pwc-archive/papers-with-abstracts huggingface dataset:
Recreation of the Periodic Table with an Unsupervised Machine Learning Algorithm
Authors: Minoru Kusaba, Chang Liu, Yukinori Koyama, Kiyoyuki Terakura, Ryo Yoshida
Date: 2019-12-23 00:00:00
Tasks: BIG-bench Machine Learning, Translation

In 1869, the first draft of the periodic table was published by Russian chemist Dmitri Mendeleev. In terms of data science, his achievement can be viewed as a successful example of feature embedding based on human cognition: chemical properties of all known elements at that time were compressed onto the two-dimensional grid system for tabular display. In this study, we seek to answer the question of whether machine learning can reproduce or recreate the periodic table by using observed physicochemical properties of the elements. To achieve this goal, we developed a periodic table generator (PTG). The PTG is an unsupervised machine learning algorithm based on the generative topographic mapping (GTM), which can automate the translation of high-dimensional data into a tabular form with varying layouts on-demand. The PTG autonomously produced various arrangements of chemical symbols, which organized a two-dimensional array such as Mendeleev's periodic table or three-dimensional spiral table according to the underlying periodicity in the given data. We further showed what the PTG learned from the element data and how the element features, such as melting point and electronegativity, are compressed to the lower-dimensional latent spaces.
Learning Variable Ordering Heuristics for Solving Constraint Satisfaction Problems
Authors: Wen Song, Zhiguang Cao, Jie Zhang, Andrew Lim
Date: 2019-12-23 00:00:00
Tasks: Deep Reinforcement Learning, Graph Neural Network, Reinforcement Learning

Backtracking search algorithms are often used to solve the Constraint Satisfaction Problem (CSP). The efficiency of backtracking search depends greatly on the variable ordering heuristics. Currently, the most commonly used heuristics are hand-crafted based on expert knowledge. In this paper, we propose a deep reinforcement learning based approach to automatically discover new variable ordering heuristics that are better adapted for a given class of CSP instances. We show that directly optimizing the search cost is hard for bootstrapping, and propose to optimize the expected cost of reaching a leaf node in the search tree. To capture the complex relations among the variables and constraints, we design a representation scheme based on Graph Neural Network that can process CSP instances with different sizes and constraint arities. Experimental results on random CSP instances show that the learned policies outperform classical hand-crafted heuristics in terms of minimizing the search tree size, and can effectively generalize to instances that are larger than those used in training.
An improper estimator with optimal excess risk in misspecified density estimation and logistic regression
Authors: Jaouad Mourtada, Stéphane Gaïffas
Date: 2019-12-23 00:00:00
Tasks: Density Estimation, regression, valid

We introduce a procedure for conditional density estimation under logarithmic loss, which we call SMP (Sample Minmax Predictor). This estimator minimizes a new general excess risk bound for statistical learning. On standard examples, this bound scales as $d/n$ with $d$ the model dimension and $n$ the sample size, and critically remains valid under model misspecification. Being an improper (out-of-model) procedure, SMP improves over within-model estimators such as the maximum likelihood estimator, whose excess risk degrades under misspecification. Compared to approaches reducing to the sequential problem, our bounds remove suboptimal $\log n$ factors and can handle unbounded classes. For the Gaussian linear model, the predictions and risk bound of SMP are governed by leverage scores of covariates, nearly matching the optimal risk in the well-specified case without conditions on the noise variance or approximation error of the linear model. For logistic regression, SMP provides a non-Bayesian approach to calibration of probabilistic predictions relying on virtual samples, and can be computed by solving two logistic regressions. It achieves a non-asymptotic excess risk of $O((d + B^2R^2)/n)$, where $R$ bounds the norm of features and $B$ that of the comparison parameter; by contrast, no within-model estimator can achieve better rate than $\min({B R}/{\sqrt{n}}, {d e^{BR}}/{n} )$ in general. This provides a more practical alternative to Bayesian approaches, which require approximate posterior sampling, thereby partly addressing a question raised by Foster et al. (2018).
Discovering Protagonist of Sentiment with Aspect Reconstructed Capsule Network
Authors: Chi Xu, Hao Feng, Guoxin Yu, Min Yang, Xiting Wang, Xiang Ao
Date: 2019-12-23 00:00:00
Tasks: Sentence, Sentiment Analysis

Most recent existing aspect-term level sentiment analysis (ATSA) approaches combined various neural network models with delicately carved attention mechanisms built upon given aspect and context to generate refined sentence representations for better predictions. In these methods, aspect terms are always provided in both training and testing process which may degrade aspect-level analysis into sentence-level prediction. However, the annotated aspect term might be unavailable in real-world scenarios which may challenge the applicability of the existing methods. In this paper, we aim to improve ATSA by discovering the potential aspect terms of the predicted sentiment polarity when the aspect terms of a test sentence are unknown. We access this goal by proposing a capsule network based model named CAPSAR. In CAPSAR, sentiment categories are denoted by capsules and aspect term information is injected into sentiment capsules through a sentiment-aspect reconstruction procedure during the training. As a result, coherent patterns between aspects and sentimental expressions are encapsulated by these sentiment capsules. Experiments on three widely used benchmarks demonstrate these patterns have potential in exploring aspect terms from test sentence when only feeding the sentence to the model. Meanwhile, the proposed CAPSAR can clearly outperform SOTA methods in standard ATSA tasks.
Learned Interpolation for 3D Generation
Authors: Austin Dill, Songwei Ge, Eunsu Kang, Chun-Liang Li, Barnabas Poczos
Date: 2019-12-08 00:00:00
Tasks: 3D Generation

In order to generate novel 3D shapes with machine learning, one must allow for interpolation. The typical approach for incorporating this creative process is to interpolate in a learned latent space so as to avoid the problem of generating unrealistic instances by exploiting the model's learned structure. The process of the interpolation is supposed to form a semantically smooth morphing. While this approach is sound for synthesizing realistic media such as lifelike portraits or new designs for everyday objects, it subjectively fails to directly model the unexpected, unrealistic, or creative. In this work, we present a method for learning how to interpolate point clouds. By encoding prior knowledge about real-world objects, the intermediate forms are both realistic and unlike any existing forms. We show not only how this method can be used to generate "creative" point clouds, but how the method can also be leveraged to generate 3D models suitable for sculpture.
Discriminative Robust Deep Dictionary Learning for Hyperspectral Image Classification
Authors: Vanika Singhal, Hemant K. Aggarwal, Snigdha Tariyal, Angshul Majumdar
Date: 2019-12-11 00:00:00
Tasks: Classification, Deep Learning, Dictionary Learning, General Classification, Hyperspectral Image Classification, image-classification, Image Classification

This work proposes a new framework for deep learning that has been particularly tailored for hyperspectral image classification. We learn multiple levels of dictionaries in a robust fashion. The last layer is discriminative that learns a linear classifier. The training proceeds greedily, at a time a single level of dictionary is learnt and the coefficients used to train the next level. The coefficients from the final level are used for classification. Robustness is incorporated by minimizing the absolute deviations instead of the more popular Euclidean norm. The inbuilt robustness helps combat mixed noise (Gaussian and sparse) present in hyperspectral images. Results show that our proposed techniques outperforms all other deep learning methods Deep Belief Network (DBN), Stacked Autoencoder (SAE) and Convolutional Neural Network (CNN). The experiments have been carried out on benchmark hyperspectral imaging datasets.
Row-Sparse Discriminative Deep Dictionary Learning for Hyperspectral Image Classification
Authors: Vanika Singhal, Angshul Majumdar
Date: 2019-12-11 00:00:00
Tasks: Classification, Dictionary Learning, General Classification, Hyperspectral Image Classification, image-classification, Image Classification

In recent studies in hyperspectral imaging, biometrics and energy analytics, the framework of deep dictionary learning has shown promise. Deep dictionary learning outperforms other traditional deep learning tools when training data is limited; therefore hyperspectral imaging is one such example that benefits from this framework. Most of the prior studies were based on the unsupervised formulation; and in all cases, the training algorithm was greedy and hence sub-optimal. This is the first work that shows how to learn the deep dictionary learning problem in a joint fashion. Moreover, we propose a new discriminative penalty to the said framework. The third contribution of this work is showing how to incorporate stochastic regularization techniques into the deep dictionary learning framework. Experimental results on hyperspectral image classification shows that the proposed technique excels over all state-of-the-art deep and shallow (traditional) learning based methods published in recent times.
Reconstruction of Gene Regulatory Networks usingMultiple Datasets
Authors: Mehrzad Saremi, Maryam Amirmazlaghani
Date: 2019-12-19 00:00:00

Motivation: Laboratory gene regulatory data for a species are sporadic. Despite the abundance of gene regulatory network algorithms that employ single data sets, few algorithms can combine the vast but disperse sources of data and extract the potential information. With a motivation to compensate for this shortage, we developed an algorithm called GENEREF that can accumulate information from multiple types of data sets in an iterative manner, with each iteration boosting the performance of the prediction results. Results: The algorithm is examined extensively on data extracted from the quintuple DREAM4 networks and DREAM5's Escherichia coli and Saccharomyces cerevisiae networks and sub-networks. Many single-dataset and multi-dataset algorithms were compared to test the performance of the algorithm. Results show that GENEREF surpasses non-ensemble state-of-the-art multi-perturbation algorithms on the selected networks and is competitive to present multiple-dataset algorithms. Specifically, it outperforms dynGENIE3 and is on par with iRafNet. Also, we argued that a scoring method solely based on the AUPR criterion would be more trustworthy than the traditional score. Availability: The Python implementation along with the data sets and results can be downloaded from github.com/msaremi/GENEREF
Wykorzystanie sztucznej inteligencji do generowania treści muzycznych
Authors: Mateusz Dorobek
Date: 2019-12-15 00:00:00
Tasks: Generative Adversarial Network

This thesis is presenting a method for generating short musical phrases using a deep convolutional generative adversarial network (DCGAN). To train neural network were used datasets of classical and jazz music MIDI recordings. Our approach introduces translating the MIDI data into graphical images in a piano roll format suitable for the network input size, using the RGB channels as additional information carriers for improved performance. The network has learned to generate images that are indistinguishable from the input data and, when translated back to MIDI and played back, include several musically interesting rhythmic and harmonic structures. The results of the conducted experiments are described and discussed, with conclusions for further work and a short comparison with selected existing solutions.
DeepHashing using TripletLoss
Authors: Jithin James
Date: 2019-12-17 00:00:00
Tasks: Deep Hashing, Image Retrieval, Retrieval, Triplet

Hashing is one of the most efficient techniques for approximate nearest neighbour search for large scale image retrieval. Most of the techniques are based on hand-engineered features and do not give optimal results all the time. Deep Convolutional Neural Networks have proven to generate very effective representation of images that are used for various computer vision tasks and inspired by this there have been several Deep Hashing models like Wang et al. (2016) have been proposed. These models train on the triplet loss function which can be used to train models with superior representation capabilities. Taking the latest advancements in training using the triplet loss I propose new techniques that help the Deep Hash-ing models train more faster and efficiently. Experiment result1show that using the more efficient techniques for training on the triplet loss, we have obtained a 5%percent improvement in our model compared to the original work of Wang et al.(2016). Using a larger model and more training data we can drastically improve the performance using the techniques we propose
A New Ensemble Method for Concessively Targeted Multi-model Attack
Authors: Ziwen He, Wei Wang, Xinsheng Xuan, Jing Dong, Tieniu Tan
Date: 2019-12-19 00:00:00
Tasks: image-classification, Image Classification

It is well known that deep learning models are vulnerable to adversarial examples crafted by maliciously adding perturbations to original inputs. There are two types of attacks: targeted attack and non-targeted attack, and most researchers often pay more attention to the targeted adversarial examples. However, targeted attack has a low success rate, especially when aiming at a robust model or under a black-box attack protocol. In this case, non-targeted attack is the last chance to disable AI systems. Thus, in this paper, we propose a new attack mechanism which performs the non-targeted attack when the targeted attack fails. Besides, we aim to generate a single adversarial sample for different deployed models of the same task, e.g. image classification models. Hence, for this practical application, we focus on attacking ensemble models by dividing them into two groups: easy-to-attack and robust models. We alternately attack these two groups of models in the non-targeted or targeted manner. We name it a bagging and stacking ensemble (BAST) attack. The BAST attack can generate an adversarial sample that fails multiple models simultaneously. Some of the models classify the adversarial sample as a target label, and other models which are not attacked successfully may give wrong labels at least. The experimental results show that the proposed BAST attack outperforms the state-of-the-art attack methods on the new defined criterion that considers both targeted and non-targeted attack performance.
Random CapsNet Forest Model for Imbalanced Malware Type Classification Task
Authors: Aykut Çayır, Uğur Ünal, Hasan Dağ
Date: 2019-12-20 00:00:00
Tasks: Classification, Deep Learning, Feature Engineering, General Classification, Vocal Bursts Type Prediction

Behavior of a malware varies with respect to malware types. Therefore,knowing type of a malware affects strategies of system protection softwares. Many malware type classification models empowered by machine and deep learning achieve superior accuracies to predict malware types.Machine learning based models need to do heavy feature engineering and feature engineering is dominantly effecting performance of models.On the other hand, deep learning based models require less feature engineering than machine learning based models. However, traditional deep learning architectures and components cause very complex and data sensitive models. Capsule network architecture minimizes this complexity and data sensitivity unlike classical convolutional neural network architectures. This paper proposes an ensemble capsule network model based on bootstrap aggregating technique. The proposed method are tested on two malware datasets, whose the-state-of-the-art results are well-known.
Analyzing an Imitation Learning Network for Fundus Image Registration Using a Divide-and-Conquer Approach
Authors: Siming Bayer, Xia Zhong, Weilin Fu, Nishant Ravikumar, Andreas Maier
Date: 2019-12-19 00:00:00
Tasks: Image Registration, Image Stitching, Imitation Learning, Super-Resolution

Comparison of microvascular circulation on fundoscopic images is a non-invasive clinical indication for the diagnosis and monitoring of diseases, such as diabetes and hypertensions. The differences between intra-patient images can be assessed quantitatively by registering serial acquisitions. Due to the variability of the images (i.e. contrast, luminosity) and the anatomical changes of the retina, the registration of fundus images remains a challenging task. Recently, several deep learning approaches have been proposed to register fundus images in an end-to-end fashion, achieving remarkable results. However, the results are difficult to interpret and analyze. In this work, we propose an imitation learning framework for the registration of 2D color funduscopic images for a wide range of applications such as disease monitoring, image stitching and super-resolution. We follow a divide-and-conquer approach to improve the interpretability of the proposed network, and analyze both the influence of the input image and the hyperparameters on the registration result. The results show that the proposed registration network reduces the initial target registration error up to 95\%.
BioConceptVec: creating and evaluating literature-based biomedical concept embeddings on a large scale
Authors: Qingyu Chen, Kyubum Lee, Shankai Yan, Sun Kim, Chih-Hsuan Wei, Zhiyong Lu
Date: 2019-12-23 00:00:00

Capturing the semantics of related biological concepts, such as genes and mutations, is of significant importance to many research tasks in computational biology such as protein-protein interaction detection, gene-drug association prediction, and biomedical literature-based discovery. Here, we propose to leverage state-of-the-art text mining tools and machine learning models to learn the semantics via vector representations (aka. embeddings) of over 400,000 biological concepts mentioned in the entire PubMed abstracts. Our learned embeddings, namely BioConceptVec, can capture related concepts based on their surrounding contextual information in the literature, which is beyond exact term match or co-occurrence-based methods. BioConceptVec has been thoroughly evaluated in multiple bioinformatics tasks consisting of over 25 million instances from nine different biological datasets. The evaluation results demonstrate that BioConceptVec has better performance than existing methods in all tasks. Finally, BioConceptVec is made freely available to the research community and general public via https://github.com/ncbi-nlp/BioConceptVec.
What do Asian Religions Have in Common? An Unsupervised Text Analytics Exploration
Authors: Preeti Sah, Ernest Fokoué
Date: 2019-12-20 00:00:00
Tasks: Clustering

The main source of various religious teachings is their sacred texts which vary from religion to religion based on different factors like the geographical location or time of the birth of a particular religion. Despite these differences, there could be similarities between the sacred texts based on what lessons it teaches to its followers. This paper attempts to find the similarity using text mining techniques. The corpus consisting of Asian (Tao Te Ching, Buddhism, Yogasutra, Upanishad) and non-Asian (four Bible texts) is used to explore findings of similarity measures like Euclidean, Manhattan, Jaccard and Cosine on raw Document Term Frequency [DTM], normalized DTM which reveals similarity based on word usage. The performance of Supervised learning algorithms like K-Nearest Neighbor [KNN], Support Vector Machine [SVM] and Random Forest is measured based on its accuracy to predict correct scared text for any given chapter in the corpus. The K-means clustering visualizations on Euclidean distances of raw DTM reveals that there exists a pattern of similarity among these sacred texts with Upanishads and Tao Te Ching is the most similar text in the corpus.
Bayesian machine learning for Boltzmann machine in quantum-enhanced feature spaces
Authors: Yusen Wu, Chao-hua Yu, Sujuan Qin, Qiaoyan Wen, Fei Gao
Date: 2019-12-20 00:00:00
Tasks: BIG-bench Machine Learning

Bayesian learning is ubiquitous for implementing classification and regression tasks, however, it is accompanied by computationally intractable limitations when the feature spaces become extremely large. Aiming to solve this problem, we develop a quantum bayesian learning framework of the restricted Boltzmann machine in the quantum-enhanced feature spaces. Our framework provides the encoding phase to map the real data and Boltzmann weight onto the quantum feature spaces and the training phase to learn an optimal inference function. Specifically, the training phase provides a physical quantity to measure the posterior distribution in quantum feature spaces, and this measure is utilized to design the quantum maximum a posterior (QMAP) algorithm and the quantum predictive distribution estimator (QPDE). It is shown that both quantum algorithms achieve exponential speed-up over their classical counterparts. Furthermore, it is interesting to note that our framework can figure out the classical bayesian learning tasks, i.e. processing the classical data and outputting corresponding classical labels. And a simulation, which is performed on an open-source software framework for quantum computing, illustrates that our algorithms show almost the same classification performance compared to their classical counterparts. Noting that the proposed quantum algorithms utilize the shallow circuit, our work is expected to be implemented on the noisy intermediate-scale quantum (NISQ) devices, and is one of the promising candidates to achieve quantum supremacy.
Tensor Basis Gaussian Process Models of Hyperelastic Materials
Authors: Ari Frankel, Reese Jones, Laura Swiler
Date: 2019-12-23 00:00:00
Tasks: GPR, Physics-informed machine learning

In this work, we develop Gaussian process regression (GPR) models of hyperelastic material behavior. First, we consider the direct approach of modeling the components of the Cauchy stress tensor as a function of the components of the Finger stretch tensor in a Gaussian process. We then consider an improvement on this approach that embeds rotational invariance of the stress-stretch constitutive relation in the GPR representation. This approach requires fewer training examples and achieves higher accuracy while maintaining invariance to rotations exactly. Finally, we consider an approach that recovers the strain-energy density function and derives the stress tensor from this potential. Although the error of this model for predicting the stress tensor is higher, the strain-energy density is recovered with high accuracy from limited training data. The approaches presented here are examples of physics-informed machine learning. They go beyond purely data-driven approaches by embedding the physical system constraints directly into the Gaussian process representation of materials models.