, Deep Learning

Radiologists can classify a mammogram as normal or abnormal at better than chance levels after less than a second's exposure to the images. In this work, we combine these radiologists' gist inputs into pre-trained machine learning models to validate that integrating gist with a CNN model can achieve an AUC (area under the curve) statistically significantly higher than either the gist perception of radiologists or the model without gist input.
Impact of perfusion ROI detection to the quality of CBV perfusion map
Authors: Svitlana Alkhimova
Date: 2019-11-20 00:00:00

The object of research in this study is quality of CBV perfusion map, considering detection of perfusion ROI as a key component in processing of dynamic susceptibility contrast magnetic resonance images of a human head. CBV map is generally accepted to be the best among others to evaluate location and size of stroke lesions and angiogenesis of brain tumors. Its poor accuracy can cause failed results for both quantitative measurements and visual assessment of cerebral blood volume. The impact of perfusion ROI detection on the quality of maps was analyzed through comparison of maps produced from threshold and reference images of the same datasets from 12 patients with cerebrovascular disease. Brain perfusion ROI was placed to exclude low intensity (air and non-brain tissues regions) and high intensity (cerebrospinal fluid regions) pixels. Maps were produced using area under the curve and deconvolution methods. For both methods compared maps were primarily correlational according to Pearson correlation analysis: r=0.8752 and r=0.8706 for area under the curve and deconvolution, respectively, p<2.2*10^-16. In spite of this, for both methods scatter plots had data points associated with missed blood regions and regression lines indicated presence of scale and offset errors for maps produced from threshold images. Obtained results indicate that thresholding is an ineffective way to detect brain perfusion ROI, which usage can cause degradation of CBV map quality. Perfusion ROI detection should be standardized and accepted into validation protocols of new systems for perfusion data analysis.
Traffic map prediction using UNet based deep convolutional neural network
Authors: Sungbin Choi
Date: 2019-11-25 00:00:00

This paper describes our UNet based deep convolutional neural network approach on the Traffic4cast challenge 2019. Challenges task is to predict future traffic flow volume, heading and speed on high resolution whole city map. We used UNet based deep convolutional neural network to train predictive model for the short term traffic forecast. On each convolution block, layers are densely connected with subsequent layers like a DenseNet. Trained and evaluated on the real world data set collected from three distinct cities in the world, our method achieved best performance in this challenge.
Solving the Reaction-Diffusion equation based on analytical methods and deep learning algorithm; the Case study of sulfate attack to concrete
Authors: Amin Karimi Monsefi, Rana Bakhtiyarzade
Date: 2019-12-07 00:00:00
Tasks: Deep Learning

The reaction-diffusion equation is one of the cornerstones equations in applied science and engineering. In the present study, a deep neural network has been trained in order to predict the solution of the equation with different coefficients using the numerical solution of this equation and the utility of deep learning. Analytical solution of the Reaction-Diffusion equation also has been conducted by taking advantage of the Danckwerts method. The accuracy of deep learning results was compared with the analytical solutions. In order to decrease the learning time and to find out similar equations solutions, such as pure diffusion and pure reaction, dimensional analysis technique has been performed. It was demonstrated that deep learning can accurately estimate the Partial Differential Equations solutionin the case of the reaction-diffusion equation with a constant coefficient.
Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space
Authors: James M. Stevenson, Leif D. Jacobson, Yutong Zhao, Chuanjie Wu, Jon Maple, Karl Leswing, Edward Harder, Robert Abel
Date: 2019-11-22 00:00:00
Tasks: Drug Discovery

We have developed a neural network potential energy function for use in drug discovery, with chemical element support extended from 41% to 94% of druglike molecules based on ChEMBL. We expand on the work of Smith et al., with their highly accurate network for the elements H, C, N, O, creating a network for H, C, N, O, S, F, Cl, P. We focus particularly on the calculation of relative conformer energies, for which we show that our new potential energy function has an RMSE of 0.70 kcal/mol for prospective druglike molecule conformers, substantially better than the previous state of the art. The speed and accuracy of this model could greatly accelerate the parameterization of protein-ligand binding free energy calculations for novel druglike molecules.
Efficient Search for Diverse Coherent Explanations
Authors: Chris Russell
Date: 2019-01-02 00:00:00
Tasks: counterfactual

This paper proposes new search algorithms for counterfactual explanations based upon mixed integer programming. We are concerned with complex data in which variables may take any value from a contiguous range or an additional set of discrete states. We propose a novel set of constraints that we refer to as a "mixed polytope" and show how this can be used with an integer programming solver to efficiently find coherent counterfactual explanations i.e. solutions that are guaranteed to map back onto the underlying data structure, while avoiding the need for brute-force enumeration. We also look at the problem of diverse explanations and show how these can be generated within our framework.
Histogram Transform Ensembles for Large-scale Regression
Authors: Hanyuan Hang, Zhouchen Lin, Xiaoyu Liu, Hongwei Wen
Date: 2019-12-08 00:00:00
Tasks: regression

We propose a novel algorithm for large-scale regression problems named histogram transform ensembles (HTE), composed of random rotations, stretchings, and translations. First of all, we investigate the theoretical properties of HTE when the regression function lies in the H\"{o}lder space $C^{k,\alpha}$, $k \in \mathbb{N}_0$, $\alpha \in (0,1]$. In the case that $k=0, 1$, we adopt the constant regressors and develop the na\"{i}ve histogram transforms (NHT). Within the space $C^{0,\alpha}$, although almost optimal convergence rates can be derived for both single and ensemble NHT, we fail to show the benefits of ensembles over single estimators theoretically. In contrast, in the subspace $C^{1,\alpha}$, we prove that if $d \geq 2(1+\alpha)/\alpha$, the lower bound of the convergence rates for single NHT turns out to be worse than the upper bound of the convergence rates for ensemble NHT. In the other case when $k \geq 2$, the NHT may no longer be appropriate in predicting smoother regression functions. Instead, we apply kernel histogram transforms (KHT) equipped with smoother regressors such as support vector machines (SVMs), and it turns out that both single and ensemble KHT enjoy almost optimal convergence rates. Then we validate the above theoretical results by numerical experiments. On the one hand, simulations are conducted to elucidate that ensemble NHT outperform single NHT. On the other hand, the effects of bin sizes on accuracy of both NHT and KHT also accord with theoretical analysis. Last but not least, in the real-data experiments, comparisons between the ensemble KHT, equipped with adaptive histogram transforms, and other state-of-the-art large-scale regression estimators verify the effectiveness and accuracy of our algorithm.
Identifying nearby sources of ultra-high-energy cosmic rays with deep learning
Authors: Oleg Kalashev, Maxim Pshirkov, Mikhail Zotov
Date: 2019-12-02 00:00:00

We present a method to analyse arrival directions of ultra-high-energy cosmic rays (UHECRs) using a classifier defined by a deep convolutional neural network trained on a HEALPix grid. To illustrate a high effectiveness of the method, we employ it to estimate prospects of detecting a large-scale anisotropy of UHECRs induced by a nearby source with an (orbital) detector having a uniform exposure of the celestial sphere and compare the results with our earlier calculations based on the angular power spectrum. A minimal model for extragalactic cosmic rays and neutrinos by Kachelrie{\ss}, Kalashev, Ostapchenko and Semikoz (2017) is assumed for definiteness and nearby active galactic nuclei Centaurus A, M82, NGC 253, M87 and Fornax A are considered as possible sources of UHECRs. We demonstrate that the proposed method drastically improves sensitivity of an experiment by decreasing the minimal required amount of detected UHECRs or the minimal detectable fraction of from-source events several times compared to the approach based on the angular power spectrum. We also test robustness of the neural networks against different models of the large-scale Galactic magnetic fields and variations of the mass composition of UHECRs, and consider situations when there are two nearby sources or the dominating source is not known a~priori. In all cases, the neural networks demonstrate good performance unless the test models strongly deviate from those used for training. The method can be readily applied to the analysis of data of the Telescope Array, the Pierre Auger Observatory and other cosmic ray experiments.
Cross-Language Aphasia Detection using Optimal Transport Domain Adaptation
Authors: Aparna Balagopalan, Jekaterina Novikova, Matthew B. A. McDermott, Bret Nestor, Tristan Naumann, Marzyeh Ghassemi
Date: 2019-12-04 00:00:00
Tasks: Domain Adaptation

Multi-language speech datasets are scarce and often have small sample sizes in the medical domain. Robust transfer of linguistic features across languages could improve rates of early diagnosis and therapy for speakers of low-resource languages when detecting health conditions from speech. We utilize out-of-domain, unpaired, single-speaker, healthy speech data for training multiple Optimal Transport (OT) domain adaptation systems. We learn mappings from other languages to English and detect aphasia from linguistic characteristics of speech, and show that OT domain adaptation improves aphasia detection over unilingual baselines for French (6% increased F1) and Mandarin (5% increased F1). Further, we show that adding aphasic data to the domain adaptation system significantly increases performance for both French and Mandarin, increasing the F1 scores further (10% and 8% increase in F1 scores for French and Mandarin, respectively, over unilingual baselines).
A Dataset for measuring reading levels in India at scale
Authors: Dolly Agarwal, Jayant Gupchup, Nishant Baghel
Date: 2019-11-27 00:00:00

One out of four children in India are leaving grade eight without basic reading skills. Measuring the reading levels in a vast country like India poses significant hurdles. Recent advances in machine learning opens up the possibility of automating this task. However, the datasets of children's speech are not only rare but are primarily in English. To solve this assessment problem and advance deep learning research in regional Indian languages, we present the ASER dataset of children in the age group of 6-14. The dataset consists of 5,301 subjects generating 81,330 labeled audio clips in Hindi, Marathi and English. These labels represent expert opinions on the child's ability to read at a specified level. Using this dataset, we built a simple ASR-based classifier. Early results indicate that we can achieve a prediction accuracy of 86% for the English language. Considering the ASER survey spans half a million subjects, this dataset can grow to those scales.
Noisy, sparse, nonlinear: Navigating the Bermuda Triangle of physical inference with deep filtering
Authors: Carl Poelking, Yehia Amar, Alexei Lapkin, Lucy Colwell
Date: 2019-11-19 00:00:00
Tasks: BIG-bench Machine Learning

Capturing the microscopic interactions that determine molecular reactivity poses a challenge across the physical sciences. Even a basic understanding of the underlying reaction mechanisms can substantially accelerate materials and compound design, including the development of new catalysts or drugs. Given the difficulties routinely faced by both experimental and theoretical investigations that aim to improve our mechanistic understanding of a reaction, recent advances have focused on data-driven routes to derive structure-property relationships directly from high-throughput screens. However, even these high-quality, high-volume data are noisy, sparse and biased -- placing them in a regime where machine-learning is extremely challenging. Here we show that a statistical approach based on deep filtering of nonlinear feature networks results in physicochemical models that are more robust, transparent and generalize better than standard machine-learning architectures. Using diligent descriptor design and data post-processing, we exemplify the approach using both literature and fresh data on asymmetric catalytic hydrogenation, Palladium-catalyzed cross-coupling reactions, and drug-drug synergy. We illustrate how the sparse models uncovered by the filtering help us formulate physicochemical reaction ``pharmacophores'', investigate experimental bias and derive strategies for mechanism detection and classification.
General Matrix-Matrix Multiplication Using SIMD features of the PIII
Authors: Douglas Aberdeen, Jonathan Baxter
Date: 2019-11-18 00:00:00

Generalised matrix-matrix multiplication forms the kernel of many mathematical algorithms. A faster matrix-matrix multiply immediately benefits these algorithms. In this paper we implement efficient matrix multiplication for large matrices using the floating point Intel Pentium SIMD (Single Instruction Multiple Data) architecture. A description of the issues and our solution is presented, paying attention to all levels of the memory hierarchy. Our results demonstrate an average performance of 2.09 times faster than the leading public domain matrix-matrix multiply routines.
Local Deep Implicit Functions for 3D Shape
Authors: Kyle Genova, Forrester Cole, Avneesh Sud, Aaron Sarna, Thomas Funkhouser
Date: 2019-12-12 00:00:00
Proceeding: CVPR 2020 6
Tasks: 3D Shape Representation, Surface Reconstruction

The goal of this project is to learn a 3D shape representation that enables accurate surface reconstruction, compact storage, efficient computation, consistency for similar shapes, generalization across diverse shape categories, and inference from depth camera observations. Towards this end, we introduce Local Deep Implicit Functions (LDIF), a 3D shape representation that decomposes space into a structured set of learned implicit functions. We provide networks that infer the space decomposition and local deep implicit functions from a 3D mesh or posed depth image. During experiments, we find that it provides 10.3 points higher surface reconstruction accuracy (F-Score) than the state-of-the-art (OccNet), while requiring fewer than 1 percent of the network parameters. Experiments on posed depth image completion and generalization to unseen classes show 15.8 and 17.8 point improvements over the state-of-the-art, while producing a structured 3D representation for each input with consistency across diverse shape collections.
Unified Generative Adversarial Networks for Controllable Image-to-Image Translation
Authors: Hao Tang, Hong Liu, Nicu Sebe
Date: 2019-12-12 00:00:00
Tasks: Facial Expression Translation, Generative Adversarial Network, Gesture-to-Gesture Translation, Image Generation, Image-to-Image Translation, Translation

We propose a unified Generative Adversarial Network (GAN) for controllable image-to-image translation, i.e., transferring an image from a source to a target domain guided by controllable structures. In addition to conditioning on a reference image, we show how the model can generate images conditioned on controllable structures, e.g., class labels, object keypoints, human skeletons, and scene semantic maps. The proposed model consists of a single generator and a discriminator taking a conditional image and the target controllable structure as input. In this way, the conditional image can provide appearance information and the controllable structure can provide the structure information for generating the target result. Moreover, our model learns the image-to-image mapping through three novel losses, i.e., color loss, controllable structure guided cycle-consistency loss, and controllable structure guided self-content preserving loss. Also, we present the Fr\'echet ResNet Distance (FRD) to evaluate the quality of the generated images. Experiments on two challenging image translation tasks, i.e., hand gesture-to-gesture translation and cross-view image translation, show that our model generates convincing results, and significantly outperforms other state-of-the-art methods on both tasks. Meanwhile, the proposed framework is a unified solution, thus it can be applied to solving other controllable structure guided image translation tasks such as landmark guided facial expression translation and keypoint guided person image generation. To the best of our knowledge, we are the first to make one GAN framework work on all such controllable structure guided image translation tasks. Code is available at https://github.com/Ha0Tang/GestureGAN.
Sublinear Optimal Policy Value Estimation in Contextual Bandits
Authors: Weihao Kong, Gregory Valiant, Emma Brunskill
Date: 2019-12-12 00:00:00
Tasks: Multi-Armed Bandits

We study the problem of estimating the expected reward of the optimal policy in the stochastic disjoint linear bandit setting. We prove that for certain settings it is possible to obtain an accurate estimate of the optimal policy value even with a number of samples that is sublinear in the number that would be required to \emph{find} a policy that realizes a value close to this optima. We establish nearly matching information theoretic lower bounds, showing that our algorithm achieves near optimal estimation error. Finally, we demonstrate the effectiveness of our algorithm on joke recommendation and cancer inhibition dosage selection problems using real datasets.
The PlayStation Reinforcement Learning Environment (PSXLE)
Authors: Carlos Purves, Cătălina Cangea, Petar Veličković
Date: 2019-12-12 00:00:00
Tasks: OpenAI Gym, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

We propose a new benchmark environment for evaluating Reinforcement Learning (RL) algorithms: the PlayStation Learning Environment (PSXLE), a PlayStation emulator modified to expose a simple control API that enables rich game-state representations. We argue that the PlayStation serves as a suitable progression for agent evaluation and propose a framework for such an evaluation. We build an action-driven abstraction for a PlayStation game with support for the OpenAI Gym interface and demonstrate its use by running OpenAI Baselines.
Graph Neural Networks for Decentralized Multi-Robot Path Planning
Authors: Qing-Biao Li, Fernando Gama, Alejandro Ribeiro, Amanda Prorok
Date: 2019-12-12 00:00:00
Tasks: Decision Making, Graph Neural Network

Effective communication is key to successful, decentralized, multi-robot path planning. Yet, it is far from obvious what information is crucial to the task at hand, and how and when it must be shared among robots. To side-step these issues and move beyond hand-crafted heuristics, we propose a combined model that automatically synthesizes local communication and decision-making policies for robots navigating in constrained workspaces. Our architecture is composed of a convolutional neural network (CNN) that extracts adequate features from local observations, and a graph neural network (GNN) that communicates these features among robots. We train the model to imitate an expert algorithm, and use the resulting model online in decentralized planning involving only local communication and local observations. We evaluate our method in simulations {by navigating teams of robots to their destinations in 2D} cluttered workspaces. We measure the success rates and sum of costs over the planned paths. The results show a performance close to that of our expert algorithm, demonstrating the validity of our approach. In particular, we show our model's capability to generalize to previously unseen cases (involving larger environments and larger robot teams).
Learning to Reach Goals via Iterated Supervised Learning
Authors: Dibya Ghosh, Abhishek Gupta, Ashwin Reddy, Justin Fu, Coline Devin, Benjamin Eysenbach, Sergey Levine
Date: 2019-12-12 00:00:00
Proceeding: ICLR 2021 1
Tasks: Multi-Goal Reinforcement Learning, Reinforcement Learning, Reinforcement Learning (RL)

Current reinforcement learning (RL) algorithms can be brittle and difficult to use, especially when learning goal-reaching behaviors from sparse rewards. Although supervised imitation learning provides a simple and stable alternative, it requires access to demonstrations from a human supervisor. In this paper, we study RL algorithms that use imitation learning to acquire goal reaching policies from scratch, without the need for expert demonstrations or a value function. In lieu of demonstrations, we leverage the property that any trajectory is a successful demonstration for reaching the final state in that same trajectory. We propose a simple algorithm in which an agent continually relabels and imitates the trajectories it generates to progressively learn goal-reaching behaviors from scratch. Each iteration, the agent collects new trajectories using the latest policy, and maximizes the likelihood of the actions along these trajectories under the goal that was actually reached, so as to improve the policy. We formally show that this iterated supervised learning procedure optimizes a bound on the RL objective, derive performance bounds of the learned policy, and empirically demonstrate improved goal-reaching performance and robustness over current RL algorithms in several benchmark tasks.
Attention network forecasts time-to-failure in laboratory shear experiments
Authors: Hope Jasperson, David C. Bolton, Paul Johnson, Robert Guyer, Chris Marone, Maarten V. de Hoop
Date: 2019-12-12 00:00:00
Tasks: Clustering, General Classification, Quantization

Rocks under stress deform by creep mechanisms that include formation and slip on small-scale internal cracks. Intragranular cracks and slip along grain contacts release energy as elastic waves termed acoustic emissions (AE). AEs are thought to contain predictive information that can be used for fault failure forecasting. Here we present a method using unsupervised classification and an attention network to forecast labquakes using AE waveform features. Our data were generated in a laboratory setting using a biaxial shearing device with granular fault gouge intended to mimic the conditions of tectonic faults. Here we analyzed the temporal evolution of AEs generated throughout several hundred laboratory earthquake cycles. We used a Conscience Self-Organizing Map (CSOM) to perform topologically ordered vector quantization based on waveform properties. The resulting map was used to interactively cluster AEs. We examined the clusters over time to identify those with predictive ability. Finally, we used a variety of LSTM and attention-based networks to test the predictive power of the AE clusters. By tracking cumulative waveform features over the seismic cycle, the network is able to forecast the time-to-failure (TTF) of lab earthquakes. Our results show that analyzing the data to isolate predictive signals and using a more sophisticated network architecture are key to robustly forecasting labquakes. In the future, this method could be applied on tectonic faults monitor earthquakes and augment current early warning systems.