pwc-archive/papers-with-abstracts huggingface dataset:
mGNN: Generalizing the Graph Neural Networks to the Multilayer Case
Authors: Marco Grassia, Manlio De Domenico, Giuseppe Mangioni
Date: 2021-09-21 00:00:00
Tasks: Link Prediction

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly or even untractable. In this paper, we propose mGNN, a framework meant to generalize GNNs to the case of multi-layer networks, i.e., networks that can model multiple kinds of interactions and relations between nodes. Our approach is general (i.e., not task specific) and has the advantage of extending any type of GNN without any computational overhead. We test the framework into three different tasks (node and network classification, link prediction) to validate it.
Transferability of Graph Neural Networks: an Extended Graphon Approach
Authors: Sohir Maskey, Ron Levie, Gitta Kutyniok
Date: 2021-09-21 00:00:00

We study spectral graph convolutional neural networks (GCNNs), where filters are defined as continuous functions of the graph shift operator (GSO) through functional calculus. A spectral GCNN is not tailored to one specific graph and can be transferred between different graphs. It is hence important to study the GCNN transferability: the capacity of the network to have approximately the same repercussion on different graphs that represent the same phenomenon. Transferability ensures that GCNNs trained on certain graphs generalize if the graphs in the test set represent the same phenomena as the graphs in the training set. In this paper, we consider a model of transferability based on graphon analysis. Graphons are limit objects of graphs, and, in the graph paradigm, two graphs represent the same phenomenon if both approximate the same graphon. Our main contributions can be summarized as follows: 1) we prove that any fixed GCNN with continuous filters is transferable under graphs that approximate the same graphon, 2) we prove transferability for graphs that approximate unbounded graphon shift operators, which are defined in this paper, and, 3) we obtain non-asymptotic approximation results, proving linear stability of GCNNs. This extends current state-of-the-art results which show asymptotic transferability for polynomial filters under graphs that approximate bounded graphons.
DeepTimeAnomalyViz: A Tool for Visualizing and Post-processing Deep Learning Anomaly Detection Results for Industrial Time-Series
Authors: Błażej Leporowski, Casper Hansen, Alexandros Iosifidis
Date: 2021-09-21 00:00:00
Tasks: Anomaly Detection, Time Series, Time Series Analysis

Industrial processes are monitored by a large number of various sensors that produce time-series data. Deep Learning offers a possibility to create anomaly detection methods that can aid in preventing malfunctions and increasing efficiency. But creating such a solution can be a complicated task, with factors such as inference speed, amount of available data, number of sensors, and many more, influencing the feasibility of such implementation. We introduce the DeTAVIZ interface, which is a web browser based visualization tool for quick exploration and assessment of feasibility of DL based anomaly detection in a given problem. Provided with a pool of pretrained models and simulation results, DeTAVIZ allows the user to easily and quickly iterate through multiple post processing options and compare different models, and allows for manual optimisation towards a chosen metric.
NADE: A Benchmark for Robust Adverse Drug Events Extraction in Face of Negations
Authors: Simone Scaboro, Beatrice Portelli, Emmanuele Chersoni, Enrico Santus, Giuseppe Serra
Date: 2021-09-21 00:00:00
Proceeding: WNUT (ACL) 2021 11
Tasks: Negation, Negation Detection

Adverse Drug Event (ADE) extraction models can rapidly examine large collections of social media texts, detecting mentions of drug-related adverse reactions and trigger medical investigations. However, despite the recent advances in NLP, it is currently unknown if such models are robust in face of negation, which is pervasive across language varieties. In this paper we evaluate three state-of-the-art systems, showing their fragility against negation, and then we introduce two possible strategies to increase the robustness of these models: a pipeline approach, relying on a specific component for negation detection; an augmentation of an ADE extraction dataset to artificially create negated samples and further train the models. We show that both strategies bring significant increases in performance, lowering the number of spurious entities predicted by the models. Our dataset and code will be publicly released to encourage research on the topic.
Scenario generation for market risk models using generative neural networks
Authors: Solveig Flaig, Gero Junike
Date: 2021-09-21 00:00:00

In this research, we show how to expand existing approaches of using generative adversarial networks (GANs) as economic scenario generators (ESG) to a whole internal market risk model - with enough risk factors to model the full band-width of investments for an insurance company and for a one year time horizon as required in Solvency 2. We demonstrate that the results of a GAN-based internal model are similar to regulatory approved internal models in Europe. Therefore, GAN-based models can be seen as a data-driven alternative way of market risk modeling.
Graph Neural Networks for Graph Drawing
Authors: Matteo Tiezzi, Gabriele Ciravegna, Marco Gori
Date: 2021-09-21 00:00:00

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of Gradient Descent and related optimization algorithms. In this paper, we propose a novel framework for the development of Graph Neural Drawers (GND), machines that rely on neural computation for constructing efficient and complex maps. GNDs are Graph Neural Networks (GNNs) whose learning process can be driven by any provided loss function, such as the ones commonly employed in Graph Drawing. Moreover, we prove that this mechanism can be guided by loss functions computed by means of Feedforward Neural Networks, on the basis of supervision hints that express beauty properties, like the minimization of crossing edges. In this context, we show that GNNs can nicely be enriched by positional features to deal also with unlabelled vertexes. We provide a proof-of-concept by constructing a loss function for the edge-crossing and provide quantitative and qualitative comparisons among different GNN models working under the proposed framework.
Toward a Fairness-Aware Scoring System for Algorithmic Decision-Making
Authors: Yi Yang, Ying Wu, Mei Li, Xiangyu Chang, Yong Tan
Date: 2021-09-21 00:00:00
Tasks: Decision Making, Fairness, Medical Diagnosis

Scoring systems, as a type of predictive model, have significant advantages in interpretability and transparency and facilitate quick decision-making. As such, scoring systems have been extensively used in a wide variety of industries such as healthcare and criminal justice. However, the fairness issues in these models have long been criticized, and the use of big data and machine learning algorithms in the construction of scoring systems heightens this concern. In this paper, we propose a general framework to create fairness-aware, data-driven scoring systems. First, we develop a social welfare function that incorporates both efficiency and group fairness. Then, we transform the social welfare maximization problem into the risk minimization task in machine learning, and derive a fairness-aware scoring system with the help of mixed integer programming. Lastly, several theoretical bounds are derived for providing parameter selection suggestions. Our proposed framework provides a suitable solution to address group fairness concerns in the development of scoring systems. It enables policymakers to set and customize their desired fairness requirements as well as other application-specific constraints. We test the proposed algorithm with several empirical data sets. Experimental evidence supports the effectiveness of the proposed scoring system in achieving the optimal welfare of stakeholders and in balancing the needs for interpretability, fairness, and efficiency.
Stabilizing Elastic Weight Consolidation method in practical ML tasks and using weight importances for neural network pruning
Authors: Alexey Kutalev, Alisa Lapina
Date: 2021-09-21 00:00:00
Tasks: Continual Learning, Network Pruning

This paper is devoted to the features of the practical application of the Elastic Weight Consolidation (EWC) method for continual learning of neural networks on several training sets. We will more rigorously compare the well-known methodologies for calculating the importance of weights used in the EWC method. These are the Memory Aware Synapses (MAS), Synaptic Intelligence (SI) methodologies and the calculation of the importance of weights based on the Fisher information matrix from the original paper on EWC. We will consider these methodologies as applied to deep neural networks with fully connected and convolutional layers, find the optimal hyperparameters for each of the methodologies, and compare the results of continual neural network learning using these hyperparameters. Next, we will point out the problems that arise when applying the EWC method to deep neural networks with convolutional layers and self-attention layers, such as the "gradient explosion" and the loss of meaningful information in the gradient when using the constraint of its norm (gradient clipping). Then, we will propose a stabilization approach for the EWC method that helps to solve these problems, evaluate it in comparison with the original methodology and show that the proposed stabilization approach performs on the task of maintaining skills during continual learning no worse than the original EWC, but does not have its disadvantages. In conclusion, we present an interesting fact about the use of various types of weight importance in the problem of neural network pruning.
Vaccine allocation policy optimization and budget sharing mechanism using Thompson sampling
Authors: David Rey, Ahmed W Hammad, Meead Saberi
Date: 2021-09-21 00:00:00
Tasks: Decision Making, Management, Thompson Sampling

The optimal allocation of vaccines to population subgroups over time is a challenging health care management problem. In the context of a pandemic, the interaction between vaccination policies adopted by multiple agents and the cooperation (or lack thereof) creates a complex environment that affects the global transmission dynamics of the disease. In this study, we take the perspective of decision-making agents that aim to minimize the size of their susceptible populations and must allocate vaccine under limited supply. We assume that vaccine efficiency rates are unknown to agents and we propose an optimization policy based on Thompson sampling to learn mean vaccine efficiency rates over time. Furthermore, we develop a budget-balanced resource sharing mechanism to promote cooperation among agents. We apply the proposed framework to the COVID-19 pandemic. We use a raster model of the world where agents represent the main countries worldwide and interact in a global mobility network to generate multiple problem instances. Our numerical results show that the proposed vaccine allocation policy achieves a larger reduction in the number of susceptible individuals, infections and deaths globally compared to a population-based policy. In addition, we show that, under a fixed global vaccine allocation budget, most countries can reduce their national number of infections and deaths by sharing their budget with countries with which they have a relatively high mobility exchange. The proposed framework can be used to improve policy-making in health care management by national and global health authorities.
Signal Classification using Smooth Coefficients of Multiple wavelets
Authors: Paul Grant, Md Zahidul Islam
Date: 2021-09-21 00:00:00
Tasks: Classification, Time Series, Time Series Analysis

Classification of time series signals has become an important construct and has many practical applications. With existing classifiers we may be able to accurately classify signals, however that accuracy may decline if using a reduced number of attributes. Transforming the data then undertaking reduction in dimensionality may improve the quality of the data analysis, decrease time required for classification and simplify models. We propose an approach, which chooses suitable wavelets to transform the data, then combines the output from these transforms to construct a dataset to then apply ensemble classifiers to. We demonstrate this on different data sets, across different classifiers and use differing evaluation methods. Our experimental results demonstrate the effectiveness of the proposed technique, compared to the approaches that use either raw signal data or a single wavelet transform.
Adaptive Control of SE(3) Hamiltonian Dynamics with Learned Disturbance Features
Authors: Thai Duong, Nikolay Atanasov
Date: 2021-09-21 00:00:00

Adaptive control is a critical component of reliable robot autonomy in rapidly changing operational conditions. Adaptive control designs benefit from a disturbance model, which is often unavailable in practice. This motivates the use of machine learning techniques to learn disturbance features from training data offline, which can subsequently be employed to compensate the disturbances online. This paper develops geometric adaptive control with a learned disturbance model for rigid-body systems, such as ground, aerial, and underwater vehicles, that satisfy Hamilton's equations of motion over the $SE(3)$ manifold. Our design consists of an \emph{offline disturbance model identification stage}, using a Hamiltonian-based neural ordinary differential equation (ODE) network trained from state-control trajectory data, and an \emph{online adaptive control stage}, estimating and compensating the disturbances based on geometric tracking errors. We demonstrate our adaptive geometric controller in trajectory tracking simulations of fully-actuated pendulum and under-actuated quadrotor systems.
Non-parametric Kernel-Based Estimation of Probability Distributions for Precipitation Modeling
Authors: Andrew Pavlides, Vasiliki Agou, Dionissios T. Hristopulos
Date: 2021-09-21 00:00:00

The probability distribution of precipitation amount strongly depends on geography, climate zone, and time scale considered. Closed-form parametric probability distributions are not sufficiently flexible to provide accurate and universal models for precipitation amount over different time scales. In this paper we derive non-parametric estimates of the cumulative distribution function (CDF) of precipitation amount for wet periods. The CDF estimates are obtained by integrating the kernel density estimator leading to semi-explicit CDF expressions for different kernel functions. We investigate an adaptive plug-in bandwidth (KCDE), using both synthetic data sets and reanalysis precipitation data from the Mediterranean island of Crete (Greece). We show that KCDE provides better estimates of the probability distribution than the standard empirical (staircase) estimate and kernel-based estimates that use the normal reference bandwidth. We also demonstrate that KCDE enables the simulation of non-parametric precipitation amount distributions by means of the inverse transform sampling method.
FakeWake: Understanding and Mitigating Fake Wake-up Words of Voice Assistants
Authors: Yanjiao Chen, Yijie Bai, Richard Mitev, Kaibo Wang, Ahmad-Reza Sadeghi, Wenyuan Xu
Date: 2021-09-21 00:00:00

In the area of Internet of Things (IoT) voice assistants have become an important interface to operate smart speakers, smartphones, and even automobiles. To save power and protect user privacy, voice assistants send commands to the cloud only if a small set of pre-registered wake-up words are detected. However, voice assistants are shown to be vulnerable to the FakeWake phenomena, whereby they are inadvertently triggered by innocent-sounding fuzzy words. In this paper, we present a systematic investigation of the FakeWake phenomena from three aspects. To start with, we design the first fuzzy word generator to automatically and efficiently produce fuzzy words instead of searching through a swarm of audio materials. We manage to generate 965 fuzzy words covering 8 most popular English and Chinese smart speakers. To explain the causes underlying the FakeWake phenomena, we construct an interpretable tree-based decision model, which reveals phonetic features that contribute to false acceptance of fuzzy words by wake-up word detectors. Finally, we propose remedies to mitigate the effect of FakeWake. The results show that the strengthened models are not only resilient to fuzzy words but also achieve better overall performance on original training datasets.
Neural networks with trainable matrix activation functions
Authors: Zhengqi Liu, Shuhao Cao, Yuwen Li, Ludmil Zikatanov
Date: 2021-09-21 00:00:00

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing matrix-valued activation functions whose entries are generalized from ReLU. The activation is based on matrix-vector multiplications using only scalar multiplications and comparisons. The proposed activation functions depend on parameters that are trained along with the weights and bias vectors. Neural networks based on this approach are simple and efficient and are shown to be robust in numerical experiments.
Meta-Model Structure Selection: Building Polynomial NARX Model for Regression and Classification
Authors: W. R. Lacerda Junior, S. A. M. Martins, E. G. Nepomuceno
Date: 2021-09-21 00:00:00
Tasks: model, regression

This work presents a new meta-heuristic approach to select the structure of polynomial NARX models for regression and classification problems. The method takes into account the complexity of the model and the contribution of each term to build parsimonious models by proposing a new cost function formulation. The robustness of the new algorithm is tested on several simulated and experimental system with different nonlinear characteristics. The obtained results show that the proposed algorithm is capable of identifying the correct model, for cases where the proper model structure is known, and determine parsimonious models for experimental data even for those systems for which traditional and contemporary methods habitually fails. The new algorithm is validated over classical methods such as the FROLS and recent randomized approaches.
Demonstration-Efficient Guided Policy Search via Imitation of Robust Tube MPC
Authors: Andrea Tagliabue, Dong-Ki Kim, Michael Everett, Jonathan P. How
Date: 2021-09-21 00:00:00
Tasks: Data Augmentation, Imitation Learning

We propose a demonstration-efficient strategy to compress a computationally expensive Model Predictive Controller (MPC) into a more computationally efficient representation based on a deep neural network and Imitation Learning (IL). By generating a Robust Tube variant (RTMPC) of the MPC and leveraging properties from the tube, we introduce a data augmentation method that enables high demonstration-efficiency, being capable to compensate the distribution shifts typically encountered in IL. Our approach opens the possibility of zero-shot transfer from a single demonstration collected in a nominal domain, such as a simulation or a robot in a lab/controlled environment, to a domain with bounded model errors/perturbations. Numerical and experimental evaluations performed on a trajectory tracking MPC for a quadrotor show that our method outperforms strategies commonly employed in IL, such as DAgger and Domain Randomization, in terms of demonstration-efficiency and robustness to perturbations unseen during training.
Modeling Adversarial Noise for Adversarial Training
Authors: Dawei Zhou, Nannan Wang, Bo Han, Tongliang Liu
Date: 2021-09-21 00:00:00
Tasks: Adversarial Defense

Deep neural networks have been demonstrated to be vulnerable to adversarial noise, promoting the development of defense against adversarial attacks. Motivated by the fact that adversarial noise contains well-generalizing features and that the relationship between adversarial data and natural data can help infer natural data and make reliable predictions, in this paper, we study to model adversarial noise by learning the transition relationship between adversarial labels (i.e. the flipped labels used to generate adversarial data) and natural labels (i.e. the ground truth labels of the natural data). Specifically, we introduce an instance-dependent transition matrix to relate adversarial labels and natural labels, which can be seamlessly embedded with the target model (enabling us to model stronger adaptive adversarial noise). Empirical evaluations demonstrate that our method could effectively improve adversarial accuracy.
Chemical-Reaction-Aware Molecule Representation Learning
Authors: Hongwei Wang, Weijiang Li, Xiaomeng Jin, Kyunghyun Cho, Heng Ji, Jiawei Han, Martin D. Burke
Date: 2021-09-21 00:00:00
Proceeding: ICLR 2022 4
Tasks: Chemical Reaction Prediction, Property Prediction, Representation Learning

Molecule representation learning (MRL) methods aim to embed molecules into a real vector space. However, existing SMILES-based (Simplified Molecular-Input Line-Entry System) or GNN-based (Graph Neural Networks) MRL methods either take SMILES strings as input that have difficulty in encoding molecule structure information, or over-emphasize the importance of GNN architectures but neglect their generalization ability. Here we propose using chemical reactions to assist learning molecule representation. The key idea of our approach is to preserve the equivalence of molecules with respect to chemical reactions in the embedding space, i.e., forcing the sum of reactant embeddings and the sum of product embeddings to be equal for each chemical equation. This constraint is proven effective to 1) keep the embedding space well-organized and 2) improve the generalization ability of molecule embeddings. Moreover, our model can use any GNN as the molecule encoder and is thus agnostic to GNN architectures. Experimental results demonstrate that our method achieves state-of-the-art performance in a variety of downstream tasks, e.g., 17.4% absolute Hit@1 gain in chemical reaction prediction, 2.3% absolute AUC gain in molecule property prediction, and 18.5% relative RMSE gain in graph-edit-distance prediction, respectively, over the best baseline method. The code is available at https://github.com/hwwang55/MolR.