pwc-archive/papers-with-abstracts huggingface dataset:
Understanding and Resolving Performance Degradation in Graph Convolutional Networks
Authors: Kuangqi Zhou, Yanfei Dong, Kaixin Wang, Wee Sun Lee, Bryan Hooi, Huan Xu, Jiashi Feng
Date: 2020-06-12 00:00:00

A Graph Convolutional Network (GCN) stacks several layers and in each layer performs a PROPagation operation (PROP) and a TRANsformation operation (TRAN) for learning node representations over graph-structured data. Though powerful, GCNs tend to suffer performance drop when the model gets deep. Previous works focus on PROPs to study and mitigate this issue, but the role of TRANs is barely investigated. In this work, we study performance degradation of GCNs by experimentally examining how stacking only TRANs or PROPs works. We find that TRANs contribute significantly, or even more than PROPs, to declining performance, and moreover that they tend to amplify node-wise feature variance in GCNs, causing variance inflammation that we identify as a key factor for causing performance drop. Motivated by such observations, we propose a variance-controlling technique termed Node Normalization (NodeNorm), which scales each node's features using its own standard deviation. Experimental results validate the effectiveness of NodeNorm on addressing performance degradation of GCNs. Specifically, it enables deep GCNs to outperform shallow ones in cases where deep models are needed, and to achieve comparable results with shallow ones on 6 benchmark datasets. NodeNorm is a generic plug-in and can well generalize to other GNN architectures. Code is publicly available at https://github.com/miafei/NodeNorm.
Reinforced Data Sampling for Model Diversification
Authors: Hoang D. Nguyen, Xuan-Son Vu, Quoc-Tuan Truong, Duc-Trong Le
Date: 2020-06-12 00:00:00
Tasks: BIG-bench Machine Learning, model

With the rising number of machine learning competitions, the world has witnessed an exciting race for the best algorithms. However, the involved data selection process may fundamentally suffer from evidence ambiguity and concept drift issues, thereby possibly leading to deleterious effects on the performance of various models. This paper proposes a new Reinforced Data Sampling (RDS) method to learn how to sample data adequately on the search for useful models and insights. We formulate the optimisation problem of model diversification $\delta{-div}$ in data sampling to maximise learning potentials and optimum allocation by injecting model diversity. This work advocates the employment of diverse base learners as value functions such as neural networks, decision trees, or logistic regressions to reinforce the selection process of data subsets with multi-modal belief. We introduce different ensemble reward mechanisms, including soft voting and stochastic choice to approximate optimal sampling policy. The evaluation conducted on four datasets evidently highlights the benefits of using RDS method over traditional sampling approaches. Our experimental results suggest that the trainable sampling for model diversification is useful for competition organisers, researchers, or even starters to pursue full potentials of various machine learning tasks such as classification and regression. The source code is available at https://github.com/probeu/RDS.
Online Metric Learning for Multi-Label Classification
Authors: Xiuwen Gong, Jiahui Yang, Dong Yuan, Wei Bao
Date: 2020-06-12 00:00:00
Tasks: Classification, General Classification, Metric Learning, Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION

Existing research into online multi-label classification, such as online sequential multi-label extreme learning machine (OSML-ELM) and stochastic gradient descent (SGD), has achieved promising performance. However, these works do not take label dependencies into consideration and lack a theoretical analysis of loss functions. Accordingly, we propose a novel online metric learning paradigm for multi-label classification to fill the current research gap. Generally, we first propose a new metric for multi-label classification which is based on $k$-Nearest Neighbour ($k$NN) and combined with large margin principle. Then, we adapt it to the online settting to derive our model which deals with massive volume ofstreaming data at a higher speed online. Specifically, in order to learn the new $k$NN-based metric, we first project instances in the training dataset into the label space, which make it possible for the comparisons of instances and labels in the same dimension. After that, we project both of them into a new lower dimension space simultaneously, which enables us to extract the structure of dependencies between instances and labels. Finally, we leverage the large margin and $k$NN principle to learn the metric with an efficient optimization algorithm. Moreover, we provide theoretical analysis on the upper bound of the cumulative loss for our method. Comprehensive experiments on a number of benchmark multi-label datasets validate our theoretical approach and illustrate that our proposed online metric learning (OML) algorithm outperforms state-of-the-art methods.
Investigating the Impact of Pre-processing and Prediction Aggregation on the DeepFake Detection Task
Authors: Polychronis Charitidis, Giorgos Kordopatis-Zilos, Symeon Papadopoulos, Ioannis Kompatsiaris
Date: 2020-06-12 00:00:00
Tasks: DeepFake Detection, Face Swapping, Prediction

Recent advances in content generation technologies (widely known as DeepFakes) along with the online proliferation of manipulated media content render the detection of such manipulations a task of increasing importance. Even though there are many DeepFake detection methods, only a few focus on the impact of dataset preprocessing and the aggregation of frame-level to video-level prediction on model performance. In this paper, we propose a pre-processing step to improve the training data quality and examine its effect on the performance of DeepFake detection. We also propose and evaluate the effect of video-level prediction aggregation approaches. Experimental results show that the proposed pre-processing approach leads to considerable improvements in the performance of detection models, and the proposed prediction aggregation scheme further boosts the detection efficiency in cases where there are multiple faces in a video.
Real-Time Optimization Of Web Publisher RTB Revenues
Authors: Pedro Chahuara, Nicolas Grislain, Grégoire Jauvion, Jean-Michel Renders
Date: 2020-06-12 00:00:00

This paper describes an engine to optimize web publisher revenues from second-price auctions. These auctions are widely used to sell online ad spaces in a mechanism called real-time bidding (RTB). Optimization within these auctions is crucial for web publishers, because setting appropriate reserve prices can significantly increase revenue. We consider a practical real-world setting where the only available information before an auction occurs consists of a user identifier and an ad placement identifier. The real-world challenges we had to tackle consist mainly of tracking the dependencies on both the user and placement in an highly non-stationary environment and of dealing with censored bid observations. These challenges led us to make the following design choices: (i) we adopted a relatively simple non-parametric regression model of auction revenue based on an incremental time-weighted matrix factorization which implicitly builds adaptive users' and placements' profiles; (ii) we jointly used a non-parametric model to estimate the first and second bids' distribution when they are censored, based on an on-line extension of the Aalen's Additive model. Our engine is a component of a deployed system handling hundreds of web publishers across the world, serving billions of ads a day to hundreds of millions of visitors. The engine is able to predict, for each auction, an optimal reserve price in approximately one millisecond and yields a significant revenue increase for the web publishers.
TorsionNet: A Reinforcement Learning Approach to Sequential Conformer Search
Authors: Tarun Gogineni, Ziping Xu, Exequiel Punzalan, Runxuan Jiang, Joshua Kammeraad, Ambuj Tewari, Paul Zimmerman
Date: 2020-06-12 00:00:00
Proceeding: NeurIPS 2020 12
Tasks: Computational chemistry, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Molecular geometry prediction of flexible molecules, or conformer search, is a long-standing challenge in computational chemistry. This task is of great importance for predicting structure-activity relationships for a wide variety of substances ranging from biomolecules to ubiquitous materials. Substantial computational resources are invested in Monte Carlo and Molecular Dynamics methods to generate diverse and representative conformer sets for medium to large molecules, which are yet intractable to chemoinformatic conformer search methods. We present TorsionNet, an efficient sequential conformer search technique based on reinforcement learning under the rigid rotor approximation. The model is trained via curriculum learning, whose theoretical benefit is explored in detail, to maximize a novel metric grounded in thermodynamics called the Gibbs Score. Our experimental results show that TorsionNet outperforms the highest scoring chemoinformatics method by 4x on large branched alkanes, and by several orders of magnitude on the previously unexplored biopolymer lignin, with applications in renewable energy.
Non-convergence of stochastic gradient descent in the training of deep neural networks
Authors: Patrick Cheridito, Arnulf Jentzen, Florian Rossmannek
Date: 2020-06-12 00:00:00

Deep neural networks have successfully been trained in various application areas with stochastic gradient descent. However, there exists no rigorous mathematical explanation why this works so well. The training of neural networks with stochastic gradient descent has four different discretization parameters: (i) the network architecture; (ii) the amount of training data; (iii) the number of gradient steps; and (iv) the number of randomly initialized gradient trajectories. While it can be shown that the approximation error converges to zero if all four parameters are sent to infinity in the right order, we demonstrate in this paper that stochastic gradient descent fails to converge for ReLU networks if their depth is much larger than their width and the number of random initializations does not increase to infinity fast enough.
Optimal Allocation of Real-Time-Bidding and Direct Campaigns
Authors: Grégoire Jauvion, Nicolas Grislain
Date: 2020-06-12 00:00:00

In this paper, we consider the problem of optimizing the revenue a web publisher gets through real-time bidding (i.e. from ads sold in real-time auctions) and direct (i.e. from ads sold through contracts agreed in advance). We consider a setting where the publisher is able to bid in the real-time bidding auction for each impression. If it wins the auction, it chooses a direct campaign to deliver and displays the corresponding ad. This paper presents an algorithm to build an optimal strategy for the publisher to deliver its direct campaigns while maximizing its real-time bidding revenue. The optimal strategy gives a formula to determine the publisher bid as well as a way to choose the direct campaign being delivered if the publisher bidder wins the auction, depending on the impression characteristics. The optimal strategy can be estimated on past auctions data. The algorithm scales with the number of campaigns and the size of the dataset. This is a very important feature, as in practice a publisher may have thousands of active direct campaigns at the same time and would like to estimate an optimal strategy on billions of auctions. The algorithm is a key component of a system which is being developed, and which will be deployed on thousands of web publishers worldwide, helping them to serve efficiently billions of ads a day to hundreds of millions of visitors.
ACMo: Angle-Calibrated Moment Methods for Stochastic Optimization
Authors: Xunpeng Huang, Runxin Xu, Hao Zhou, Zhe Wang, Zhengyang Liu, Lei LI
Date: 2020-06-12 00:00:00
Tasks: BIG-bench Machine Learning, Stochastic Optimization

Due to its simplicity and outstanding ability to generalize, stochastic gradient descent (SGD) is still the most widely used optimization method despite its slow convergence. Meanwhile, adaptive methods have attracted rising attention of optimization and machine learning communities, both for the leverage of life-long information and for the profound and fundamental mathematical theory. Taking the best of both worlds is the most exciting and challenging question in the field of optimization for machine learning. Along this line, we revisited existing adaptive gradient methods from a novel perspective, refreshing understanding of second moments. Our new perspective empowers us to attach the properties of second moments to the first moment iteration, and to propose a novel first moment optimizer, \emph{Angle-Calibrated Moment method} (\method). Our theoretical results show that \method is able to achieve the same convergence rate as mainstream adaptive methods. Furthermore, extensive experiments on CV and NLP tasks demonstrate that \method has a comparable convergence to SOTA Adam-type optimizers, and gains a better generalization performance in most cases.
Linear Time Sinkhorn Divergences using Positive Features
Authors: Meyer Scetbon, Marco Cuturi
Date: 2020-06-12 00:00:00
Proceeding: NeurIPS 2020 12

Although Sinkhorn divergences are now routinely used in data sciences to compare probability distributions, the computational effort required to compute them remains expensive, growing in general quadratically in the size $n$ of the support of these distributions. Indeed, solving optimal transport (OT) with an entropic regularization requires computing a $n\times n$ kernel matrix (the neg-exponential of a $n\times n$ pairwise ground cost matrix) that is repeatedly applied to a vector. We propose to use instead ground costs of the form $c(x,y)=-\log\dotp{\varphi(x)}{\varphi(y)}$ where $\varphi$ is a map from the ground space onto the positive orthant $\RR^r_+$, with $r\ll n$. This choice yields, equivalently, a kernel $k(x,y)=\dotp{\varphi(x)}{\varphi(y)}$, and ensures that the cost of Sinkhorn iterations scales as $O(nr)$. We show that usual cost functions can be approximated using this form. Additionaly, we take advantage of the fact that our approach yields approximation that remain fully differentiable with respect to input distributions, as opposed to previously proposed adaptive low-rank approximations of the kernel matrix, to train a faster variant of OT-GAN \cite{salimans2018improving}.
Learning the Travelling Salesperson Problem Requires Rethinking Generalization
Authors: Chaitanya K. Joshi, Quentin Cappart, Louis-Martin Rousseau, Thomas Laurent
Date: 2020-06-12 00:00:00
Tasks: Combinatorial Optimization, Transfer Learning, Zero-shot Generalization

End-to-end training of neural network solvers for graph combinatorial optimization problems such as the Travelling Salesperson Problem (TSP) have seen a surge of interest recently, but remain intractable and inefficient beyond graphs with few hundreds of nodes. While state-of-the-art learning-driven approaches for TSP perform closely to classical solvers when trained on trivially small sizes, they are unable to generalize the learnt policy to larger instances at practical scales. This work presents an end-to-end neural combinatorial optimization pipeline that unifies several recent papers in order to identify the inductive biases, model architectures and learning algorithms that promote generalization to instances larger than those seen in training. Our controlled experiments provide the first principled investigation into such zero-shot generalization, revealing that extrapolating beyond training data requires rethinking the neural combinatorial optimization pipeline, from network layers and learning paradigms to evaluation protocols. Additionally, we analyze recent advances in deep learning for routing problems through the lens of our pipeline and provide new directions to stimulate future research.
Disentangled Representation Learning and Generation with Manifold Optimization
Authors: Arun Pandey, Michael Fanuel, Joachim Schreurs, Johan A. K. Suykens
Date: 2020-06-12 00:00:00
Tasks: Disentanglement, Representation Learning, Stochastic Optimization

Disentanglement is a useful property in representation learning which increases the interpretability of generative models such as Variational autoencoders (VAE), Generative Adversarial Models, and their many variants. Typically in such models, an increase in disentanglement performance is traded-off with generation quality. In the context of latent space models, this work presents a representation learning framework that explicitly promotes disentanglement by encouraging orthogonal directions of variations. The proposed objective is the sum of an autoencoder error term along with a Principal Component Analysis reconstruction error in the feature space. This has an interpretation of a Restricted Kernel Machine with the eigenvector matrix-valued on the Stiefel manifold. Our analysis shows that such a construction promotes disentanglement by matching the principal directions in the latent space with the directions of orthogonal variation in data space. In an alternating minimization scheme, we use Cayley ADAM algorithm - a stochastic optimization method on the Stiefel manifold along with the ADAM optimizer. Our theoretical discussion and various experiments show that the proposed model improves over many VAE variants in terms of both generation quality and disentangled representation learning.
Language-Conditioned Goal Generation: a New Approach to Language Grounding for RL
Authors: Cédric Colas, Ahmed Akakzia, Pierre-Yves Oudeyer, Mohamed Chetouani, Olivier Sigaud
Date: 2020-06-12 00:00:00
Tasks: Diversity, Instruction Following, Language Acquisition

In the real world, linguistic agents are also embodied agents: they perceive and act in the physical world. The notion of Language Grounding questions the interactions between language and embodiment: how do learning agents connect or ground linguistic representations to the physical world ? This question has recently been approached by the Reinforcement Learning community under the framework of instruction-following agents. In these agents, behavioral policies or reward functions are conditioned on the embedding of an instruction expressed in natural language. This paper proposes another approach: using language to condition goal generators. Given any goal-conditioned policy, one could train a language-conditioned goal generator to generate language-agnostic goals for the agent. This method allows to decouple sensorimotor learning from language acquisition and enable agents to demonstrate a diversity of behaviors for any given instruction. We propose a particular instantiation of this approach and demonstrate its benefits.
Recurrent Neural Networks for Stochastic Control in Real-Time Bidding
Authors: Nicolas Grislain, Nicolas Perrin, Antoine Thabault
Date: 2020-06-12 00:00:00

Bidding in real-time auctions can be a difficult stochastic control task; especially if underdelivery incurs strong penalties and the market is very uncertain. Most current works and implementations focus on optimally delivering a campaign given a reasonable forecast of the market. Practical implementations have a feedback loop to adjust and be robust to forecasting errors, but no implementation, to the best of our knowledge, uses a model of market risk and actively anticipates market shifts. Solving such stochastic control problems in practice is actually very challenging. This paper proposes an approximate solution based on a Recurrent Neural Network (RNN) architecture that is both effective and practical for implementation in a production environment. The RNN bidder provisions everything it needs to avoid missing its goal. It also deliberately falls short of its goal when buying the missing impressions would cost more than the penalty for not reaching it.
Mutual Information Based Knowledge Transfer Under State-Action Dimension Mismatch
Authors: Michael Wan, Tanmay Gangwani, Jian Peng
Date: 2020-06-12 00:00:00
Tasks: Decision Making, Deep Reinforcement Learning, Reinforcement Learning (RL), Sequential Decision Making, Transfer Learning

Deep reinforcement learning (RL) algorithms have achieved great success on a wide variety of sequential decision-making tasks. However, many of these algorithms suffer from high sample complexity when learning from scratch using environmental rewards, due to issues such as credit-assignment and high-variance gradients, among others. Transfer learning, in which knowledge gained on a source task is applied to more efficiently learn a different but related target task, is a promising approach to improve the sample complexity in RL. Prior work has considered using pre-trained teacher policies to enhance the learning of the student policy, albeit with the constraint that the teacher and the student MDPs share the state-space or the action-space. In this paper, we propose a new framework for transfer learning where the teacher and the student can have arbitrarily different state- and action-spaces. To handle this mismatch, we produce embeddings which can systematically extract knowledge from the teacher policy and value networks, and blend it into the student networks. To train the embeddings, we use a task-aligned loss and show that the representations could be enriched further by adding a mutual information loss. Using a set of challenging simulated robotic locomotion tasks involving many-legged centipedes, we demonstrate successful transfer learning in situations when the teacher and student have different state- and action-spaces.
Learning Decomposed Representation for Counterfactual Inference
Authors: Anpeng Wu, Kun Kuang, Junkun Yuan, Bo Li, Runze Wu, Qiang Zhu, Yueting Zhuang, Fei Wu
Date: 2020-06-12 00:00:00
Tasks: counterfactual, Counterfactual Inference

The fundamental problem in treatment effect estimation from observational data is confounder identification and balancing. Most of the previous methods realized confounder balancing by treating all observed pre-treatment variables as confounders, ignoring further identifying confounders and non-confounders. In general, not all the observed pre-treatment variables are confounders that refer to the common causes of the treatment and the outcome, some variables only contribute to the treatment and some only contribute to the outcome. Balancing those non-confounders, including instrumental variables and adjustment variables, would generate additional bias for treatment effect estimation. By modeling the different causal relations among observed pre-treatment variables, treatment and outcome, we propose a synergistic learning framework to 1) identify confounders by learning decomposed representations of both confounders and non-confounders, 2) balance confounder with sample re-weighting technique, and simultaneously 3) estimate the treatment effect in observational studies via counterfactual inference. Empirical results on synthetic and real-world datasets demonstrate that the proposed method can precisely decompose confounders and achieve a more precise estimation of treatment effect than baselines.