pwc-archive/papers-with-abstracts huggingface dataset:
Silhouettes and quasi residual plots for neural nets and tree-based classifiers
Authors: Jakob Raymaekers, Peter J. Rousseeuw
Date: 2021-06-16 00:00:00

Classification by neural nets and by tree-based methods are powerful tools of machine learning. There exist interesting visualizations of the inner workings of these and other classifiers. Here we pursue a different goal, which is to visualize the cases being classified, either in training data or in test data. An important aspect is whether a case has been classified to its given class (label) or whether the classifier wants to assign it to different class. This is reflected in the (conditional and posterior) probability of the alternative class (PAC). A high PAC indicates label bias, i.e. the possibility that the case was mislabeled. The PAC is used to construct a silhouette plot which is similar in spirit to the silhouette plot for cluster analysis (Rousseeuw, 1987). The average silhouette width can be used to compare different classifications of the same dataset. We will also draw quasi residual plots of the PAC versus a data feature, which may lead to more insight in the data. One of these data features is how far each case lies from its given class. The graphical displays are illustrated and interpreted on benchmark data sets containing images, mixed features, and tweets.
Comparison of Outlier Detection Techniques for Structured Data
Authors: Amulya Agarwal, Nitin Gupta
Date: 2021-06-16 00:00:00
Tasks: BIG-bench Machine Learning, Outlier Detection

An outlier is an observation or a data point that is far from rest of the data points in a given dataset or we can be said that an outlier is away from the center of mass of observations. Presence of outliers can skew statistical measures and data distributions which can lead to misleading representation of the underlying data and relationships. It is seen that the removal of outliers from the training dataset before modeling can give better predictions. With the advancement of machine learning, the outlier detection models are also advancing at a good pace. The goal of this work is to highlight and compare some of the existing outlier detection techniques for the data scientists to use that information for outlier algorithm selection while building a machine learning model.
Analysis and Optimisation of Bellman Residual Errors with Neural Function Approximation
Authors: Martin Gottwald, Sven Gronauer, Hao Shen, Klaus Diepold
Date: 2021-06-16 00:00:00
Tasks: continuous-control, Continuous Control, Deep Reinforcement Learning

Recent development of Deep Reinforcement Learning (DRL) has demonstrated superior performance of neural networks in solving challenging problems with large or even continuous state spaces. One specific approach is to deploy neural networks to approximate value functions by minimising the Mean Squared Bellman Error (MSBE) function. Despite great successes of DRL, development of reliable and efficient numerical algorithms to minimise the MSBE is still of great scientific interest and practical demand. Such a challenge is partially due to the underlying optimisation problem being highly non-convex or using incomplete gradient information as done in Semi-Gradient algorithms. In this work, we analyse the MSBE from a smooth optimisation perspective and develop an efficient Approximate Newton's algorithm. First, we conduct a critical point analysis of the error function and provide technical insights on optimisation and design choices for neural networks. When the existence of global minima is assumed and the objective fulfils certain conditions, suboptimal local minima can be avoided when using over-parametrised neural networks. We construct a Gauss Newton Residual Gradient algorithm based on the analysis in two variations. The first variation applies to discrete state spaces and exact learning. We confirm theoretical properties of this algorithm such as being locally quadratically convergent to a global minimum numerically. The second employs sampling and can be used in the continuous setting. We demonstrate feasibility and generalisation capabilities of the proposed algorithm empirically using continuous control problems and provide a numerical verification of our critical point analysis. We outline the difficulties of combining Semi-Gradient approaches with Hessian information. To benefit from second-order information complete derivatives of the MSBE must be considered during training.
To Raise or Not To Raise: The Autonomous Learning Rate Question
Authors: Xiaomeng Dong, Tao Tan, Michael Potter, Yun-chan Tsai, Gaurav Kumar, V. Ratna Saripalli, Theodore Trafalis
Date: 2021-06-16 00:00:00
Tasks: ARC

There is a parameter ubiquitous throughout the deep learning world: learning rate. There is likewise a ubiquitous question: what should that learning rate be? The true answer to this question is often tedious and time consuming to obtain, and a great deal of arcane knowledge has accumulated in recent years over how to pick and modify learning rates to achieve optimal training performance. Moreover, the long hours spent carefully crafting the perfect learning rate can come to nothing the moment your network architecture, optimizer, dataset, or initial conditions change ever so slightly. But it need not be this way. We propose a new answer to the great learning rate question: the Autonomous Learning Rate Controller. Find it at https://github.com/fastestimator/ARC/tree/v2.0
Optimizing Data Augmentation Policy Through Random Unidimensional Search
Authors: Xiaomeng Dong, Michael Potter, Gaurav Kumar, Yun-chan Tsai, V. Ratna Saripalli, Theodore Trafalis
Date: 2021-06-16 00:00:00
Tasks: Data Augmentation

It is no secret amongst deep learning researchers that finding the optimal data augmentation strategy during training can mean the difference between state-of-the-art performance and a run-of-the-mill result. To that end, the community has seen many efforts to automate the process of finding the perfect augmentation procedure for any task at hand. Unfortunately, even recent cutting-edge methods bring massive computational overhead, requiring as many as 100 full model trainings to settle on an ideal configuration. We show how to achieve equivalent performance using just 6 trainings with Random Unidimensional Augmentation. Source code is available at https://github.com/fastestimator/RUA/tree/v1.0
Quasi-Bayesian Dual Instrumental Variable Regression
Authors: Ziyu Wang, Yuhao Zhou, Tongzheng Ren, Jun Zhu
Date: 2021-06-16 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Bayesian Inference, regression, Uncertainty Quantification

Recent years have witnessed an upsurge of interest in employing flexible machine learning models for instrumental variable (IV) regression, but the development of uncertainty quantification methodology is still lacking. In this work we present a novel quasi-Bayesian procedure for IV regression, building upon the recently developed kernelized IV models and the dual/minimax formulation of IV regression. We analyze the frequentist behavior of the proposed method, by establishing minimax optimal contraction rates in $L_2$ and Sobolev norms, and discussing the frequentist validity of credible balls. We further derive a scalable inference algorithm which can be extended to work with wide neural network models. Empirical evaluation shows that our method produces informative uncertainty estimates on complex high-dimensional problems.
Input Invex Neural Network
Authors: Suman Sapkota, Binod Bhattarai
Date: 2021-06-16 00:00:00
Tasks: Image Classification, Image Segmentation, Semantic Segmentation

Connected decision boundaries are useful in several tasks like image segmentation, clustering, alpha-shape or defining a region in nD-space. However, the machine learning literature lacks methods for generating connected decision boundaries using neural networks. Thresholding an invex function, a generalization of a convex function, generates such decision boundaries. This paper presents two methods for constructing invex functions using neural networks. The first approach is based on constraining a neural network with Gradient Clipped-Gradient Penality (GCGP), where we clip and penalise the gradients. In contrast, the second one is based on the relationship of the invex function to the composition of invertible and convex functions. We employ connectedness as a basic interpretation method and create connected region-based classifiers. We show that multiple connected set based classifiers can approximate any classification function. In the experiments section, we use our methods for classification tasks using an ensemble of 1-vs-all models as well as using a single multiclass model on small-scale datasets. The experiments show that connected set-based classifiers do not pose any disadvantage over ordinary neural network classifiers, but rather, enhance their interpretability. We also did an extensive study on the properties of invex function and connected sets for interpretability and network morphism with experiments on toy and real-world data sets. Our study suggests that invex function is fundamental to understanding and applying locality and connectedness of input space which is useful for various downstream tasks.
Predicting crop yields with little ground truth: A simple statistical model for in-season forecasting
Authors: Nemo Semret
Date: 2021-06-16 00:00:00
Tasks: Crop Yield Prediction, Feature Engineering

We present a fully automated model for in-season crop yield prediction, designed to work where there is a dearth of sub-national "ground truth" information. Our approach relies primarily on satellite data and is characterized by careful feature engineering combined with a simple regression model. As such, it can work almost anywhere in the world. Applying it to 10 different crop-country pairs (5 cereals -- corn, wheat, sorghum, barley and millet, in 2 countries -- Ethiopia and Kenya), we achieve RMSEs of 5%-10% for predictions 9 months into the year, and 7%-14% for predictions 3 months into the year. The model outputs daily forecasts for the final yield of the current year. It is trained using approximately 4 million data points for each crop-country pair. These consist of: historical country-level annual yields, crop calendars, crop cover, NDVI, temperature, rainfall, and evapotransporation.
Probabilistic DAG Search
Authors: Julia Grosse, Cheng Zhang, Philipp Hennig
Date: 2021-06-16 00:00:00
Tasks: Decision Making, feature selection, Game of Go, Sequential Decision Making

Exciting contemporary machine learning problems have recently been phrased in the classic formalism of tree search -- most famously, the game of Go. Interestingly, the state-space underlying these sequential decision-making problems often posses a more general latent structure than can be captured by a tree. In this work, we develop a probabilistic framework to exploit a search space's latent structure and thereby share information across the search tree. The method is based on a combination of approximate inference in jointly Gaussian models for the explored part of the problem, and an abstraction for the unexplored part that imposes a reduction of complexity ad hoc. We empirically find our algorithm to compare favorably to existing non-probabilistic alternatives in Tic-Tac-Toe and a feature selection application.
Memorization and Generalization in Neural Code Intelligence Models
Authors: Md Rafiqul Islam Rabin, Aftab Hussain, Mohammad Amin Alipour, Vincent J. Hellendoorn
Date: 2021-06-16 00:00:00
Tasks: Code Documentation Generation, Code Search, Memorization, Method name prediction, Variable misuse

Deep Neural Networks (DNNs) are increasingly being used in software engineering and code intelligence tasks. These are powerful tools that are capable of learning highly generalizable patterns from large datasets through millions of parameters. At the same time, their large capacity can render them prone to memorizing data points. Recent work suggests that the memorization risk manifests especially strongly when the training dataset is noisy, involving many ambiguous or questionable samples, and memorization is the only recourse. The goal of this paper is to evaluate and compare the extent of memorization and generalization in neural code intelligence models. It aims to provide insights on how memorization may impact the learning behavior of neural models in code intelligence systems. To observe the extent of memorization in models, we add random noise to the original training dataset and use various metrics to quantify the impact of noise on various aspects of training and testing. We evaluate several state-of-the-art neural code intelligence models and benchmarks based on Java, Python, and Ruby codebases. Our results highlight important risks: millions of trainable parameters allow the neural networks to memorize anything, including noisy data, and provide a false sense of generalization. We observed all models manifest some forms of memorization. This can be potentially troublesome in most code intelligence tasks where they rely on rather noise-prone and repetitive data sources, such as code from GitHub. To the best of our knowledge, we provide the first study to quantify memorization effects in the domain of software engineering and code intelligence systems. This work raises awareness and provides new insights into important issues of training neural models in code intelligence systems that are usually overlooked by software engineering researchers.
Source Separation-based Data Augmentation for Improved Joint Beat and Downbeat Tracking
Authors: Ching-Yu Chiu, Joann Ching, Wen-Yi Hsiao, Yu-Hua Chen, Alvin Wen-Yu Su, Yi-Hsuan Yang
Date: 2021-06-16 00:00:00
Tasks: Data Augmentation, Downbeat Tracking

Due to advances in deep learning, the performance of automatic beat and downbeat tracking in musical audio signals has seen great improvement in recent years. In training such deep learning based models, data augmentation has been found an important technique. However, existing data augmentation methods for this task mainly target at balancing the distribution of the training data with respect to their tempo. In this paper, we investigate another approach for data augmentation, to account for the composition of the training data in terms of the percussive and non-percussive sound sources. Specifically, we propose to employ a blind drum separation model to segregate the drum and non-drum sounds from each training audio signal, filtering out training signals that are drumless, and then use the obtained drum and non-drum stems to augment the training data. We report experiments on four completely unseen test sets, validating the effectiveness of the proposed method, and accordingly the importance of drum sound composition in the training data for beat and downbeat tracking.
Topology Distillation for Recommender System
Authors: SeongKu Kang, Junyoung Hwang, Wonbin Kweon, Hwanjo Yu
Date: 2021-06-16 00:00:00
Tasks: Knowledge Distillation, Model Compression, Recommendation Systems

Recommender Systems (RS) have employed knowledge distillation which is a model compression technique training a compact student model with the knowledge transferred from a pre-trained large teacher model. Recent work has shown that transferring knowledge from the teacher's intermediate layer significantly improves the recommendation quality of the student. However, they transfer the knowledge of individual representation point-wise and thus have a limitation in that primary information of RS lies in the relations in the representation space. This paper proposes a new topology distillation approach that guides the student by transferring the topological structure built upon the relations in the teacher space. We first observe that simply making the student learn the whole topological structure is not always effective and even degrades the student's performance. We demonstrate that because the capacity of the student is highly limited compared to that of the teacher, learning the whole topological structure is daunting for the student. To address this issue, we propose a novel method named Hierarchical Topology Distillation (HTD) which distills the topology hierarchically to cope with the large capacity gap. Our extensive experiments on real-world datasets show that the proposed method significantly outperforms the state-of-the-art competitors. We also provide in-depth analyses to ascertain the benefit of distilling the topology for RS.
Leveraging Probabilistic Circuits for Nonparametric Multi-Output Regression
Authors: Zhongjie Yu, Mingye Zhu, Martin Trapp, Arseny Skryagin, Kristian Kersting
Date: 2021-06-16 00:00:00
Tasks: Gaussian Processes, regression

Inspired by recent advances in the field of expert-based approximations of Gaussian processes (GPs), we present an expert-based approach to large-scale multi-output regression using single-output GP experts. Employing a deeply structured mixture of single-output GPs encoded via a probabilistic circuit allows us to capture correlations between multiple output dimensions accurately. By recursively partitioning the covariate space and the output space, posterior inference in our model reduces to inference on single-output GP experts, which only need to be conditioned on a small subset of the observations. We show that inference can be performed exactly and efficiently in our model, that it can capture correlations between output dimensions and, hence, often outperforms approaches that do not incorporate inter-output correlations, as demonstrated on several data sets in terms of the negative log predictive density.
Drum-Aware Ensemble Architecture for Improved Joint Musical Beat and Downbeat Tracking
Authors: Ching-Yu Chiu, Alvin Wen-Yu Su, Yi-Hsuan Yang
Date: 2021-06-16 00:00:00
Tasks: blind source separation, Downbeat Tracking

This paper presents a novel system architecture that integrates blind source separation with joint beat and downbeat tracking in musical audio signals. The source separation module segregates the percussive and non-percussive components of the input signal, over which beat and downbeat tracking are performed separately and then the results are aggregated with a learnable fusion mechanism. This way, the system can adaptively determine how much the tracking result for an input signal should depend on the input's percussive or non-percussive components. Evaluation on four testing sets that feature different levels of presence of drum sounds shows that the new architecture consistently outperforms the widely-adopted baseline architecture that does not employ source separation.
Comparison of Automated Machine Learning Tools for SMS Spam Message Filtering
Authors: Waddah Saeed
Date: 2021-06-16 00:00:00
Tasks: AutoML, BIG-bench Machine Learning

Short Message Service (SMS) is a very popular service used for communication by mobile users. However, this popular service can be abused by executing illegal activities and influencing security risks. Nowadays, many automatic machine learning (AutoML) tools exist which can help domain experts and lay users to build high-quality ML models with little or no machine learning knowledge. In this work, a classification performance comparison was conducted between three automatic ML tools for SMS spam message filtering. These tools are mljar-supervised AutoML, H2O AutoML, and Tree-based Pipeline Optimization Tool (TPOT) AutoML. Experimental results showed that ensemble models achieved the best classification performance. The Stacked Ensemble model, which was built using H2O AutoML, achieved the best performance in terms of Log Loss (0.8370), true positive (1088/1116), and true negative (281/287) metrics. There is a 19.05\% improvement in Log Loss with respect to TPOT AutoML and 5.56\% improvement with respect to mljar-supervised AutoML. The satisfactory filtering performance achieved with AutoML tools provides a potential application for AutoML tools to automatically determine the best ML model that can perform best for SMS spam message filtering.
Best of both worlds: local and global explanations with human-understandable concepts
Authors: Jessica Schrouff, Sebastien Baur, Shaobo Hou, Diana Mincu, Eric Loreaux, Ralph Blanes, James Wexler, Alan Karthikesalingam, Been Kim
Date: 2021-06-16 00:00:00

Interpretability techniques aim to provide the rationale behind a model's decision, typically by explaining either an individual prediction (local explanation, e.g. 'why is this patient diagnosed with this condition') or a class of predictions (global explanation, e.g. 'why is this set of patients diagnosed with this condition in general'). While there are many methods focused on either one, few frameworks can provide both local and global explanations in a consistent manner. In this work, we combine two powerful existing techniques, one local (Integrated Gradients, IG) and one global (Testing with Concept Activation Vectors), to provide local and global concept-based explanations. We first sanity check our idea using two synthetic datasets with a known ground truth, and further demonstrate with a benchmark natural image dataset. We test our method with various concepts, target classes, model architectures and IG parameters (e.g. baselines). We show that our method improves global explanations over vanilla TCAV when compared to ground truth, and provides useful local insights. Finally, a user study demonstrates the usefulness of the method compared to no or global explanations only. We hope our work provides a step towards building bridges between many existing local and global methods to get the best of both worlds.
Counterfactual Graphs for Explainable Classification of Brain Networks
Authors: Carlo Abrate, Francesco Bonchi
Date: 2021-06-16 00:00:00
Tasks: Classification, counterfactual

Training graph classifiers able to distinguish between healthy brains and dysfunctional ones, can help identifying substructures associated to specific cognitive phenotypes. However, the mere predictive power of the graph classifier is of limited interest to the neuroscientists, which have plenty of tools for the diagnosis of specific mental disorders. What matters is the interpretation of the model, as it can provide novel insights and new hypotheses. In this paper we propose \emph{counterfactual graphs} as a way to produce local post-hoc explanations of any black-box graph classifier. Given a graph and a black-box, a counterfactual is a graph which, while having high structural similarity with the original graph, is classified by the black-box in a different class. We propose and empirically compare several strategies for counterfactual graph search. Our experiments against a white-box classifier with known optimal counterfactual, show that our methods, although heuristic, can produce counterfactuals very close to the optimal one. Finally, we show how to use counterfactual graphs to build global explanations correctly capturing the behaviour of different black-box classifiers and providing interesting insights for the neuroscientists.