pwc-archive/papers-with-abstracts huggingface dataset:
Well-tuned Simple Nets Excel on Tabular Datasets
Authors: Arlind Kadra, Marius Lindauer, Frank Hutter, Josif Grabocka
Date: 2021-06-21 00:00:00
Proceeding: NeurIPS 2021 12

Tabular datasets are the last "unconquered castle" for deep learning, with traditional ML methods like Gradient-Boosted Decision Trees still performing strongly even against recent specialized neural architectures. In this paper, we hypothesize that the key to boosting the performance of neural networks lies in rethinking the joint and simultaneous application of a large set of modern regularization techniques. As a result, we propose regularizing plain Multilayer Perceptron (MLP) networks by searching for the optimal combination/cocktail of 13 regularization techniques for each dataset using a joint optimization over the decision on which regularizers to apply and their subsidiary hyperparameters. We empirically assess the impact of these regularization cocktails for MLPs in a large-scale empirical study comprising 40 tabular datasets and demonstrate that (i) well-regularized plain MLPs significantly outperform recent state-of-the-art specialized neural network architectures, and (ii) they even outperform strong traditional ML methods, such as XGBoost.
Generalization Bounds with Minimal Dependency on Hypothesis Class via Distributionally Robust Optimization
Authors: Yibo Zeng, Henry Lam
Date: 2021-06-21 00:00:00
Tasks: BIG-bench Machine Learning, Generalization Bounds

Established approaches to obtain generalization bounds in data-driven optimization and machine learning mostly build on solutions from empirical risk minimization (ERM), which depend crucially on the functional complexity of the hypothesis class. In this paper, we present an alternate route to obtain these bounds on the solution from distributionally robust optimization (DRO), a recent data-driven optimization framework based on worst-case analysis and the notion of ambiguity set to capture statistical uncertainty. In contrast to the hypothesis class complexity in ERM, our DRO bounds depend on the ambiguity set geometry and its compatibility with the true loss function. Notably, when using statistical distances such as maximum mean discrepancy, Wasserstein distance, or $\phi$-divergence in the DRO, our analysis implies generalization bounds whose dependence on the hypothesis class appears the minimal possible: The bound depends solely on the true loss function, independent of any other candidates in the hypothesis class. To our best knowledge, it is the first generalization bound of this type in the literature, and we hope our findings can open the door for a better understanding of DRO, especially its benefits on loss minimization and other machine learning applications.
Effects of boundary conditions in fully convolutional networks for learning spatio-temporal dynamics
Authors: Antonio Alguacil, Wagner Gonçalves Pinto, Michael Bauerheim, Marc C. Jacob, Stéphane Moreau
Date: 2021-06-21 00:00:00

Accurate modeling of boundary conditions is crucial in computational physics. The ever increasing use of neural networks as surrogates for physics-related problems calls for an improved understanding of boundary condition treatment, and its influence on the network accuracy. In this paper, several strategies to impose boundary conditions (namely padding, improved spatial context, and explicit encoding of physical boundaries) are investigated in the context of fully convolutional networks applied to recurrent tasks. These strategies are evaluated on two spatio-temporal evolving problems modeled by partial differential equations: the 2D propagation of acoustic waves (hyperbolic PDE) and the heat equation (parabolic PDE). Results reveal a high sensitivity of both accuracy and stability on the boundary implementation in such recurrent tasks. It is then demonstrated that the choice of the optimal padding strategy is directly linked to the data semantics. Furthermore, the inclusion of additional input spatial context or explicit physics-based rules allows a better handling of boundaries in particular for large number of recurrences, resulting in more robust and stable neural networks, while facilitating the design and versatility of such networks.
Scientific multi-agent reinforcement learning for wall-models of turbulent flows
Authors: H. Jane Bae, Petros Koumoutsakos
Date: 2021-06-21 00:00:00
Tasks: Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning (RL)

The predictive capabilities of turbulent flow simulations, critical for aerodynamic design and weather prediction, hinge on the choice of turbulence models. The abundance of data from experiments and simulations and the advent of machine learning have provided a boost to turbulence modeling efforts. However, simulations of turbulent flows remain hindered by the inability of heuristics and supervised learning to model the near-wall dynamics. We address this challenge by introducing scientific multi-agent reinforcement learning (SciMARL) for the discovery of wall models for large-eddy simulations (LES). In SciMARL, discretization points act also as cooperating agents that learn to supply the LES closure model. The agents self-learn using limited data and generalize to extreme Reynolds numbers and previously unseen geometries. The present simulations reduce by several orders of magnitude the computational cost over fully-resolved simulations while reproducing key flow quantities. We believe that SciMARL creates unprecedented capabilities for the simulation of turbulent flows.
Matrix Encoding Networks for Neural Combinatorial Optimization
Authors: Yeong-Dae Kwon, Jinho Choo, Iljoo Yoon, Minah Park, Duwon Park, Youngjune Gwon
Date: 2021-06-21 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Combinatorial Optimization

Machine Learning (ML) can help solve combinatorial optimization (CO) problems better. A popular approach is to use a neural net to compute on the parameters of a given CO problem and extract useful information that guides the search for good solutions. Many CO problems of practical importance can be specified in a matrix form of parameters quantifying the relationship between two groups of items. There is currently no neural net model, however, that takes in such matrix-style relationship data as an input. Consequently, these types of CO problems have been out of reach for ML engineers. In this paper, we introduce Matrix Encoding Network (MatNet) and show how conveniently it takes in and processes parameters of such complex CO problems. Using an end-to-end model based on MatNet, we solve asymmetric traveling salesman (ATSP) and flexible flow shop (FFSP) problems as the earliest neural approach. In particular, for a class of FFSP we have tested MatNet on, we demonstrate a far superior empirical performance to any methods (neural or not) known to date.
Multivariate Data Explanation by Jumping Emerging Patterns Visualization
Authors: Mário Popolin Neto, Fernando V. Paulovich
Date: 2021-06-21 00:00:00
Tasks: Classification, Descriptive

Visual Analytics (VA) tools and techniques have been instrumental in supporting users to build better classification models, interpret models' overall logic, and audit results. In a different direction, VA has recently been applied to transform classification models into descriptive mechanisms instead of predictive. The idea is to use such models as surrogates for data patterns, visualizing the model to understand the phenomenon represented by the data. Although very useful and inspiring, the few proposed approaches have opted to use low complex classification models to promote straightforward interpretation, presenting limitations to capture intricate data patterns. In this paper, we present VAX (multiVariate dAta eXplanation), a new VA method to support the identification and visual interpretation of patterns in multivariate datasets. Unlike the existing similar approaches, VAX uses the concept of Jumping Emerging Patterns to identify and aggregate several diversified patterns, producing explanations through logic combinations of data variables. The potential of VAX to interpret complex multivariate datasets is demonstrated through use cases employing two real-world datasets covering different scenarios.
Low-rank Dictionary Learning for Unsupervised Feature Selection
Authors: Mohsen Ghassemi Parsa, Hadi Zare, Mehdi Ghatee
Date: 2021-06-21 00:00:00
Tasks: Dictionary Learning, Feature Correlation, feature selection

There exist many high-dimensional data in real-world applications such as biology, computer vision, and social networks. Feature selection approaches are devised to confront with high-dimensional data challenges with the aim of efficient learning technologies as well as reduction of models complexity. Due to the hardship of labeling on these datasets, there are a variety of approaches on feature selection process in an unsupervised setting by considering some important characteristics of data. In this paper, we introduce a novel unsupervised feature selection approach by applying dictionary learning ideas in a low-rank representation. Dictionary learning in a low-rank representation not only enables us to provide a new representation, but it also maintains feature correlation. Then, spectral analysis is employed to preserve sample similarities. Finally, a unified objective function for unsupervised feature selection is proposed in a sparse way by an $\ell_{2,1}$-norm regularization. Furthermore, an efficient numerical algorithm is designed to solve the corresponding optimization problem. We demonstrate the performance of the proposed method based on a variety of standard datasets from different applied domains. Our experimental findings reveal that the proposed method outperforms the state-of-the-art algorithm.
Analytically Tractable Bayesian Deep Q-Learning
Authors: Luong Ha, Nguyen, James-A. Goulet
Date: 2021-06-21 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Q-Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Reinforcement learning (RL) has gained increasing interest since the demonstration it was able to reach human performance on video game benchmarks using deep Q-learning (DQN). The current consensus for training neural networks on such complex environments is to rely on gradient-based optimization. Although alternative Bayesian deep learning methods exist, most of them still rely on gradient-based optimization, and they typically do not scale on benchmarks such as the Atari game environment. Moreover none of these approaches allow performing the analytical inference for the weights and biases defining the neural network. In this paper, we present how we can adapt the temporal difference Q-learning framework to make it compatible with the tractable approximate Gaussian inference (TAGI), which allows learning the parameters of a neural network using a closed-form analytical method. Throughout the experiments with on- and off-policy reinforcement learning approaches, we demonstrate that TAGI can reach a performance comparable to backpropagation-trained networks while using fewer hyperparameters, and without relying on gradient-based optimization.
Conditional Neural Relational Inference for Interacting Systems
Authors: Joao A. Candido Ramos, Lionel Blondé, Stéphane Armand, Alexandros Kalousis
Date: 2021-06-21 00:00:00

In this work, we want to learn to model the dynamics of similar yet distinct groups of interacting objects. These groups follow some common physical laws that exhibit specificities that are captured through some vectorial description. We develop a model that allows us to do conditional generation from any such group given its vectorial description. Unlike previous work on learning dynamical systems that can only do trajectory completion and require a part of the trajectory dynamics to be provided as input in generation time, we do generation using only the conditioning vector with no access to generation time's trajectories. We evaluate our model in the setting of modeling human gait and, in particular pathological human gait.
Affine-Invariant Integrated Rank-Weighted Depth: Definition, Properties and Finite Sample Analysis
Authors: Guillaume Staerman, Pavlo Mozharovskyi, Stéphan Clémençon
Date: 2021-06-21 00:00:00
Tasks: Anomaly Detection

Because it determines a center-outward ordering of observations in $\mathbb{R}^d$ with $d\geq 2$, the concept of statistical depth permits to define quantiles and ranks for multivariate data and use them for various statistical tasks (e.g. inference, hypothesis testing). Whereas many depth functions have been proposed \textit{ad-hoc} in the literature since the seminal contribution of \cite{Tukey75}, not all of them possess the properties desirable to emulate the notion of quantile function for univariate probability distributions. In this paper, we propose an extension of the \textit{integrated rank-weighted} statistical depth (IRW depth in abbreviated form) originally introduced in \cite{IRW}, modified in order to satisfy the property of \textit{affine-invariance}, fulfilling thus all the four key axioms listed in the nomenclature elaborated by \cite{ZuoS00a}. The variant we propose, referred to as the Affine-Invariant IRW depth (AI-IRW in short), involves the covariance/precision matrices of the (supposedly square integrable) $d$-dimensional random vector $X$ under study, in order to take into account the directions along which $X$ is most variable to assign a depth value to any point $x\in \mathbb{R}^d$. The accuracy of the sampling version of the AI-IRW depth is investigated from a nonasymptotic perspective. Namely, a concentration result for the statistical counterpart of the AI-IRW depth is proved. Beyond the theoretical analysis carried out, applications to anomaly detection are considered and numerical results are displayed, providing strong empirical evidence of the relevance of the depth function we propose here.
Improving Multi-Modal Learning with Uni-Modal Teachers
Authors: Chenzhuang Du, Tingle Li, Yichen Liu, Zixin Wen, Tianyu Hua, Yue Wang, Hang Zhao
Date: 2021-06-21 00:00:00
Tasks: Image Segmentation, Semantic Segmentation

Learning multi-modal representations is an essential step towards real-world robotic applications, and various multi-modal fusion models have been developed for this purpose. However, we observe that existing models, whose objectives are mostly based on joint training, often suffer from learning inferior representations of each modality. We name this problem Modality Failure, and hypothesize that the imbalance of modalities and the implicit bias of common objectives in fusion method prevent encoders of each modality from sufficient feature learning. To this end, we propose a new multi-modal learning method, Uni-Modal Teacher, which combines the fusion objective and uni-modal distillation to tackle the modality failure problem. We show that our method not only drastically improves the representation of each modality, but also improves the overall multi-modal task performance. Our method can be effectively generalized to most multi-modal fusion approaches. We achieve more than 3% improvement on the VGGSound audio-visual classification task, as well as improving performance on the NYU depth V2 RGB-D image segmentation task.
Towards Better Shale Gas Production Forecasting Using Transfer Learning
Authors: Omar S. Alolayan, Samuel J. Raymond, Justin B. Montgomery, John R. Williams
Date: 2021-06-21 00:00:00
Tasks: Production Forecasting, Transfer Learning

Deep neural networks can generate more accurate shale gas production forecasts in counties with a limited number of sample wells by utilizing transfer learning. This paper provides a way of transferring the knowledge gained from other deep neural network models trained on adjacent counties into the county of interest. The paper uses data from more than 6000 shale gas wells across 17 counties from Texas Barnett and Pennsylvania Marcellus shale formations to test the capabilities of transfer learning. The results reduce the forecasting error between 11% and 47% compared to the widely used Arps decline curve model.
Neural Controlled Differential Equations for Online Prediction Tasks
Authors: James Morrill, Patrick Kidger, Lingyi Yang, Terry Lyons
Date: 2021-06-21 00:00:00
Tasks: Irregular Time Series, Prediction, Time Series, Time Series Analysis

Neural controlled differential equations (Neural CDEs) are a continuous-time extension of recurrent neural networks (RNNs), achieving state-of-the-art (SOTA) performance at modelling functions of irregular time series. In order to interpret discrete data in continuous time, current implementations rely on non-causal interpolations of the data. This is fine when the whole time series is observed in advance, but means that Neural CDEs are not suitable for use in \textit{online prediction tasks}, where predictions need to be made in real-time: a major use case for recurrent networks. Here, we show how this limitation may be rectified. First, we identify several theoretical conditions that interpolation schemes for Neural CDEs should satisfy, such as boundedness and uniqueness. Second, we use these to motivate the introduction of new schemes that address these conditions, offering in particular measurability (for online prediction), and smoothness (for speed). Third, we empirically benchmark our online Neural CDE model on three continuous monitoring tasks from the MIMIC-IV medical database: we demonstrate improved performance on all tasks against ODE benchmarks, and on two of the three tasks against SOTA non-ODE benchmarks.
Friendly Training: Neural Networks Can Adapt Data To Make Learning Easier
Authors: Simone Marullo, Matteo Tiezzi, Marco Gori, Stefano Melacci
Date: 2021-06-21 00:00:00

In the last decade, motivated by the success of Deep Learning, the scientific community proposed several approaches to make the learning procedure of Neural Networks more effective. When focussing on the way in which the training data are provided to the learning machine, we can distinguish between the classic random selection of stochastic gradient-based optimization and more involved techniques that devise curricula to organize data, and progressively increase the complexity of the training set. In this paper, we propose a novel training procedure named Friendly Training that, differently from the aforementioned approaches, involves altering the training examples in order to help the model to better fulfil its learning criterion. The model is allowed to simplify those examples that are too hard to be classified at a certain stage of the training procedure. The data transformation is controlled by a developmental plan that progressively reduces its impact during training, until it completely vanishes. In a sense, this is the opposite of what is commonly done in order to increase robustness against adversarial examples, i.e., Adversarial Training. Experiments on multiple datasets are provided, showing that Friendly Training yields improvements with respect to informed data sub-selection routines and random selection, especially in deep convolutional architectures. Results suggest that adapting the input data is a feasible way to stabilize learning and improve the generalization skills of the network.
Anticipatory Detection of Compulsive Body-focused Repetitive Behaviors with Wearables
Authors: Benjamin Lucas Searle, Dimitris Spathis, Marios Constantinides, Daniele Quercia, Cecilia Mascolo
Date: 2021-06-21 00:00:00

Body-focused repetitive behaviors (BFRBs), like face-touching or skin-picking, are hand-driven behaviors which can damage one's appearance, if not identified early and treated. Technology for automatic detection is still under-explored, with few previous works being limited to wearables with single modalities (e.g., motion). Here, we propose a multi-sensory approach combining motion, orientation, and heart rate sensors to detect BFRBs. We conducted a feasibility study in which participants (N=10) were exposed to BFRBs-inducing tasks, and analyzed 380 mins of signals under an extensive evaluation of sensing modalities, cross-validation methods, and observation windows. Our models achieved an AUC > 0.90 in distinguishing BFRBs, which were more evident in observation windows 5 mins prior to the behavior as opposed to 1-min ones. In a follow-up qualitative survey, we found that not only the timing of detection matters but also models need to be context-aware, when designing just-in-time interventions to prevent BFRBs.
Towards a Framework for Changing-Contact Robot Manipulation
Authors: Saif Sidhik, Mohan Sridharan, Dirk Ruiken
Date: 2021-06-21 00:00:00
Tasks: Robot Manipulation

Many robot manipulation tasks require the robot to make and break contact with objects and surfaces. The dynamics of such changing-contact robot manipulation tasks are discontinuous when contact is made or broken, and continuous elsewhere. These discontinuities make it difficult to construct and use a single dynamics model or control strategy for any such task. We present a framework for smooth dynamics and control of such changing-contact manipulation tasks. For any given target motion trajectory, the framework incrementally improves its prediction of when contacts will occur. This prediction and a model relating approach velocity to impact force modify the velocity profile of the motion sequence such that it is $C^\infty$ smooth, and help achieve a desired force on impact. We implement this framework by building on our hybrid force-motion variable impedance controller for continuous contact tasks. We experimentally evaluate our framework in the illustrative context of sliding tasks involving multiple contact changes with transitions between surfaces of different properties.
Extractive approach for text summarisation using graphs
Authors: Kastriot Kadriu, Milenko Obradovic
Date: 2021-06-21 00:00:00
Tasks: Sentence, Sentence Similarity, Text Summarization

Natural language processing is an important discipline with the aim of understanding text by its digital representation, that due to the diverse way we write and speak, is often not accurate enough. Our paper explores different graph-related algorithms that can be used in solving the text summarization problem using an extractive approach. We consider two metrics: sentence overlap and edit distance for measuring sentence similarity.
Spliced Binned-Pareto Distribution for Robust Modeling of Heavy-tailed Time Series
Authors: Elena Ehrlich, Laurent Callot, François-Xavier Aubet
Date: 2021-06-21 00:00:00
Tasks: Anomaly Detection, Time Series, Time Series Analysis, Time Series Anomaly Detection

This work proposes a novel method to robustly and accurately model time series with heavy-tailed noise, in non-stationary scenarios. In many practical application time series have heavy-tailed noise that significantly impacts the performance of classical forecasting models; in particular, accurately modeling a distribution over extreme events is crucial to performing accurate time series anomaly detection. We propose a Spliced Binned-Pareto distribution which is both robust to extreme observations and allows accurate modeling of the full distribution. Our method allows the capture of time dependencies in the higher order moments of the distribution such as the tail heaviness. We compare the robustness and the accuracy of the tail estimation of our method to other state of the art methods on Twitter mentions count time series.