pwc-archive/papers-with-abstracts huggingface dataset:
GraphWorld: Fake Graphs Bring Real Insights for GNNs
Authors: John Palowitch, Anton Tsitsulin, Brandon Mayer, Bryan Perozzi
Date: 2022-02-28 00:00:00
Tasks: Benchmarking

Despite advances in the field of Graph Neural Networks (GNNs), only a small number (~5) of datasets are currently used to evaluate new models. This continued reliance on a handful of datasets provides minimal insight into the performance differences between models, and is especially challenging for industrial practitioners who are likely to have datasets which look very different from those used as academic benchmarks. In the course of our work on GNN infrastructure and open-source software at Google, we have sought to develop improved benchmarks that are robust, tunable, scalable,and generalizable. In this work we introduce GraphWorld, a novel methodology and system for benchmarking GNN models on an arbitrarily-large population of synthetic graphs for any conceivable GNN task. GraphWorld allows a user to efficiently generate a world with millions of statistically diverse datasets. It is accessible, scalable, and easy to use. GraphWorld can be run on a single machine without specialized hardware, or it can be easily scaled up to run on arbitrary clusters or cloud frameworks. Using GraphWorld, a user has fine-grained control over graph generator parameters, and can benchmark arbitrary GNN models with built-in hyperparameter tuning. We present insights from GraphWorld experiments regarding the performance characteristics of tens of thousands of GNN models over millions of benchmark datasets. We further show that GraphWorld efficiently explores regions of benchmark dataset space uncovered by standard benchmarks, revealing comparisons between models that have not been historically obtainable. Using GraphWorld, we also are able to study in-detail the relationship between graph properties and task performance metrics, which is nearly impossible with the classic collection of real-world benchmarks.
Pedagogical Demonstrations and Pragmatic Learning in Artificial Tutor-Learner Interactions
Authors: Hugo Caselles-Dupré, Mohamed Chetouani, Olivier Sigaud
Date: 2022-02-28 00:00:00

When demonstrating a task, human tutors pedagogically modify their behavior by either "showing" the task rather than just "doing" it (exaggerating on relevant parts of the demonstration) or by giving demonstrations that best disambiguate the communicated goal. Analogously, human learners pragmatically infer the communicative intent of the tutor: they interpret what the tutor is trying to teach them and deduce relevant information for learning. Without such mechanisms, traditional Learning from Demonstration (LfD) algorithms will consider such demonstrations as sub-optimal. In this paper, we investigate the implementation of such mechanisms in a tutor-learner setup where both participants are artificial agents in an environment with multiple goals. Using pedagogy from the tutor and pragmatism from the learner, we show substantial improvements over standard learning from demonstrations.
Distributed randomized Kaczmarz for the adversarial workers
Authors: Xia Li, Longxiu Huang, Deanna Needell
Date: 2022-02-28 00:00:00

Developing large-scale distributed methods that are robust to the presence of adversarial or corrupted workers is an important part of making such methods practical for real-world problems. Here, we propose an iterative approach that is adversary-tolerant for least-squares problems. The algorithm utilizes simple statistics to guarantee convergence and is capable of learning the adversarial distributions. Additionally, the efficiency of the proposed method is shown in simulations in the presence of adversaries. The results demonstrate the great capability of such methods to tolerate different levels of adversary rates and to identify the erroneous workers with high accuracy.
Dynamic N:M Fine-grained Structured Sparse Attention Mechanism
Authors: Zhaodong Chen, Yuying Quan, Zheng Qu, Liu Liu, Yufei Ding, Yuan Xie
Date: 2022-02-28 00:00:00

Transformers are becoming the mainstream solutions for various tasks like NLP and Computer vision. Despite their success, the high complexity of the attention mechanism hinders them from being applied to latency-sensitive tasks. Tremendous efforts have been made to alleviate this problem, and many of them successfully reduce the asymptotic complexity to linear. Nevertheless, most of them fail to achieve practical speedup over the original full attention under moderate sequence lengths and are unfriendly to finetuning. In this paper, we present DFSS, an attention mechanism that dynamically prunes the full attention weight matrix to N:M fine-grained structured sparse pattern. We provide both theoretical and empirical evidence that demonstrates DFSS is a good approximation of the full attention mechanism. We propose a dedicated CUDA kernel design that completely eliminates the dynamic pruning overhead and achieves speedups under arbitrary sequence length. We evaluate the 1:2 and 2:4 sparsity under different configurations and achieve 1.27~ 1.89x speedups over the full-attention mechanism. It only takes a couple of finetuning epochs from the pretrained model to achieve on par accuracy with full attention mechanism on tasks from various domains under different sequence lengths from 384 to 4096.
Amortized Proximal Optimization
Authors: Juhan Bae, Paul Vicol, Jeff Z. HaoChen, Roger Grosse
Date: 2022-02-28 00:00:00
Tasks: image-classification, Image Classification, Image Reconstruction, Meta-Learning, Second-order methods

We propose a framework for online meta-optimization of parameters that govern optimization, called Amortized Proximal Optimization (APO). We first interpret various existing neural network optimizers as approximate stochastic proximal point methods which trade off the current-batch loss with proximity terms in both function space and weight space. The idea behind APO is to amortize the minimization of the proximal point objective by meta-learning the parameters of an update rule. We show how APO can be used to adapt a learning rate or a structured preconditioning matrix. Under appropriate assumptions, APO can recover existing optimizers such as natural gradient descent and KFAC. It enjoys low computational overhead and avoids expensive and numerically sensitive operations required by some second-order optimizers, such as matrix inverses. We empirically test APO for online adaptation of learning rates and structured preconditioning matrices for regression, image reconstruction, image classification, and natural language translation tasks. Empirically, the learning rate schedules found by APO generally outperform optimal fixed learning rates and are competitive with manually tuned decay schedules. Using APO to adapt a structured preconditioning matrix generally results in optimization performance competitive with second-order methods. Moreover, the absence of matrix inversion provides numerical stability, making it effective for low precision training.
Robust Multi-Agent Bandits Over Undirected Graphs
Authors: Daniel Vial, Sanjay Shakkottai, R. Srikant
Date: 2022-02-28 00:00:00

We consider a multi-agent multi-armed bandit setting in which $n$ honest agents collaborate over a network to minimize regret but $m$ malicious agents can disrupt learning arbitrarily. Assuming the network is the complete graph, existing algorithms incur $O( (m + K/n) \log (T) / \Delta )$ regret in this setting, where $K$ is the number of arms and $\Delta$ is the arm gap. For $m \ll K$, this improves over the single-agent baseline regret of $O(K\log(T)/\Delta)$. In this work, we show the situation is murkier beyond the case of a complete graph. In particular, we prove that if the state-of-the-art algorithm is used on the undirected line graph, honest agents can suffer (nearly) linear regret until time is doubly exponential in $K$ and $n$. In light of this negative result, we propose a new algorithm for which the $i$-th agent has regret $O( ( d_{\text{mal}}(i) + K/n) \log(T)/\Delta)$ on any connected and undirected graph, where $d_{\text{mal}}(i)$ is the number of $i$'s neighbors who are malicious. Thus, we generalize existing regret bounds beyond the complete graph (where $d_{\text{mal}}(i) = m$), and show the effect of malicious agents is entirely local (in the sense that only the $d_{\text{mal}}(i)$ malicious agents directly connected to $i$ affect its long-term regret).
Structure from Voltage
Authors: Robi Bhattacharjee, Alex Cloninger, Yoav Freund, Andreas Oslandsbotn
Date: 2022-02-28 00:00:00

Effective resistance (ER) is an attractive way to interrogate the structure of graphs. It is an alternative to computing the eigen-vectors of the graph Laplacian. Graph laplacians are used to find low dimensional structures in high dimensional data. Here too, ER based analysis has advantages over eign-vector based methods. Unfortunately Von Luxburg et al. (2010) show that, when vertices correspond to a sample from a distribution over a metric space, the limit of the ER between distant points converges to a trivial quantity that holds no information about the structure of the graph. We show that by using scaling resistances in a graph with $n$ vertices by $n^2$, one gets a meaningful limit of the voltages and of effective resistances. We also show that by adding a "ground" node to a metric graph one gets a simple and natural way to compute all of the distances from a chosen point to all other points.
Differentiable Matrix Elements with MadJax
Authors: Lukas Heinrich, Michael Kagan
Date: 2022-02-28 00:00:00

MadJax is a tool for generating and evaluating differentiable matrix elements of high energy scattering processes. As such, it is a step towards a differentiable programming paradigm in high energy physics that facilitates the incorporation of high energy physics domain knowledge, encoded in simulation software, into gradient based learning and optimization pipelines. MadJax comprises two components: (a) a plugin to the general purpose matrix element generator MadGraph that integrates matrix element and phase space sampling code with the JAX differentiable programming framework, and (b) a standalone wrapping API for accessing the matrix element code and its gradients, which are computed with automatic differentiation. The MadJax implementation and example applications of simulation based inference and normalizing flow based matrix element modeling, with capabilities enabled uniquely with differentiable matrix elements, are presented.
Can Mean Field Control (MFC) Approximate Cooperative Multi Agent Reinforcement Learning (MARL) with Non-Uniform Interaction?
Authors: Washim Uddin Mondal, Vaneet Aggarwal, Satish V. Ukkusuri
Date: 2022-02-28 00:00:00
Tasks: Multi-agent Reinforcement Learning

Mean-Field Control (MFC) is a powerful tool to solve Multi-Agent Reinforcement Learning (MARL) problems. Recent studies have shown that MFC can well-approximate MARL when the population size is large and the agents are exchangeable. Unfortunately, the presumption of exchangeability implies that all agents uniformly interact with one another which is not true in many practical scenarios. In this article, we relax the assumption of exchangeability and model the interaction between agents via an arbitrary doubly stochastic matrix. As a result, in our framework, the mean-field `seen' by different agents are different. We prove that, if the reward of each agent is an affine function of the mean-field seen by that agent, then one can approximate such a non-uniform MARL problem via its associated MFC problem within an error of $e=\mathcal{O}(\frac{1}{\sqrt{N}}[\sqrt{|\mathcal{X}|} + \sqrt{|\mathcal{U}|}])$ where $N$ is the population size and $|\mathcal{X}|$, $|\mathcal{U}|$ are the sizes of state and action spaces respectively. Finally, we develop a Natural Policy Gradient (NPG) algorithm that can provide a solution to the non-uniform MARL with an error $\mathcal{O}(\max\{e,\epsilon\})$ and a sample complexity of $\mathcal{O}(\epsilon^{-3})$ for any $\epsilon >0$.
The complexity of quantum support vector machines
Authors: Gian Gentinetta, Arne Thomsen, David Sutter, Stefan Woerner
Date: 2022-02-28 00:00:00

Quantum support vector machines employ quantum circuits to define the kernel function. It has been shown that this approach offers a provable exponential speedup compared to any known classical algorithm for certain data sets. The training of such models corresponds to solving a convex optimization problem either via its primal or dual formulation. Due to the probabilistic nature of quantum mechanics, the training algorithms are affected by statistical uncertainty, which has a major impact on their complexity. We show that the dual problem can be solved in $O(M^{4.67}/\varepsilon^2)$ quantum circuit evaluations, where $M$ denotes the size of the data set and $\varepsilon$ the solution accuracy compared to the ideal result from exact expectation values, which is only obtainable in theory. We prove under an empirically motivated assumption that the kernelized primal problem can alternatively be solved in $O(\min \{ M^2/\varepsilon^6, \, 1/\varepsilon^{10} \})$ evaluations by employing a generalization of a known classical algorithm called Pegasos. Accompanying empirical results demonstrate these analytical complexities to be essentially tight. In addition, we investigate a variational approximation to quantum support vector machines and show that their heuristic training achieves considerably better scaling in our experiments.
An Analytical Approach to Compute the Exact Preimage of Feed-Forward Neural Networks
Authors: Théo Nancy, Vassili Maillet, Johann Barbier
Date: 2022-02-28 00:00:00

Neural networks are a convenient way to automatically fit functions that are too complex to be described by hand. The downside of this approach is that it leads to build a black-box without understanding what happened inside. Finding the preimage would help to better understand how and why such neural networks had given such outputs. Because most of the neural networks are noninjective function, it is often impossible to compute it entirely only by a numerical way. The point of this study is to give a method to compute the exact preimage of any Feed-Forward Neural Network with linear or piecewise linear activation functions for hidden layers. In contrast to other methods, this one is not returning a unique solution for a unique output but returns analytically the entire and exact preimage.
On the sample complexity of stabilizing linear dynamical systems from data
Authors: Steffen W. R. Werner, Benjamin Peherstorfer
Date: 2022-02-28 00:00:00

Learning controllers from data for stabilizing dynamical systems typically follows a two step process of first identifying a model and then constructing a controller based on the identified model. However, learning models means identifying generic descriptions of the dynamics of systems, which can require large amounts of data and extracting information that are unnecessary for the specific task of stabilization. The contribution of this work is to show that if a linear dynamical system has dimension (McMillan degree) $n$, then there always exist $n$ states from which a stabilizing feedback controller can be constructed, independent of the dimension of the representation of the observed states and the number of inputs. By building on previous work, this finding implies that any linear dynamical system can be stabilized from fewer observed states than the minimal number of states required for learning a model of the dynamics. The theoretical findings are demonstrated with numerical experiments that show the stabilization of the flow behind a cylinder from less data than necessary for learning a model.
Uncertainty Estimation for Computed Tomography with a Linearised Deep Image Prior
Authors: Javier Antorán, Riccardo Barbano, Johannes Leuschner, José Miguel Hernández-Lobato, Bangti Jin
Date: 2022-02-28 00:00:00
Tasks: Image Reconstruction

Existing deep-learning based tomographic image reconstruction methods do not provide accurate estimates of reconstruction uncertainty, hindering their real-world deployment. This paper develops a method, termed as the linearised deep image prior (DIP), to estimate the uncertainty associated with reconstructions produced by the DIP with total variation regularisation (TV). Specifically, we endow the DIP with conjugate Gaussian-linear model type error-bars computed from a local linearisation of the neural network around its optimised parameters. To preserve conjugacy, we approximate the TV regulariser with a Gaussian surrogate. This approach provides pixel-wise uncertainty estimates and a marginal likelihood objective for hyperparameter optimisation. We demonstrate the method on synthetic data and real-measured high-resolution 2D $\mu$CT data, and show that it provides superior calibration of uncertainty estimates relative to previous probabilistic formulations of the DIP. Our code is available at https://github.com/educating-dip/bayes_dip.
Analysis of Digitalized ECG Signals Based on Artificial Intelligence and Spectral Analysis Methods Specialized in ARVC
Authors: Vasileios E. Papageorgiou, Thomas Zegkos, Georgios Efthimiadis, George Tsaklidis
Date: 2022-02-28 00:00:00

Arrhythmogenic right ventricular cardiomyopathy (ARVC) is an inherited heart muscle disease that appears between the second and forth decade of a patient's life, being responsible for 20% of sudden cardiac deaths before the age of 35. The effective and punctual diagnosis of this disease based on Electrocardiograms (ECGs) could have a vital role in reducing premature cardiovascular mortality. In our analysis, we firstly outline the digitalization process of paper - based ECG signals enhanced by a spatial filter aiming to eliminate dark regions in the dataset's images that do not correspond to ECG waveform, producing undesirable noise. Next, we propose the utilization of a low - complexity convolutional neural network for the detection of an arrhythmogenic heart disease, that has not been studied through the usage of deep learning methodology to date, achieving high classification accuracy, namely 99.98% training and 98.6% testing accuracy, on a disease the major identification criterion of which are infinitesimal millivolt variations in the ECG's morphology, in contrast with other arrhythmogenic abnormalities. Finally, by performing spectral analysis we investigate significant differentiations in the field of frequencies between normal ECGs and ECGs corresponding to patients suffering from ARVC. In 16 out of the 18 frequencies where we encounter statistically significant differentiations, the normal ECGs are characterized by greater normalized amplitudes compared to the abnormal ones. The overall research carried out in this article highlights the importance of integrating mathematical methods into the examination and effective diagnosis of various diseases, aiming to a substantial contribution to their successful treatment.
Inverse problem for parameters identification in a modified SIRD epidemic model using ensemble neural networks
Authors: Marian Petrica, Ionel Popescu
Date: 2022-02-28 00:00:00

In this paper, we propose a parameter identification methodology of the SIRD model, an extension of the classical SIR model, that considers the deceased as a separate category. In addition, our model includes one parameter which is the ratio between the real total number of infected and the number of infected that were documented in the official statistics. Due to many factors, like governmental decisions, several variants circulating, opening and closing of schools, the typical assumption that the parameters of the model stay constant for long periods of time is not realistic. Thus our objective is to create a method which works for short periods of time. In this scope, we approach the estimation relying on the previous 7 days of data and then use the identified parameters to make predictions. To perform the estimation of the parameters we propose the average of an ensemble of neural networks. Each neural network is constructed based on a database built by solving the SIRD for 7 days, with random parameters. In this way, the networks learn the parameters from the solution of the SIRD model. Lastly we use the ensemble to get estimates of the parameters from the real data of Covid19 in Romania and then we illustrate the predictions for different periods of time, from 10 up to 45 days, for the number of deaths. The main goal was to apply this approach on the analysis of COVID-19 evolution in Romania, but this was also exemplified on other countries like Hungary, Czech Republic and Poland with similar results. The results are backed by a theorem which guarantees that we can recover the parameters of the model from the reported data. We believe this methodology can be used as a general tool for dealing with short term predictions of infectious diseases or in other compartmental models.
Short-term passenger flow prediction for multi-traffic modes: A Transformer and residual network based multi-task learning method
Authors: Yongjie Yang, Jinlei Zhang, Lixing Yang, Xiaohong Li, Ziyou Gao
Date: 2022-02-27 00:00:00
Tasks: Multi-Task Learning

With the prevailing of mobility as a service (MaaS), it becomes increasingly important to manage multi-traffic modes simultaneously and cooperatively. As an important component of MaaS, short-term passenger flow prediction for multi-traffic modes has thus been brought into focus. It is a challenging problem because the spatiotemporal features of multi-traffic modes are critically complex. Moreover, the passenger flows of multi-traffic modes differentiate and fluctuate significantly. To solve these problems, this paper proposes a multitask learning-based model, called Res-Transformer, for short-term inflow prediction of multi-traffic modes (subway, taxi, and bus). Each traffic mode is treated as a single task in the model. The Res-Transformer consists of two parts: (1) several modified Transformer layers comprising the conv-Transformer layer and the multi-head attention mechanism, which helps to extract the spatial and temporal features of multi-traffic modes, (2) the structure of residual network is utilized to obtain the correlations of different traffic modes and prevent gradient vanishing, gradient explosion, and overfitting. The Res-Transformer model is evaluated on two large-scale real-world datasets from Beijing, China. One is the region of a traffic hub and the other is the region of a residential area. Experiments are conducted to compare the performance of the proposed model with several baseline models. Results prove the effectiveness and robustness of the proposed method. This paper can give critical insights into the short-term inflow prediction for multi-traffic modes.