pwc-archive/papers-with-abstracts huggingface dataset:
Out-of-Distribution Example Detection in Deep Neural Networks using Distance to Modelled Embedding
Authors: Rickard Sjögren, Johan Trygg
Date: 2021-08-24 00:00:00
Tasks: Prediction

Adoption of deep learning in safety-critical systems raise the need for understanding what deep neural networks do not understand after models have been deployed. The behaviour of deep neural networks is undefined for so called out-of-distribution examples. That is, examples from another distribution than the training set. Several methodologies to detect out-of-distribution examples during prediction-time have been proposed, but these methodologies constrain either neural network architecture, how the neural network is trained, suffer from performance overhead, or assume that the nature of out-of-distribution examples are known a priori. We present Distance to Modelled Embedding (DIME) that we use to detect out-of-distribution examples during prediction time. By approximating the training set embedding into feature space as a linear hyperplane, we derive a simple, unsupervised, highly performant and computationally efficient method. DIME allows us to add prediction-time detection of out-of-distribution examples to neural network models without altering architecture or training while imposing minimal constraints on when it is applicable. In our experiments, we demonstrate that by using DIME as an add-on after training, we efficiently detect out-of-distribution examples during prediction and match state-of-the-art methods while being more versatile and introducing negligible computational overhead.
Energy time series forecasting-Analytical and empirical assessment of conventional and machine learning models
Authors: Hala Hamdoun, Alaa Sagheer, Hassan Youness
Date: 2021-08-24 00:00:00
Tasks: Articles, BIG-bench Machine Learning, Time Series, Time Series Analysis, Time Series Forecasting

Machine learning methods have been adopted in the literature as contenders to conventional methods to solve the energy time series forecasting (TSF) problems. Recently, deep learning methods have been emerged in the artificial intelligence field attaining astonishing performance in a wide range of applications. Yet, the evidence about their performance in to solve the energy TSF problems, in terms of accuracy and computational requirements, is scanty. Most of the review articles that handle the energy TSF problem are systematic reviews, however, a qualitative and quantitative study for the energy TSF problem is not yet available in the literature. The purpose of this paper is twofold, first it provides a comprehensive analytical assessment for conventional,machine learning, and deep learning methods that can be utilized to solve various energy TSF problems. Second, the paper carries out an empirical assessment for many selected methods through three real-world datasets. These datasets related to electrical energy consumption problem, natural gas problem, and electric power consumption of an individual household problem.The first two problems are univariate TSF and the third problem is a multivariate TSF. Com-pared to both conventional and machine learning contenders, the deep learning methods attain a significant improvement in terms of accuracy and forecasting horizons examined. In the mean-time, their computational requirements are notably greater than other contenders. Eventually,the paper identifies a number of challenges, potential research directions, and recommendations to the research community may serve as a basis for further research in the energy forecasting domain.
On the Effectiveness of Genetic Operations in Symbolic Regression
Authors: Bogdan Burlacu, Michael Affenzeller, Michael Kommenda
Date: 2021-08-24 00:00:00
Tasks: Diversity, regression, Symbolic Regression

This paper describes a methodology for analyzing the evolutionary dynamics of genetic programming (GP) using genealogical information, diversity measures and information about the fitness variation from parent to offspring. We introduce a new subtree tracing approach for identifying the origins of genes in the structure of individuals, and we show that only a small fraction of ancestor individuals are responsible for the evolvement of the best solutions in the population.
Data Aggregation for Reducing Training Data in Symbolic Regression
Authors: Lukas Kammerer, Gabriel Kronberger, Michael Kommenda
Date: 2021-08-24 00:00:00
Tasks: BIG-bench Machine Learning, regression, Symbolic Regression

The growing volume of data makes the use of computationally intense machine learning techniques such as symbolic regression with genetic programming more and more impractical. This work discusses methods to reduce the training data and thereby also the runtime of genetic programming. The data is aggregated in a preprocessing step before running the actual machine learning algorithm. K-means clustering and data binning is used for data aggregation and compared with random sampling as the simplest data reduction method. We analyze the achieved speed-up in training and the effects on the trained models test accuracy for every method on four real-world data sets. The performance of genetic programming is compared with random forests and linear regression. It is shown, that k-means and random sampling lead to very small loss in test accuracy when the data is reduced down to only 30% of the original data, while the speed-up is proportional to the size of the data set. Binning on the contrary, leads to models with very high test error.
GrADE: A graph based data-driven solver for time-dependent nonlinear partial differential equations
Authors: Yash Kumar, Souvik Chakraborty
Date: 2021-08-24 00:00:00
Tasks: Graph Attention, Graph Neural Network

The physical world is governed by the laws of physics, often represented in form of nonlinear partial differential equations (PDEs). Unfortunately, solution of PDEs is non-trivial and often involves significant computational time. With recent developments in the field of artificial intelligence and machine learning, the solution of PDEs using neural network has emerged as a domain with huge potential. However, most of the developments in this field are based on either fully connected neural networks (FNN) or convolutional neural networks (CNN). While FNN is computationally inefficient as the number of network parameters can be potentially huge, CNN necessitates regular grid and simpler domain. In this work, we propose a novel framework referred to as the Graph Attention Differential Equation (GrADE) for solving time dependent nonlinear PDEs. The proposed approach couples FNN, graph neural network, and recently developed Neural ODE framework. The primary idea is to use graph neural network for modeling the spatial domain, and Neural ODE for modeling the temporal domain. The attention mechanism identifies important inputs/features and assign more weightage to the same; this enhances the performance of the proposed framework. Neural ODE, on the other hand, results in constant memory cost and allows trading of numerical precision for speed. We also propose depth refinement as an effective technique for training the proposed architecture in lesser time with better accuracy. The effectiveness of the proposed framework is illustrated using 1D and 2D Burgers' equations. Results obtained illustrate the capability of the proposed framework in modeling PDE and its scalability to larger domains without the need for retraining.
Layer-wise Adaptive Graph Convolution Networks Using Generalized Pagerank
Authors: Kishan Wimalawarne, Taiji Suzuki
Date: 2021-08-24 00:00:00
Tasks: Generalization Bounds, Node Classification

We investigate adaptive layer-wise graph convolution in deep GCN models. We propose AdaGPR to learn generalized Pageranks at each layer of a GCNII network to induce adaptive convolution. We show that the generalization bound for AdaGPR is bounded by a polynomial of the eigenvalue spectrum of the normalized adjacency matrix in the order of the number of generalized Pagerank coefficients. By analysing the generalization bounds we show that oversmoothing depends on both the convolutions by the higher orders of the normalized adjacency matrix and the depth of the model. We performed evaluations on node-classification using benchmark real data and show that AdaGPR provides improved accuracies compared to existing graph convolution networks while demonstrating robustness against oversmoothing. Further, we demonstrate that analysis of coefficients of layer-wise generalized Pageranks allows us to qualitatively understand convolution at each layer enabling model interpretations.
Data-Free Evaluation of User Contributions in Federated Learning
Authors: Hongtao Lv, Zhenzhe Zheng, Tie Luo, Fan Wu, Shaojie Tang, Lifeng Hua, Rongfei Jia, Chengfei Lv
Date: 2021-08-24 00:00:00
Tasks: Federated Learning, Product Recommendation

Federated learning (FL) trains a machine learning model on mobile devices in a distributed manner using each device's private data and computing resources. A critical issues is to evaluate individual users' contributions so that (1) users' effort in model training can be compensated with proper incentives and (2) malicious and low-quality users can be detected and removed. The state-of-the-art solutions require a representative test dataset for the evaluation purpose, but such a dataset is often unavailable and hard to synthesize. In this paper, we propose a method called Pairwise Correlated Agreement (PCA) based on the idea of peer prediction to evaluate user contribution in FL without a test dataset. PCA achieves this using the statistical correlation of the model parameters uploaded by users. We then apply PCA to designing (1) a new federated learning algorithm called Fed-PCA, and (2) a new incentive mechanism that guarantees truthfulness. We evaluate the performance of PCA and Fed-PCA using the MNIST dataset and a large industrial product recommendation dataset. The results demonstrate that our Fed-PCA outperforms the canonical FedAvg algorithm and other baseline methods in accuracy, and at the same time, PCA effectively incentivizes users to behave truthfully.
Outdoor Position Recovery from HeterogeneousTelco Cellular Data
Authors: Yige Zhang, Weixiong Rao, Kun Zhang, Lei Chen
Date: 2021-08-24 00:00:00
Tasks: Multi-Task Learning, Position, Transportation Mode Detection

Recent years have witnessed unprecedented amounts of data generated by telecommunication (Telco) cellular networks. For example, measurement records (MRs) are generated to report the connection states between mobile devices and Telco networks, e.g., received signal strength. MR data have been widely used to localize outdoor mobile devices for human mobility analysis, urban planning, and traffic forecasting. Existing works using first-order sequence models such as the Hidden Markov Model (HMM) attempt to capture spatio-temporal locality in underlying mobility patterns for lower localization errors. The HMM approaches typically assume stable mobility patterns of the underlying mobile devices. Yet real MR datasets exhibit heterogeneous mobility patterns due to mixed transportation modes of the underlying mobile devices and uneven distribution of the positions associated with MR samples. Thus, the existing solutions cannot handle these heterogeneous mobility patterns. we propose a multi-task learning-based deep neural network (DNN) framework, namely PRNet+, to incorporate outdoor position recovery and transportation mode detection. To make sure the framework work, PRNet+ develops a feature extraction module to precisely learn local-, short- and long-term spatio-temporal locality from heterogeneous MR samples. Extensive evaluation on eight datasets collected at three representative areas in Shanghai indicates that PRNet+ greatly outperforms state-of-the-arts.
DeepSleepNet-Lite: A Simplified Automatic Sleep Stage Scoring Model with Uncertainty Estimates
Authors: Luigi Fiorillo, Paolo Favaro, Francesca Dalia Faraci
Date: 2021-08-24 00:00:00
Tasks: EEG, Electroencephalogram (EEG)

Deep learning is widely used in the most recent automatic sleep scoring algorithms. Its popularity stems from its excellent performance and from its ability to directly process raw signals and to learn feature from the data. Most of the existing scoring algorithms exploit very computationally demanding architectures, due to their high number of training parameters, and process lengthy time sequences in input (up to 12 minutes). Only few of these architectures provide an estimate of the model uncertainty. In this study we propose DeepSleepNet-Lite, a simplified and lightweight scoring architecture, processing only 90-seconds EEG input sequences. We exploit, for the first time in sleep scoring, the Monte Carlo dropout technique to enhance the performance of the architecture and to also detect the uncertain instances. The evaluation is performed on a single-channel EEG Fpz-Cz from the open source Sleep-EDF expanded database. DeepSleepNet-Lite achieves slightly lower performance, if not on par, compared to the existing state-of-the-art architectures, in overall accuracy, macro F1-score and Cohen's kappa (on Sleep-EDF v1-2013 +/-30mins: 84.0%, 78.0%, 0.78; on Sleep-EDF v2-2018 +/-30mins: 80.3%, 75.2%, 0.73). Monte Carlo dropout enables the estimate of the uncertain predictions. By rejecting the uncertain instances, the model achieves higher performance on both versions of the database (on Sleep-EDF v1-2013 +/-30mins: 86.1.0%, 79.6%, 0.81; on Sleep-EDF v2-2018 +/-30mins: 82.3%, 76.7%, 0.76). Our lighter sleep scoring approach paves the way to the application of scoring algorithms for sleep analysis in real-time.
Pooling Architecture Search for Graph Classification
Authors: Lanning Wei, Huan Zhao, Quanming Yao, Zhiqiang He
Date: 2021-08-24 00:00:00
Tasks: Classification, Graph Classification, Neural Architecture Search

Graph classification is an important problem with applications across many domains, like chemistry and bioinformatics, for which graph neural networks (GNNs) have been state-of-the-art (SOTA) methods. GNNs are designed to learn node-level representation based on neighborhood aggregation schemes, and to obtain graph-level representation, pooling methods are applied after the aggregation operation in existing GNN models to generate coarse-grained graphs. However,due to highly diverse applications of graph classification, and the performance of existing pooling methods vary on different graphs. In other words, it is a challenging problem to design a universal pooling architecture to perform well in most cases, leading to a demand for data-specific pooling methods in real-world applications. To address this problem, we propose to use neural architecture search (NAS) to search for adaptive pooling architectures for graph classification. Firstly we designed a unified framework consisting of four modules: Aggregation, Pooling, Readout, and Merge, which can cover existing human-designed pooling methods for graph classification. Based on this framework, a novel search space is designed by incorporating popular operations in human-designed architectures. Then to enable efficient search, a coarsening strategy is proposed to continuously relax the search space, thus a differentiable search method can be adopted. Extensive experiments on six real-world datasets from three domains are conducted, and the results demonstrate the effectiveness and efficiency of the proposed framework.
The staircase property: How hierarchical structure can guide deep learning
Authors: Emmanuel Abbe, Enric Boix-Adsera, Matthew Brennan, Guy Bresler, Dheeraj Nagaraj
Date: 2021-08-24 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Deep Learning

This paper identifies a structural property of data distributions that enables deep neural networks to learn hierarchically. We define the "staircase" property for functions over the Boolean hypercube, which posits that high-order Fourier coefficients are reachable from lower-order Fourier coefficients along increasing chains. We prove that functions satisfying this property can be learned in polynomial time using layerwise stochastic coordinate descent on regular neural networks -- a class of network architectures and initializations that have homogeneity properties. Our analysis shows that for such staircase functions and neural networks, the gradient-based algorithm learns high-level features by greedily combining lower-level features along the depth of the network. We further back our theoretical results with experiments showing that staircase functions are also learnable by more standard ResNet architectures with stochastic gradient descent. Both the theoretical and experimental results support the fact that staircase properties have a role to play in understanding the capabilities of gradient-based learning on regular networks, in contrast to general polynomial-size networks that can emulate any SQ or PAC algorithms as recently shown.
sigmoidF1: A Smooth F1 Score Surrogate Loss for Multilabel Classification
Authors: Gabriel Bénédict, Vincent Koops, Daan Odijk, Maarten de Rijke
Date: 2021-08-24 00:00:00
Tasks: Classification

Multiclass multilabel classification is the task of attributing multiple labels to examples via predictions. Current models formulate a reduction of the multilabel setting into either multiple binary classifications or multiclass classification, allowing for the use of existing loss functions (sigmoid, cross-entropy, logistic, etc.). Multilabel classification reductions do not accommodate for the prediction of varying numbers of labels per example and the underlying losses are distant estimates of the performance metrics. We propose a loss function, sigmoidF1, which is an approximation of the F1 score that (1) is smooth and tractable for stochastic gradient descent, (2) naturally approximates a multilabel metric, and (3) estimates label propensities and label counts. We show that any confusion matrix metric can be formulated with a smooth surrogate. We evaluate the proposed loss function on text and image datasets, and with a variety of metrics, to account for the complexity of multilabel classification evaluation. sigmoidF1 outperforms other loss functions on one text and two image datasets and several metrics. These results show the effectiveness of using inference-time metrics as loss functions for non-trivial classification problems like multilabel classification.
Adaptation-Agnostic Meta-Training
Authors: Jiaxin Chen, Li-Ming Zhan, Xiao-Ming Wu, Fu-Lai Chung
Date: 2021-08-24 00:00:00
Proceeding: ICML Workshop AutoML 2021 7
Tasks: Meta-Learning

Many meta-learning algorithms can be formulated into an interleaved process, in the sense that task-specific predictors are learned during inner-task adaptation and meta-parameters are updated during meta-update. The normal meta-training strategy needs to differentiate through the inner-task adaptation procedure to optimize the meta-parameters. This leads to a constraint that the inner-task algorithms should be solved analytically. Under this constraint, only simple algorithms with analytical solutions can be applied as the inner-task algorithms, limiting the model expressiveness. To lift the limitation, we propose an adaptation-agnostic meta-training strategy. Following our proposed strategy, we can apply stronger algorithms (e.g., an ensemble of different types of algorithms) as the inner-task algorithm to achieve superior performance comparing with popular baselines. The source code is available at https://github.com/jiaxinchen666/AdaptationAgnosticMetaLearning.
Counterfactual Explainable Recommendation
Authors: Juntao Tan, Shuyuan Xu, Yingqiang Ge, Yunqi Li, Xu Chen, Yongfeng Zhang
Date: 2021-08-24 00:00:00
Tasks: Causal Inference, counterfactual, Counterfactual Explanation, Counterfactual Reasoning, Decision Making, Explainable Recommendation, Recommendation Systems

By providing explanations for users and system designers to facilitate better understanding and decision making, explainable recommendation has been an important research problem. In this paper, we propose Counterfactual Explainable Recommendation (CountER), which takes the insights of counterfactual reasoning from causal inference for explainable recommendation. CountER is able to formulate the complexity and the strength of explanations, and it adopts a counterfactual learning framework to seek simple (low complexity) and effective (high strength) explanations for the model decision. Technically, for each item recommended to each user, CountER formulates a joint optimization problem to generate minimal changes on the item aspects so as to create a counterfactual item, such that the recommendation decision on the counterfactual item is reversed. These altered aspects constitute the explanation of why the original item is recommended. The counterfactual explanation helps both the users for better understanding and the system designers for better model debugging. Another contribution of the work is the evaluation of explainable recommendation, which has been a challenging task. Fortunately, counterfactual explanations are very suitable for standard quantitative evaluation. To measure the explanation quality, we design two types of evaluation metrics, one from user's perspective (i.e. why the user likes the item), and the other from model's perspective (i.e. why the item is recommended by the model). We apply our counterfactual learning algorithm on a black-box recommender system and evaluate the generated explanations on five real-world datasets. Results show that our model generates more accurate and effective explanations than state-of-the-art explainable recommendation models.
Uncertainty Quantification of the 4th kind; optimal posterior accuracy-uncertainty tradeoff with the minimum enclosing ball
Authors: Hamed Hamze Bajgiran, Pau Batlle Franch, Houman Owhadi, Mostafa Samir, Clint Scovel, Mahdy Shirdel, Michael Stanley, Peyman Tavallali
Date: 2021-08-24 00:00:00
Tasks: Bayesian Inference, Uncertainty Quantification

There are essentially three kinds of approaches to Uncertainty Quantification (UQ): (A) robust optimization, (B) Bayesian, (C) decision theory. Although (A) is robust, it is unfavorable with respect to accuracy and data assimilation. (B) requires a prior, it is generally brittle and posterior estimations can be slow. Although (C) leads to the identification of an optimal prior, its approximation suffers from the curse of dimensionality and the notion of risk is one that is averaged with respect to the distribution of the data. We introduce a 4th kind which is a hybrid between (A), (B), (C), and hypothesis testing. It can be summarized as, after observing a sample $x$, (1) defining a likelihood region through the relative likelihood and (2) playing a minmax game in that region to define optimal estimators and their risk. The resulting method has several desirable properties (a) an optimal prior is identified after measuring the data, and the notion of risk is a posterior one, (b) the determination of the optimal estimate and its risk can be reduced to computing the minimum enclosing ball of the image of the likelihood region under the quantity of interest map (which is fast and not subject to the curse of dimensionality). The method is characterized by a parameter in $ [0,1]$ acting as an assumed lower bound on the rarity of the observed data (the relative likelihood). When that parameter is near $1$, the method produces a posterior distribution concentrated around a maximum likelihood estimate with tight but low confidence UQ estimates. When that parameter is near $0$, the method produces a maximal risk posterior distribution with high confidence UQ estimates. In addition to navigating the accuracy-uncertainty tradeoff, the proposed method addresses the brittleness of Bayesian inference by navigating the robustness-accuracy tradeoff associated with data assimilation.