pwc-archive/papers-with-abstracts huggingface dataset:
Machine learning for molecular simulation
Authors: Frank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, Cecilia Clementi
Date: 2019-11-07 00:00:00
Tasks: BIG-bench Machine Learning

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the application of existing ML methods. Here we review recent ML methods for molecular simulation, with particular focus on (deep) neural networks for the prediction of quantum-mechanical energies and forces, coarse-grained molecular dynamics, the extraction of free energy surfaces and kinetics and generative network approaches to sample molecular equilibrium structures and compute thermodynamics. To explain these methods and illustrate open methodological problems, we review some important principles of molecular physics and describe how they can be incorporated into machine learning structures. Finally, we identify and describe a list of open challenges for the interface between ML and molecular simulation.
Active Multi-Label Crowd Consensus
Authors: Jinzheng Tu, Guoxian Yu, Carlotta Domeniconi, Jun Wang, Xiangliang Zhang
Date: 2019-11-07 00:00:00
Tasks: Triplet

Crowdsourcing is an economic and efficient strategy aimed at collecting annotations of data through an online platform. Crowd workers with different expertise are paid for their service, and the task requester usually has a limited budget. How to collect reliable annotations for multi-label data and how to compute the consensus within budget is an interesting and challenging, but rarely studied, problem. In this paper, we propose a novel approach to accomplish Active Multi-label Crowd Consensus (AMCC). AMCC accounts for the commonality and individuality of workers, and assumes that workers can be organized into different groups. Each group includes a set of workers who share a similar annotation behavior and label correlations. To achieve an effective multi-label consensus, AMCC models workers' annotations via a linear combination of commonality and individuality, and reduces the impact of unreliable workers by assigning smaller weights to the group. To collect reliable annotations with reduced cost, AMCC introduces an active crowdsourcing learning strategy that selects sample-label-worker triplets. In a triplet, the selected sample and label are the most informative for the consensus model, and the selected worker can reliably annotate the sample with low cost. Our experimental results on multi-label datasets demonstrate the advantages of AMCC over state-of-the-art solutions on computing crowd consensus and on reducing the budget by choosing cost-effective triplets.
S2ORC: The Semantic Scholar Open Research Corpus
Authors: Kyle Lo, Lucy Lu Wang, Mark Neumann, Rodney Kinney, Dan S. Weld
Date: 2019-11-07 00:00:00
Proceeding: ACL 2020 6
Tasks: Language Modelling

We introduce S2ORC, a large corpus of 81.1M English-language academic papers spanning many academic disciplines. The corpus consists of rich metadata, paper abstracts, resolved bibliographic references, as well as structured full text for 8.1M open access papers. Full text is annotated with automatically-detected inline mentions of citations, figures, and tables, each linked to their corresponding paper objects. In S2ORC, we aggregate papers from hundreds of academic publishers and digital archives into a unified source, and create the largest publicly-available collection of machine-readable academic text to date. We hope this resource will facilitate research and development of tools and tasks for text mining over academic text.
Linear Constrained Rayleigh Quotient Optimization: Theory and Algorithms
Authors: Yunshen Zhou, Zhaojun Bai, Ren-cang Li
Date: 2019-11-07 00:00:00
Tasks: Clustering, Constrained Clustering

We consider the following constrained Rayleigh quotient optimization problem (CRQopt) $$ \min_{x\in \mathbb{R}^n} x^{T}Ax\,\,\mbox{subject to}\,\, x^{T}x=1\,\mbox{and}\,C^{T}x=b, $$ where $A$ is an $n\times n$ real symmetric matrix and $C$ is an $n\times m$ real matrix. Usually, $m\ll n$. The problem is also known as the constrained eigenvalue problem in the literature because it becomes an eigenvalue problem if the linear constraint $C^{T}x=b$ is removed. We start by equivalently transforming CRQopt into an optimization problem, called LGopt, of minimizing the Lagrangian multiplier of CRQopt, and then an problem, called QEPmin, of finding the smallest eigenvalue of a quadratic eigenvalue problem. Although such equivalences has been discussed in the literature, it appears to be the first time that these equivalences are rigorously justified. Then we propose to numerically solve LGopt and QEPmin by the Krylov subspace projection method via the Lanczos process. The basic idea, as the Lanczos method for the symmetric eigenvalue problem, is to first reduce LGopt and QEPmin by projecting them onto Krylov subspaces to yield problems of the same types but of much smaller sizes, and then solve the reduced problems by some direct methods, which is either a secular equation solver (in the case of LGopt) or an eigensolver (in the case of QEPmin). The resulting algorithm is called the Lanczos algorithm. We perform convergence analysis for the proposed method and obtain error bounds. The sharpness of the error bound is demonstrated by artificial examples, although in applications the method often converges much faster than the bounds suggest. Finally, we apply the Lanczos algorithm to semi-supervised learning in the context of constrained clustering.
Confidence Intervals for Policy Evaluation in Adaptive Experiments
Authors: Vitor Hadad, David A. Hirshberg, Ruohan Zhan, Stefan Wager, Susan Athey
Date: 2019-11-07 00:00:00
Tasks: Experimental Design, Multi-Armed Bandits

Adaptive experiment designs can dramatically improve statistical efficiency in randomized trials, but they also complicate statistical inference. For example, it is now well known that the sample mean is biased in adaptive trials. Inferential challenges are exacerbated when our parameter of interest differs from the parameter the trial was designed to target, such as when we are interested in estimating the value of a sub-optimal treatment after running a trial to determine the optimal treatment using a stochastic bandit design. In this context, typical estimators that use inverse propensity weighting to eliminate sampling bias can be problematic: their distributions become skewed and heavy-tailed as the propensity scores decay to zero. In this paper, we present a class of estimators that overcome these issues. Our approach is to adaptively reweight the terms of an augmented inverse propensity weighting estimator to control the contribution of each term to the estimator's variance. This adaptive weighting scheme prevents estimates from becoming heavy-tailed, ensuring asymptotically correct coverage. It also reduces variance, allowing us to test hypotheses with greater power - especially hypotheses that were not targeted by the experimental design. We validate the accuracy of the resulting estimates and their confidence intervals in numerical experiments and show our methods compare favorably to existing alternatives in terms of RMSE and coverage.
Investigations of the Influences of a CNN's Receptive Field on Segmentation of Subnuclei of Bilateral Amygdalae
Authors: Han Bao
Date: 2019-11-07 00:00:00
Tasks: Segmentation

Segmentation of objects with various sizes is relatively less explored in medical imaging, and has been very challenging in computer vision tasks in general. We hypothesize that the receptive field of a deep model corresponds closely to the size of object to be segmented, which could critically influence the segmentation accuracy of objects with varied sizes. In this study, we employed "AmygNet", a dual-branch fully convolutional neural network (FCNN) with two different sizes of receptive fields, to investigate the effects of receptive field on segmenting four major subnuclei of bilateral amygdalae. The experiment was conducted on 14 subjects, which are all 3-dimensional MRI human brain images. Since the scale of different subnuclear groups are different, by investigating the accuracy of each subnuclear group while using receptive fields of various sizes, we may find which kind of receptive field is suitable for object of which scale respectively. In the given condition, AmygNet with multiple receptive fields presents great potential in segmenting objects of different sizes.
Automatic Tip Detection of Surgical Instruments in Biportal Endoscopic Spine Surgery
Authors: Sue Min Cho, Young-Gon Kim, Jinhoon Jeong, Ho-jin Lee, Namkug Kim
Date: 2019-11-07 00:00:00
Tasks: Deep Learning

Some endoscopic surgeries require a surgeon to hold the endoscope with one hand and the surgical instruments with the other hand to perform the actual surgery with correct vision. Recent technical advances in deep learning as well as in robotics can introduce robotics to these endoscopic surgeries. This can have numerous advantages by freeing one hand of the surgeon, which will allow the surgeon to use both hands and to use more intricate and sophisticated techniques. Recently, deep learning with convolutional neural network achieves state-of-the-art results in computer vision. Therefore, the aim of this study is to automatically detect the tip of the instrument, localize a point, and evaluate detection accuracy in biportal endoscopic spine surgery. The localized point could be used for the controller's inputs of robotic endoscopy in these types of endoscopic surgeries.
Sequence-Aware Factorization Machines for Temporal Predictive Analytics
Authors: Tong Chen, Hongzhi Yin, Quoc Viet Hung Nguyen, Wen-Chih Peng, Xue Li, Xiaofang Zhou
Date: 2019-11-07 00:00:00
Tasks: Recommendation Systems

In various web applications like targeted advertising and recommender systems, the available categorical features (e.g., product type) are often of great importance but sparse. As a widely adopted solution, models based on Factorization Machines (FMs) are capable of modelling high-order interactions among features for effective sparse predictive analytics. As the volume of web-scale data grows exponentially over time, sparse predictive analytics inevitably involves dynamic and sequential features. However, existing FM-based models assume no temporal orders in the data, and are unable to capture the sequential dependencies or patterns within the dynamic features, impeding the performance and adaptivity of these methods. Hence, in this paper, we propose a novel Sequence-Aware Factorization Machine (SeqFM) for temporal predictive analytics, which models feature interactions by fully investigating the effect of sequential dependencies. As static features (e.g., user gender) and dynamic features (e.g., user interacted items) express different semantics, we innovatively devise a multi-view self-attention scheme that separately models the effect of static features, dynamic features and the mutual interactions between static and dynamic features in three different views. In SeqFM, we further map the learned representations of feature interactions to the desired output with a shared residual network. To showcase the versatility and generalizability of SeqFM, we test SeqFM in three popular application scenarios for FM-based models, namely ranking, classification and regression tasks. Extensive experimental results on six large-scale datasets demonstrate the superior effectiveness and efficiency of SeqFM.
Incremental Text-to-Speech Synthesis with Prefix-to-Prefix Framework
Authors: Mingbo Ma, Baigong Zheng, Kaibo Liu, Renjie Zheng, Hairong Liu, Kainan Peng, Kenneth Church, Liang Huang
Date: 2019-11-07 00:00:00
Proceeding: Findings of the Association for Computational Linguistics 2020
Tasks: Sentence, Speech Synthesis, text-to-speech, Text to Speech, Text-To-Speech Synthesis, Translation

Text-to-speech synthesis (TTS) has witnessed rapid progress in recent years, where neural methods became capable of producing audios with high naturalness. However, these efforts still suffer from two types of latencies: (a) the {\em computational latency} (synthesizing time), which grows linearly with the sentence length even with parallel approaches, and (b) the {\em input latency} in scenarios where the input text is incrementally generated (such as in simultaneous translation, dialog generation, and assistive technologies). To reduce these latencies, we devise the first neural incremental TTS approach based on the recently proposed prefix-to-prefix framework. We synthesize speech in an online fashion, playing a segment of audio while generating the next, resulting in an $O(1)$ rather than $O(n)$ latency.
Sparse Coding on Cascaded Residuals
Authors: Tong Zhang, Fatih Porikli
Date: 2019-11-07 00:00:00
Tasks: Computational Efficiency, Denoising, Descriptive, Dictionary Learning

This paper seeks to combine dictionary learning and hierarchical image representation in a principled way. To make dictionary atoms capturing additional information from extended receptive fields and attain improved descriptive capacity, we present a two-pass multi-resolution cascade framework for dictionary learning and sparse coding. The cascade allows collaborative reconstructions at different resolutions using the same dimensional dictionary atoms. Our jointly learned dictionary comprises atoms that adapt to the information available at the coarsest layer where the support of atoms reaches their maximum range and the residual images where the supplementary details progressively refine the reconstruction objective. The residual at a layer is computed by the difference between the aggregated reconstructions of the previous layers and the downsampled original image at that layer. Our method generates more flexible and accurate representations using much less number of coefficients. Its computational efficiency stems from encoding at the coarsest resolution, which is minuscule, and encoding the residuals, which are relatively much sparse. Our extensive experiments on multiple datasets demonstrate that this new method is powerful in image coding, denoising, inpainting and artifact removal tasks outperforming the state-of-the-art techniques.
Query-bag Matching with Mutual Coverage for Information-seeking Conversations in E-commerce
Authors: Zhenxin Fu, Feng Ji, Wenpeng Hu, Wei Zhou, Dongyan Zhao, Haiqing Chen, Rui Yan
Date: 2019-11-07 00:00:00
Tasks: Text Matching

Information-seeking conversation system aims at satisfying the information needs of users through conversations. Text matching between a user query and a pre-collected question is an important part of the information-seeking conversation in E-commerce. In the practical scenario, a sort of questions always correspond to a same answer. Naturally, these questions can form a bag. Learning the matching between user query and bag directly may improve the conversation performance, denoted as query-bag matching. Inspired by such opinion, we propose a query-bag matching model which mainly utilizes the mutual coverage between query and bag and measures the degree of the content in the query mentioned by the bag, and vice verse. In addition, the learned bag representation in word level helps find the main points of a bag in a fine grade and promotes the query-bag matching performance. Experiments on two datasets show the effectiveness of our model.
PointDAN: A Multi-Scale 3D Domain Adaption Network for Point Cloud Representation
Authors: Can Qin, Haoxuan You, Lichen Wang, C. -C. Jay Kuo, Yun Fu
Date: 2019-11-07 00:00:00
Proceeding: NeurIPS 2019 12
Tasks: Domain Adaptation, Unsupervised Domain Adaptation

Domain Adaptation (DA) approaches achieved significant improvements in a wide range of machine learning and computer vision tasks (i.e., classification, detection, and segmentation). However, as far as we are aware, there are few methods yet to achieve domain adaptation directly on 3D point cloud data. The unique challenge of point cloud data lies in its abundant spatial geometric information, and the semantics of the whole object is contributed by including regional geometric structures. Specifically, most general-purpose DA methods that struggle for global feature alignment and ignore local geometric information are not suitable for 3D domain alignment. In this paper, we propose a novel 3D Domain Adaptation Network for point cloud data (PointDAN). PointDAN jointly aligns the global and local features in multi-level. For local alignment, we propose Self-Adaptive (SA) node module with an adjusted receptive field to model the discriminative local structures for aligning domains. To represent hierarchically scaled features, node-attention module is further introduced to weight the relationship of SA nodes across objects and domains. For global alignment, an adversarial-training strategy is employed to learn and align global features across domains. Since there is no common evaluation benchmark for 3D point cloud DA scenario, we build a general benchmark (i.e., PointDA-10) extracted from three popular 3D object/scene datasets (i.e., ModelNet, ShapeNet and ScanNet) for cross-domain 3D objects classification fashion. Extensive experiments on PointDA-10 illustrate the superiority of our model over the state-of-the-art general-purpose DA methods.
Accounting for Physics Uncertainty in Ultrasonic Wave Propagation using Deep Learning
Authors: Ishan D. Khurjekar, Joel B. Harley
Date: 2019-11-07 00:00:00
Tasks: Deep Learning

Ultrasonic guided waves are commonly used to localize structural damage in infrastructures such as buildings, airplanes, bridges. Damage localization can be viewed as an inverse problem. Physical model based techniques are popular for guided wave based damage localization. The performance of these techniques depend on the degree of faithfulness with which the physical model describes wave propagation. External factors such as environmental variations and random noise are a source of uncertainty in wave propagation. The physical modeling of uncertainty in an inverse problem is still a challenging problem. In this work, we propose a deep learning based model for robust damage localization in presence of uncertainty. Wave data with uncertainty is simulated to reflect variations due to external factors and Gaussian noise is added to reflect random noise in the environment. After evaluating the localization error on test data with uncertainty, we observe that the deep learning model trained with uncertainty can learn robust representations. The approach shows potential for dealing with uncertainty in physical science problems using deep learning models.
Detecting Driveable Area for Autonomous Vehicles
Authors: Niral Shah, Ashwin Shankar, Jae-hong Park
Date: 2019-11-07 00:00:00
Tasks: Autonomous Driving, Autonomous Vehicles, Region Proposal

Autonomous driving is a challenging problem where there is currently an intense focus on research and development. Human drivers are forced to make thousands of complex decisions in a short amount of time,quickly processing their surroundings and moving factors. One of these aspects, recognizing regions on the road that are driveable is vital to the success of any autonomous system. This problem can be addressed with deep learning framed as a region proposal problem. Utilizing a Mask R-CNN trained on the Berkeley Deep Drive (BDD100k) dataset, we aim to see if recognizing driveable areas, while also differentiating between the car's direct (current) lane and alternative lanes is feasible.
DCA: Diversified Co-Attention towards Informative Live Video Commenting
Authors: Zhihan Zhang, Zhiyi Yin, Shuhuai Ren, Xinhang Li, Shicheng Li
Date: 2019-11-07 00:00:00
Tasks: Comment Generation, Metric Learning

We focus on the task of Automatic Live Video Commenting (ALVC), which aims to generate real-time video comments with both video frames and other viewers' comments as inputs. A major challenge in this task is how to properly leverage the rich and diverse information carried by video and text. In this paper, we aim to collect diversified information from video and text for informative comment generation. To achieve this, we propose a Diversified Co-Attention (DCA) model for this task. Our model builds bidirectional interactions between video frames and surrounding comments from multiple perspectives via metric learning, to collect a diversified and informative context for comment generation. We also propose an effective parameter orthogonalization technique to avoid excessive overlap of information learned from different perspectives. Results show that our approach outperforms existing methods in the ALVC task, achieving new state-of-the-art results.
SubCharacter Chinese-English Neural Machine Translation with Wubi encoding
Authors: Wei Zhang, Feifei Lin, Xiaodong Wang, Zhenshuang Liang, Zhen Huang
Date: 2019-11-07 00:00:00
Tasks: Machine Translation, Model Compression, NMT, Translation

Neural machine translation (NMT) is one of the best methods for understanding the differences in semantic rules between two languages. Especially for Indo-European languages, subword-level models have achieved impressive results. However, when the translation task involves Chinese, semantic granularity remains at the word and character level, so there is still need more fine-grained translation model of Chinese. In this paper, we introduce a simple and effective method for Chinese translation at the sub-character level. Our approach uses the Wubi method to translate Chinese into English; byte-pair encoding (BPE) is then applied. Our method for Chinese-English translation eliminates the need for a complicated word segmentation algorithm during preprocessing. Furthermore, our method allows for sub-character-level neural translation based on recurrent neural network (RNN) architecture, without preprocessing. The empirical results show that for Chinese-English translation tasks, our sub-character-level model has a comparable BLEU score to the subword model, despite having a much smaller vocabulary. Additionally, the small vocabulary is highly advantageous for NMT model compression.
Analysis of CNN-based remote-PPG to understand limitations and sensitivities
Authors: Qi Zhan, Wenjin Wang, Gerard de Haan
Date: 2019-11-07 00:00:00
Tasks: Photoplethysmography (PPG)

Deep learning based on Convolutional Neural Network (CNN) has shown promising results in various vision-based applications, recently also in camera-based vital signs monitoring. The CNN-based Photoplethysmography (PPG) extraction has, so far, been focused on performance rather than understanding. In this paper, we try to answer four questions with experiments aiming at improving our understanding of this methodology as it gains popularity. We conclude that the network exploits the blood absorption variation to extract the physiological signals, and that the choice and parameters (phase, spectral content, etc.) of the reference-signal may be more critical than anticipated. The availability of multiple convolutional kernels is necessary for CNN to arrive at a flexible channel combination through the spatial operation, but may not provide the same motion-robustness as a multi-site measurement using knowledge-based PPG extraction. Finally, we conclude that the PPG-related prior knowledge is still helpful for the CNN-based PPG extraction. Consequently, we recommend further investigation of hybrid CNN-based methods to include prior knowledge in their design.