pwc-archive/papers-with-abstracts huggingface dataset:
Generalized Kernel Thinning
Authors: Raaz Dwivedi, Lester Mackey
Date: 2021-10-04 00:00:00
Proceeding: ICLR 2022 4

The kernel thinning (KT) algorithm of Dwivedi and Mackey (2021) compresses a probability distribution more effectively than independent sampling by targeting a reproducing kernel Hilbert space (RKHS) and leveraging a less smooth square-root kernel. Here we provide four improvements. First, we show that KT applied directly to the target RKHS yields tighter, dimension-free guarantees for any kernel, any distribution, and any fixed function in the RKHS. Second, we show that, for analytic kernels like Gaussian, inverse multiquadric, and sinc, target KT admits maximum mean discrepancy (MMD) guarantees comparable to or better than those of square-root KT without making explicit use of a square-root kernel. Third, we prove that KT with a fractional power kernel yields better-than-Monte-Carlo MMD guarantees for non-smooth kernels, like Laplace and Mat\'ern, that do not have square-roots. Fourth, we establish that KT applied to a sum of the target and power kernels (a procedure we call KT+) simultaneously inherits the improved MMD guarantees of power KT and the tighter individual function guarantees of target KT. In our experiments with target KT and KT+, we witness significant improvements in integration error even in $100$ dimensions and when compressing challenging differential equation posteriors.
Information-theoretic generalization bounds for black-box learning algorithms
Authors: Hrayr Harutyunyan, Maxim Raginsky, Greg Ver Steeg, Aram Galstyan
Date: 2021-10-04 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Generalization Bounds

We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
An Empirical Investigation of Learning from Biased Toxicity Labels
Authors: Neel Nanda, Jonathan Uesato, Sven Gowal
Date: 2021-10-04 00:00:00
Tasks: Fairness

Collecting annotations from human raters often results in a trade-off between the quantity of labels one wishes to gather and the quality of these labels. As such, it is often only possible to gather a small amount of high-quality labels. In this paper, we study how different training strategies can leverage a small dataset of human-annotated labels and a large but noisy dataset of synthetically generated labels (which exhibit bias against identity groups) for predicting toxicity of online comments. We evaluate the accuracy and fairness properties of these approaches, and trade-offs between the two. While we find that initial training on all of the data and fine-tuning on clean data produces models with the highest AUC, we find that no single strategy performs best across all fairness metrics.
A Modified Q-Learning Algorithm for Rate-Profiling of Polarization Adjusted Convolutional (PAC) Codes
Authors: Samir Kumar Mishra, Digvijay Katyal, Sarvesha Anegundi Ganapathi
Date: 2021-10-04 00:00:00
Tasks: Q-Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

In this paper, we propose a reinforcement learning based algorithm for rate-profile construction of Arikan's Polarization Assisted Convolutional (PAC) codes. This method can be used for any blocklength, rate, list size under successive cancellation list (SCL) decoding and convolutional precoding polynomial. To the best of our knowledge, we present, for the first time, a set of new reward and update strategies which help the reinforcement learning agent discover much better rate-profiles than those present in existing literature. Simulation results show that PAC codes constructed with the proposed algorithm perform better in terms of frame erasure rate (FER) compared to the PAC codes constructed with contemporary rate profiling designs for various list lengths. Further, by using a (64, 32) PAC code as an example, it is shown that the choice of convolutional precoding polynomial can have a significant impact on rate-profile construction of PAC codes.
Stochastic Anderson Mixing for Nonconvex Stochastic Optimization
Authors: Fuchao Wei, Chenglong Bao, Yang Liu
Date: 2021-10-04 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: image-classification, Image Classification, Language Modeling, Language Modelling, Stochastic Optimization

Anderson mixing (AM) is an acceleration method for fixed-point iterations. Despite its success and wide usage in scientific computing, the convergence theory of AM remains unclear, and its applications to machine learning problems are not well explored. In this paper, by introducing damped projection and adaptive regularization to classical AM, we propose a Stochastic Anderson Mixing (SAM) scheme to solve nonconvex stochastic optimization problems. Under mild assumptions, we establish the convergence theory of SAM, including the almost sure convergence to stationary points and the worst-case iteration complexity. Moreover, the complexity bound can be improved when randomly choosing an iterate as the output. To further accelerate the convergence, we incorporate a variance reduction technique into the proposed SAM. We also propose a preconditioned mixing strategy for SAM which can empirically achieve faster convergence or better generalization ability. Finally, we apply the SAM method to train various neural networks including the vanilla CNN, ResNets, WideResNet, ResNeXt, DenseNet and RNN. Experimental results on image classification and language model demonstrate the advantages of our method.
Differentiable Spline Approximations
Authors: Minsu Cho, Aditya Balu, Ameya Joshi, Anjana Deva Prasad, Biswajit Khara, Soumik Sarkar, Baskar Ganapathysubramanian, Adarsh Krishnamurthy, Chinmay Hegde
Date: 2021-10-04 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: 3D Point Cloud Reconstruction, BIG-bench Machine Learning, Form, Image Segmentation, Point cloud reconstruction, Semantic Segmentation

The paradigm of differentiable programming has significantly enhanced the scope of machine learning via the judicious use of gradient-based optimization. However, standard differentiable programming methods (such as autodiff) typically require that the machine learning models be differentiable, limiting their applicability. Our goal in this paper is to use a new, principled approach to extend gradient-based optimization to functions well modeled by splines, which encompass a large family of piecewise polynomial models. We derive the form of the (weak) Jacobian of such functions and show that it exhibits a block-sparse structure that can be computed implicitly and efficiently. Overall, we show that leveraging this redesigned Jacobian in the form of a differentiable "layer" in predictive models leads to improved performance in diverse applications such as image segmentation, 3D point cloud reconstruction, and finite element analysis.
Large Batch Experience Replay
Authors: Thibault Lahire, Matthieu Geist, Emmanuel Rachelson
Date: 2021-10-04 00:00:00
Tasks: Atari Games, Deep Reinforcement Learning, Reinforcement Learning (RL)

Several algorithms have been proposed to sample non-uniformly the replay buffer of deep Reinforcement Learning (RL) agents to speed-up learning, but very few theoretical foundations of these sampling schemes have been provided. Among others, Prioritized Experience Replay appears as a hyperparameter sensitive heuristic, even though it can provide good performance. In this work, we cast the replay buffer sampling problem as an importance sampling one for estimating the gradient. This allows deriving the theoretically optimal sampling distribution, yielding the best theoretical convergence speed. Elaborating on the knowledge of the ideal sampling scheme, we exhibit new theoretical foundations of Prioritized Experience Replay. The optimal sampling distribution being intractable, we make several approximations providing good results in practice and introduce, among others, LaBER (Large Batch Experience Replay), an easy-to-code and efficient method for sampling the replay buffer. LaBER, which can be combined with Deep Q-Networks, distributional RL agents or actor-critic methods, yields improved performance over a diverse range of Atari games and PyBullet environments, compared to the base agent it is implemented on and to other prioritization schemes.
A Review of the Gumbel-max Trick and its Extensions for Discrete Stochasticity in Machine Learning
Authors: Iris A. M. Huijben, Wouter Kool, Max B. Paulus, Ruud J. G. van Sloun
Date: 2021-10-04 00:00:00
Tasks: BIG-bench Machine Learning

The Gumbel-max trick is a method to draw a sample from a categorical distribution, given by its unnormalized (log-)probabilities. Over the past years, the machine learning community has proposed several extensions of this trick to facilitate, e.g., drawing multiple samples, sampling from structured domains, or gradient estimation for error backpropagation in neural network optimization. The goal of this survey article is to present background about the Gumbel-max trick, and to provide a structured overview of its extensions to ease algorithm selection. Moreover, it presents a comprehensive outline of (machine learning) literature in which Gumbel-based algorithms have been leveraged, reviews commonly-made design choices, and sketches a future perspective.
Fairness and underspecification in acoustic scene classification: The case for disaggregated evaluations
Authors: Andreas Triantafyllopoulos, Manuel Milling, Konstantinos Drossos, Björn W. Schuller
Date: 2021-10-04 00:00:00
Tasks: Acoustic Scene Classification, Fairness, Scene Classification

Underspecification and fairness in machine learning (ML) applications have recently become two prominent issues in the ML community. Acoustic scene classification (ASC) applications have so far remained unaffected by this discussion, but are now becoming increasingly used in real-world systems where fairness and reliability are critical aspects. In this work, we argue for the need of a more holistic evaluation process for ASC models through disaggregated evaluations. This entails taking into account performance differences across several factors, such as city, location, and recording device. Although these factors play a well-understood role in the performance of ASC models, most works report single evaluation metrics taking into account all different strata of a particular dataset. We argue that metrics computed on specific sub-populations of the underlying data contain valuable information about the expected real-world behaviour of proposed systems, and their reporting could improve the transparency and trustability of such systems. We demonstrate the effectiveness of the proposed evaluation process in uncovering underspecification and fairness problems exhibited by several standard ML architectures when trained on two widely-used ASC datasets. Our evaluation shows that all examined architectures exhibit large biases across all factors taken into consideration, and in particular with respect to the recording location. Additionally, different architectures exhibit different biases even though they are trained with the same experimental configurations.
Risk-Aware Learning for Scalable Voltage Optimization in Distribution Grids
Authors: Shanny Lin, Shaohui Liu, Hao Zhu
Date: 2021-10-04 00:00:00
Tasks: Decision Making

Real-time coordination of distributed energy resources (DERs) is crucial for regulating the voltage profile in distribution grids. By capitalizing on a scalable neural network (NN) architecture, one can attain decentralized DER decisions to address the lack of real-time communications. This paper develops an advanced learning-enabled DER coordination scheme by accounting for the potential risks associated with reactive power prediction and voltage deviation. Such risks are quantified by the conditional value-at-risk (CVaR) using the worst-case samples only, and we propose a mini-batch selection algorithm to address the training speed issue in minimizing the CVaR-regularized loss. Numerical tests using real-world data on the IEEE 123-bus test case have demonstrated the computation and safety improvements of the proposed risk-aware learning algorithm for decentralized DER decision making, especially in terms of reducing feeder voltage violations.
HyperTeNet: Hypergraph and Transformer-based Neural Network for Personalized List Continuation
Authors: Vijaikumar M, Deepesh Hada, Shirish Shevade
Date: 2021-10-04 00:00:00
Tasks: Entity Embeddings

The personalized list continuation (PLC) task is to curate the next items to user-generated lists (ordered sequence of items) in a personalized way. The main challenge in this task is understanding the ternary relationships among the interacting entities (users, items, and lists) that the existing works do not consider. Further, they do not take into account the multi-hop relationships among entities of the same type. In addition, capturing the sequential information amongst the items already present in the list also plays a vital role in determining the next relevant items that get curated. In this work, we propose HyperTeNet -- a self-attention hypergraph and Transformer-based neural network architecture for the personalized list continuation task to address the challenges mentioned above. We use graph convolutions to learn the multi-hop relationship among the entities of the same type and leverage a self-attention-based hypergraph neural network to learn the ternary relationships among the interacting entities via hyperlink prediction in a 3-uniform hypergraph. Further, the entity embeddings are shared with a Transformer-based architecture and are learned through an alternating optimization procedure. As a result, this network also learns the sequential information needed to curate the next items to be added to the list. Experimental results demonstrate that HyperTeNet significantly outperforms the other state-of-the-art models on real-world datasets. Our implementation and datasets are available at https://github.com/mvijaikumar/HyperTeNet.
Asynchronous Upper Confidence Bound Algorithms for Federated Linear Bandits
Authors: Chuanhao Li, Hongning Wang
Date: 2021-10-04 00:00:00
Tasks: Federated Learning

Linear contextual bandit is a popular online learning problem. It has been mostly studied in centralized learning settings. With the surging demand of large-scale decentralized model learning, e.g., federated learning, how to retain regret minimization while reducing communication cost becomes an open challenge. In this paper, we study linear contextual bandit in a federated learning setting. We propose a general framework with asynchronous model update and communication for a collection of homogeneous clients and heterogeneous clients, respectively. Rigorous theoretical analysis is provided about the regret and communication cost under this distributed learning framework; and extensive empirical evaluations demonstrate the effectiveness of our solution.
Causality and Generalizability: Identifiability and Learning Methods
Authors: Martin Emil Jakobsen
Date: 2021-10-04 00:00:00
Tasks: Econometrics, Prediction, Time Series Analysis, valid

This PhD thesis contains several contributions to the field of statistical causal modeling. Statistical causal models are statistical models embedded with causal assumptions that allow for the inference and reasoning about the behavior of stochastic systems affected by external manipulation (interventions). This thesis contributes to the research areas concerning the estimation of causal effects, causal structure learning, and distributionally robust (out-of-distribution generalizing) prediction methods. We present novel and consistent linear and non-linear causal effects estimators in instrumental variable settings that employ data-dependent mean squared prediction error regularization. Our proposed estimators show, in certain settings, mean squared error improvements compared to both canonical and state-of-the-art estimators. We show that recent research on distributionally robust prediction methods has connections to well-studied estimators from econometrics. This connection leads us to prove that general K-class estimators possess distributional robustness properties. We, furthermore, propose a general framework for distributional robustness with respect to intervention-induced distributions. In this framework, we derive sufficient conditions for the identifiability of distributionally robust prediction methods and present impossibility results that show the necessity of several of these conditions. We present a new structure learning method applicable in additive noise models with directed trees as causal graphs. We prove consistency in a vanishing identifiability setup and provide a method for testing substructure hypotheses with asymptotic family-wise error control that remains valid post-selection. Finally, we present heuristic ideas for learning summary graphs of nonlinear time-series models.
Unraveling the graph structure of tabular data through Bayesian and spectral analysis
Authors: Bruno Messias F. de Resende, Eric K. Tokuda, Luciano da Fontoura Costa
Date: 2021-10-04 00:00:00
Tasks: Stochastic Block Model, Survey

In the big-data age, tabular data are being generated and analyzed everywhere. As a consequence, finding and understanding the relationships between the features in these data are of great relevance. Here, to encompass these relationships, we propose a graph-based method that allows individual, group and multi-scale analyses. The method starts by mapping the tabular data into a weighted directed graph using the Shapley additive explanations technique. With this graph of relationships, we show that the inference of the hierarchical modular structure obtained by the Nested Stochastic Block Model (nSBM) as well as the study of the spectral space of the magnetic Laplacian can help us identify the classes of features and unravel non-trivial relationships. As a case study, we analyzed a socioeconomic survey conducted with students in Brazil: the PeNSE survey. The spectral embedding of the columns suggested that questions related to physical activities form a separate group. The application of the nSBM approach not only corroborated with that but allowed complementary findings about the modular structure: some groups of questions showed a high adherence with the divisions qualitatively defined by the designers of the survey. As opposed to the structure obtained by the spectrum, questions from the class Safety were partly grouped by our method in the class Drugs. Surprisingly, by inspecting these questions, we observed that they were related to both these topics, suggesting an alternative interpretation of these questions. These results show how our method can provide guidance for tabular data analysis as well as the design of future surveys.
Automating Privilege Escalation with Deep Reinforcement Learning
Authors: Kalle Kujanpää, Willie Victor, Alexander Ilin
Date: 2021-10-04 00:00:00
Tasks: BIG-bench Machine Learning, Deep Reinforcement Learning, Intrusion Detection, Red Teaming, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

AI-based defensive solutions are necessary to defend networks and information assets against intelligent automated attacks. Gathering enough realistic data for training machine learning-based defenses is a significant practical challenge. An intelligent red teaming agent capable of performing realistic attacks can alleviate this problem. However, there is little scientific evidence demonstrating the feasibility of fully automated attacks using machine learning. In this work, we exemplify the potential threat of malicious actors using deep reinforcement learning to train automated agents. We present an agent that uses a state-of-the-art reinforcement learning algorithm to perform local privilege escalation. Our results show that the autonomous agent can escalate privileges in a Windows 7 environment using a wide variety of different techniques depending on the environment configuration it encounters. Hence, our agent is usable for generating realistic attack sensor data for training and evaluating intrusion detection systems.
Pharmacoprint -- a combination of pharmacophore fingerprint and artificial intelligence as a tool for computer-aided drug design
Authors: Dawid Warszycki, Łukasz Struski, Marek Śmieja, Rafał Kafel, Rafał Kurczab
Date: 2021-10-04 00:00:00
Tasks: Dimensionality Reduction, Drug Design

Structural fingerprints and pharmacophore modeling are methodologies that have been used for at least two decades in various fields of cheminformatics: from similarity searching to machine learning (ML). Advances in silico techniques consequently led to combining both these methodologies into a new approach known as pharmacophore fingerprint. Herein, we propose a high-resolution, pharmacophore fingerprint called Pharmacoprint that encodes the presence, types, and relationships between pharmacophore features of a molecule. Pharmacoprint was evaluated in classification experiments by using ML algorithms (logistic regression, support vector machines, linear support vector machines, and neural networks) and outperformed other popular molecular fingerprints (i.e., Estate, MACCS, PubChem, Substructure, Klekotha-Roth, CDK, Extended, and GraphOnly) and ChemAxon Pharmacophoric Features fingerprint. Pharmacoprint consisted of 39973 bits; several methods were applied for dimensionality reduction, and the best algorithm not only reduced the length of bit string but also improved the efficiency of ML tests. Further optimization allowed us to define the best parameter settings for using Pharmacoprint in discrimination tests and for maximizing statistical parameters. Finally, Pharmacoprint generated for 3D structures with defined hydrogens as input data was applied to neural networks with a supervised autoencoder for selecting the most important bits and allowed to maximize Matthews Correlation Coefficient up to 0.962. The results show the potential of Pharmacoprint as a new, perspective tool for computer-aided drug design.
Analysis of the relation between smartphone usage changes during the COVID-19 pandemic and usage preferences on apps
Authors: Yuxuan Yang, Maiko Shigeno
Date: 2021-10-04 00:00:00

Since the World Health Organization announced the COVID-19 pandemic in March 2020, curbing the spread of the virus has become an international priority. It has greatly affected people's lifestyles. In this article, we observe and analyze the impact of the pandemic on people's lives using changes in smartphone application usage. First, through observing the daily usage change trends of all users during the pandemic, we can understand and analyze the effects of restrictive measures and policies during the pandemic on people's lives. In addition, it is also helpful for the government and health departments to take more appropriate restrictive measures in the case of future pandemics. Second, we defined the usage change features and found 9 different usage change patterns during the pandemic according to clusters of users and show the diversity of daily usage changes. It helps to understand and analyze the different impacts of the pandemic and restrictive measures on different types of people in more detail. Finally, according to prediction models, we discover the main related factors of each usage change type from user preferences and demographic information. It helps to predict changes in smartphone activity during future pandemics or when other restrictive measures are implemented, which may become a new indicator to judge and manage the risks of measures or events.