pwc-archive/papers-with-abstracts huggingface dataset:
Are Defenses for Graph Neural Networks Robust?
Authors: Felix Mujkanovic, Simon Geisler, Stephan Günnemann, Aleksandar Bojchevski
Date: 2023-01-31 00:00:00

A cursory reading of the literature suggests that we have made a lot of progress in designing effective adversarial defenses for Graph Neural Networks (GNNs). Yet, the standard methodology has a serious flaw - virtually all of the defenses are evaluated against non-adaptive attacks leading to overly optimistic robustness estimates. We perform a thorough robustness analysis of 7 of the most popular defenses spanning the entire spectrum of strategies, i.e., aimed at improving the graph, the architecture, or the training. The results are sobering - most defenses show no or only marginal improvement compared to an undefended baseline. We advocate using custom adaptive attacks as a gold standard and we outline the lessons we learned from successfully designing such attacks. Moreover, our diverse collection of perturbed graphs forms a (black-box) unit test offering a first glance at a model's robustness.
Enhancing Hyper-To-Real Space Projections Through Euclidean Norm Meta-Heuristic Optimization
Authors: Luiz C. F. Ribeiro, Mateus Roder, Gustavo H. de Rosa, Leandro A. Passos, João P. Papa
Date: 2023-01-31 00:00:00
Tasks: Benchmarking

The continuous computational power growth in the last decades has made solving several optimization problems significant to humankind a tractable task; however, tackling some of them remains a challenge due to the overwhelming amount of candidate solutions to be evaluated, even by using sophisticated algorithms. In such a context, a set of nature-inspired stochastic methods, called meta-heuristic optimization, can provide robust approximate solutions to different kinds of problems with a small computational burden, such as derivative-free real function optimization. Nevertheless, these methods may converge to inadequate solutions if the function landscape is too harsh, e.g., enclosing too many local optima. Previous works addressed this issue by employing a hypercomplex representation of the search space, like quaternions, where the landscape becomes smoother and supposedly easier to optimize. Under this approach, meta-heuristic computations happen in the hypercomplex space, whereas variables are mapped back to the real domain before function evaluation. Despite this latter operation being performed by the Euclidean norm, we have found that after the optimization procedure has finished, it is usually possible to obtain even better solutions by employing the Minkowski $p$-norm instead and fine-tuning $p$ through an auxiliary sub-problem with neglecting additional cost and no hyperparameters. Such behavior was observed in eight well-established benchmarking functions, thus fostering a new research direction for hypercomplex meta-heuristic optimization.
Automated Sentiment and Hate Speech Analysis of Facebook Data by Employing Multilingual Transformer Models
Authors: Ritumbra Manuvie, Saikat Chatterjee
Date: 2023-01-31 00:00:00

In recent years, there has been a heightened consensus within academia and in the public discourse that Social Media Platforms (SMPs), amplify the spread of hateful and negative sentiment content. Researchers have identified how hateful content, political propaganda, and targeted messaging contributed to real-world harms including insurrections against democratically elected governments, genocide, and breakdown of social cohesion due to heightened negative discourse towards certain communities in parts of the world. To counter these issues, SMPs have created semi-automated systems that can help identify toxic speech. In this paper we analyse the statistical distribution of hateful and negative sentiment contents within a representative Facebook dataset (n= 604,703) scrapped through 648 public Facebook pages which identify themselves as proponents (and followers) of far-right Hindutva actors. These pages were identified manually using keyword searches on Facebook and on CrowdTangleand classified as far-right Hindutva pages based on page names, page descriptions, and discourses shared on these pages. We employ state-of-the-art, open-source XLM-T multilingual transformer-based language models to perform sentiment and hate speech analysis of the textual contents shared on these pages over a period of 5.5 years. The result shows the statistical distributions of the predicted sentiment and the hate speech labels; top actors, and top page categories. We further discuss the benchmark performances and limitations of these pre-trained language models.
Collision-aware In-hand 6D Object Pose Estimation using Multiple Vision-based Tactile Sensors
Authors: Gabriele M. Caddeo, Nicola A. Piga, Fabrizio Bottarel, Lorenzo Natale
Date: 2023-01-31 00:00:00
Tasks: 6D Pose Estimation using RGB, Object, Pose Estimation

In this paper, we address the problem of estimating the in-hand 6D pose of an object in contact with multiple vision-based tactile sensors. We reason on the possible spatial configurations of the sensors along the object surface. Specifically, we filter contact hypotheses using geometric reasoning and a Convolutional Neural Network (CNN), trained on simulated object-agnostic images, to promote those that better comply with the actual tactile images from the sensors. We use the selected sensors configurations to optimize over the space of 6D poses using a Gradient Descent-based approach. We finally rank the obtained poses by penalizing those that are in collision with the sensors. We carry out experiments in simulation using the DIGIT vision-based sensor with several objects, from the standard YCB model set. The results demonstrate that our approach estimates object poses that are compatible with actual object-sensor contacts in $87.5\%$ of cases while reaching an average positional error in the order of $2$ centimeters. Our analysis also includes qualitative results of experiments with a real DIGIT sensor.
Exploring QSAR Models for Activity-Cliff Prediction
Authors: Markus Dablander, Thierry Hanser, Renaud Lambiotte, Garrett M. Morris
Date: 2023-01-31 00:00:00
Tasks: molecular representation, Prediction, Sensitivity

Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that quantitative structure-activity relationship (QSAR) models struggle to predict ACs and that ACs thus form a major source of prediction error. However, a study to explore the AC-prediction power of modern QSAR methods and its relationship to general QSAR-prediction performance is lacking. We systematically construct nine distinct QSAR models by combining three molecular representation methods (extended-connectivity fingerprints, physicochemical-descriptor vectors and graph isomorphism networks) with three regression techniques (random forests, k-nearest neighbours and multilayer perceptrons); we then use each resulting model to classify pairs of similar compounds as ACs or non-ACs and to predict the activities of individual molecules in three case studies: dopamine receptor D2, factor Xa, and SARS-CoV-2 main protease. We observe low AC-sensitivity amongst the tested models when the activities of both compounds are unknown, but a substantial increase in AC-sensitivity when the actual activity of one of the compounds is given. Graph isomorphism features are found to be competitive with or superior to classical molecular representations for AC-classification and can thus be employed as baseline AC-prediction models or simple compound-optimisation tools. For general QSAR-prediction, however, extended-connectivity fingerprints still consistently deliver the best performance. Our results provide strong support for the hypothesis that indeed QSAR methods frequently fail to predict ACs. We propose twin-network training for deep learning models as a potential future pathway to increase AC-sensitivity and thus overall QSAR performance.
An Efficient Solution to s-Rectangular Robust Markov Decision Processes
Authors: Navdeep Kumar, Kfir Levy, Kaixin Wang, Shie Mannor
Date: 2023-01-31 00:00:00
Tasks: LEMMA

We present an efficient robust value iteration for \texttt{s}-rectangular robust Markov Decision Processes (MDPs) with a time complexity comparable to standard (non-robust) MDPs which is significantly faster than any existing method. We do so by deriving the optimal robust Bellman operator in concrete forms using our $L_p$ water filling lemma. We unveil the exact form of the optimal policies, which turn out to be novel threshold policies with the probability of playing an action proportional to its advantage.
Tricking AI chips into Simulating the Human Brain: A Detailed Performance Analysis
Authors: Lennart P. L. Landsmeer, Max C. W. Engelen, Rene Miedema, Christos Strydis
Date: 2023-01-31 00:00:00
Tasks: CPU, GPU

Challenging the Nvidia monopoly, dedicated AI-accelerator chips have begun emerging for tackling the computational challenge that the inference and, especially, the training of modern deep neural networks (DNNs) poses to modern computers. The field has been ridden with studies assessing the performance of these contestants across various DNN model types. However, AI-experts are aware of the limitations of current DNNs and have been working towards the fourth AI wave which will, arguably, rely on more biologically inspired models, predominantly on spiking neural networks (SNNs). At the same time, GPUs have been heavily used for simulating such models in the field of computational neuroscience, yet AI-chips have not been tested on such workloads. The current paper aims at filling this important gap by evaluating multiple, cutting-edge AI-chips (Graphcore IPU, GroqChip, Nvidia GPU with Tensor Cores and Google TPU) on simulating a highly biologically detailed model of a brain region, the inferior olive (IO). This IO application stress-tests the different AI-platforms for highlighting architectural tradeoffs by varying its compute density, memory requirements and floating-point numerical accuracy. Our performance analysis reveals that the simulation problem maps extremely well onto the GPU and TPU architectures, which for networks of 125,000 cells leads to a 28x respectively 1,208x speedup over CPU runtimes. At this speed, the TPU sets a new record for largest real-time IO simulation. The GroqChip outperforms both platforms for small networks but, due to implementing some floating-point operations at reduced accuracy, is found not yet usable for brain simulation.
Transport with Support: Data-Conditional Diffusion Bridges
Authors: Ella Tamir, Martin Trapp, Arno Solin
Date: 2023-01-31 00:00:00
Tasks: Time Series

The dynamic Schr\"odinger bridge problem provides an appealing setting for solving constrained time-series data generation tasks posed as optimal transport problems. It consists of learning non-linear diffusion processes using efficient iterative solvers. Recent works have demonstrated state-of-the-art results (eg. in modelling single-cell embryo RNA sequences or sampling from complex posteriors) but are limited to learning bridges with only initial and terminal constraints. Our work extends this paradigm by proposing the Iterative Smoothing Bridge (ISB). We integrate Bayesian filtering and optimal control into learning the diffusion process, enabling the generation of constrained stochastic processes governed by sparse observations at intermediate stages and terminal constraints. We assess the effectiveness of our method on synthetic and real-world data generation tasks and we show that the ISB generalises well to high-dimensional data, is computationally efficient, and provides accurate estimates of the marginals at intermediate and terminal times.
DiffSTG: Probabilistic Spatio-Temporal Graph Forecasting with Denoising Diffusion Models
Authors: Haomin Wen, Youfang Lin, Yutong Xia, Huaiyu Wan, Qingsong Wen, Roger Zimmermann, Yuxuan Liang
Date: 2023-01-31 00:00:00
Tasks: Decision Making, Denoising

Spatio-temporal graph neural networks (STGNN) have emerged as the dominant model for spatio-temporal graph (STG) forecasting. Despite their success, they fail to model intrinsic uncertainties within STG data, which cripples their practicality in downstream tasks for decision-making. To this end, this paper focuses on probabilistic STG forecasting, which is challenging due to the difficulty in modeling uncertainties and complex ST dependencies. In this study, we present the first attempt to generalize the popular denoising diffusion probabilistic models to STGs, leading to a novel non-autoregressive framework called DiffSTG, along with the first denoising network UGnet for STG in the framework. Our approach combines the spatio-temporal learning capabilities of STGNNs with the uncertainty measurements of diffusion models. Extensive experiments validate that DiffSTG reduces the Continuous Ranked Probability Score (CRPS) by 4%-14%, and Root Mean Squared Error (RMSE) by 2%-7% over existing methods on three real-world datasets.
Straight-Through meets Sparse Recovery: the Support Exploration Algorithm
Authors: Mimoun Mohamed, François Malgouyres, Valentin Emiya, Caroline Chaux
Date: 2023-01-31 00:00:00
Tasks: Model Selection

The {\it straight-through estimator} (STE) is commonly used to optimize quantized neural networks, yet its contexts of effective performance are still unclear despite empirical successes.To make a step forward in this comprehension, we apply STE to a well-understood problem: {\it sparse support recovery}. We introduce the {\it Support Exploration Algorithm} (SEA), a novel algorithm promoting sparsity, and we analyze its performance in support recovery (a.k.a. model selection) problems. SEA explores more supports than the state-of-the-art, leading to superior performance in experiments, especially when the columns of $A$ are strongly coherent.The theoretical analysis considers recovery guarantees when the linear measurements matrix $A$ satisfies the {\it Restricted Isometry Property} (RIP).The sufficient conditions of recovery are comparable but more stringent than those of the state-of-the-art in sparse support recovery. Their significance lies mainly in their applicability to an instance of the STE.
Skill Decision Transformer
Authors: Shyam Sudhakaran, Sebastian Risi
Date: 2023-01-31 00:00:00
Tasks: D4RL, Descriptive, Offline RL, Reinforcement Learning (RL)

Recent work has shown that Large Language Models (LLMs) can be incredibly effective for offline reinforcement learning (RL) by representing the traditional RL problem as a sequence modelling problem (Chen et al., 2021; Janner et al., 2021). However many of these methods only optimize for high returns, and may not extract much information from a diverse dataset of trajectories. Generalized Decision Transformers (GDTs) (Furuta et al., 2021) have shown that utilizing future trajectory information, in the form of information statistics, can help extract more information from offline trajectory data. Building upon this, we propose Skill Decision Transformer (Skill DT). Skill DT draws inspiration from hindsight relabelling (Andrychowicz et al., 2017) and skill discovery methods to discover a diverse set of primitive behaviors, or skills. We show that Skill DT can not only perform offline state-marginal matching (SMM), but can discovery descriptive behaviors that can be easily sampled. Furthermore, we show that through purely reward-free optimization, Skill DT is still competitive with supervised offline RL approaches on the D4RL benchmark. The code and videos can be found on our project page: https://github.com/shyamsn97/skill-dt
BALANCE: Bayesian Linear Attribution for Root Cause Localization
Authors: Chaoyu Chen, Hang Yu, Zhichao Lei, Jianguo Li, Shaokang Ren, Tingkai Zhang, Silin Hu, Jianchao Wang, Wenhui Shi
Date: 2023-01-31 00:00:00
Tasks: Explainable Artificial Intelligence (XAI), Fault Detection, Fault localization, feature selection

Root Cause Analysis (RCA) plays an indispensable role in distributed data system maintenance and operations, as it bridges the gap between fault detection and system recovery. Existing works mainly study multidimensional localization or graph-based root cause localization. This paper opens up the possibilities of exploiting the recently developed framework of explainable AI (XAI) for the purpose of RCA. In particular, we propose BALANCE (BAyesian Linear AttributioN for root CausE localization), which formulates the problem of RCA through the lens of attribution in XAI and seeks to explain the anomalies in the target KPIs by the behavior of the candidate root causes. BALANCE consists of three innovative components. First, we propose a Bayesian multicollinear feature selection (BMFS) model to predict the target KPIs given the candidate root causes in a forward manner while promoting sparsity and concurrently paying attention to the correlation between the candidate root causes. Second, we introduce attribution analysis to compute the attribution score for each candidate in a backward manner. Third, we merge the estimated root causes related to each KPI if there are multiple KPIs. We extensively evaluate the proposed BALANCE method on one synthesis dataset as well as three real-world RCA tasks, that is, bad SQL localization, container fault localization, and fault type diagnosis for Exathlon. Results show that BALANCE outperforms the state-of-the-art (SOTA) methods in terms of accuracy with the least amount of running time, and achieves at least $6\%$ notably higher accuracy than SOTA methods for real tasks. BALANCE has been deployed to production to tackle real-world RCA problems, and the online results further advocate its usage for real-time diagnosis in distributed data systems.
Learning Against Distributional Uncertainty: On the Trade-off Between Robustness and Specificity
Authors: Shixiong Wang, Haowei Wang, Xinke Li, Jean Honorio
Date: 2023-01-31 00:00:00
Tasks: Generalization Bounds, Specificity

Trustworthy machine learning aims at combating distributional uncertainties in training data distributions compared to population distributions. Typical treatment frameworks include the Bayesian approach, (min-max) distributionally robust optimization (DRO), and regularization. However, three issues have to be raised: 1) the prior distribution in the Bayesian method and the regularizer in the regularization method are difficult to specify; 2) the DRO method tends to be overly conservative; 3) all the three methods are biased estimators of the true optimal cost. This paper studies a new framework that unifies the three approaches and addresses the three challenges above. The asymptotic properties (e.g., consistencies and asymptotic normalities), non-asymptotic properties (e.g., generalization bounds and unbiasedness), and solution methods of the proposed model are studied. The new model reveals the trade-off between the robustness to the unseen data and the specificity to the training data. Experiments on various real-world tasks validate the superiority of the proposed learning framework.
Holistic Graph-based Motion Prediction
Authors: Daniel Grimm, Philip Schörner, Moritz Dreßler, J. -Marius Zöllner
Date: 2023-01-31 00:00:00
Tasks: motion prediction, Prediction

Motion prediction for automated vehicles in complex environments is a difficult task that is to be mastered when automated vehicles are to be used in arbitrary situations. Many factors influence the future motion of traffic participants starting with traffic rules and reaching from the interaction between each other to personal habits of human drivers. Therefore we present a novel approach for a graph-based prediction based on a heterogeneous holistic graph representation that combines temporal information, properties and relations between traffic participants as well as relations with static elements like the road network. The information are encoded through different types of nodes and edges that both are enriched with arbitrary features. We evaluated the approach on the INTERACTION and the Argoverse dataset and conducted an informative ablation study to demonstrate the benefit of different types of information for the motion prediction quality.
Low Complexity Adaptive Machine Learning Approaches for End-to-End Latency Prediction
Authors: Pierre Larrenie, Jean-François Bercher, Olivier Venard, Iyad Lahsen-Cherif
Date: 2023-01-31 00:00:00

Software Defined Networks have opened the door to statistical and AI-based techniques to improve efficiency of networking. Especially to ensure a certain Quality of Service (QoS) for specific applications by routing packets with awareness on content nature (VoIP, video, files, etc.) and its needs (latency, bandwidth, etc.) to use efficiently resources of a network. Monitoring and predicting various Key Performance Indicators (KPIs) at any level may handle such problems while preserving network bandwidth. The question addressed in this work is the design of efficient, low-cost adaptive algorithms for KPI estimation, monitoring and prediction. We focus on end-to-end latency prediction, for which we illustrate our approaches and results on data obtained from a public generator provided after the recent international challenge on GNN [12]. In this paper, we improve our previously proposed low-cost estimators [6] by adding the adaptive dimension, and show that the performances are minimally modified while gaining the ability to track varying networks.
Population-wise Labeling of Sulcal Graphs using Multi-graph Matching
Authors: Rohit Yadav, François-Xavier Dupé, S. Takerkart, Guillaume Auzias
Date: 2023-01-31 00:00:00
Tasks: Benchmarking, Graph Matching

Population-wise matching of the cortical fold is necessary to identify biomarkers of neurological or psychiatric disorders. The difficulty comes from the massive interindividual variations in the morphology and spatial organization of the folds. This task is challenging at both methodological and conceptual levels. In the widely used registration-based techniques, these variations are considered as noise and the matching of folds is only implicit. Alternative approaches are based on the extraction and explicit identification of the cortical folds. In particular, representing cortical folding patterns as graphs of sulcal basins-termed sulcal graphs-enables to formalize the task as a graph-matching problem. In this paper, we propose to address the problem of sulcal graph matching directly at the population level using multi-graph matching techniques. First, we motivate the relevance of multi-graph matching framework in this context. We then introduce a procedure to generate populations of artificial sulcal graphs, which allows us benchmarking several state of the art multi-graph matching methods. Our results on both artificial and real data demonstrate the effectiveness of multi-graph matching techniques to obtain a population-wise consistent labeling of cortical folds at the sulcal basins level.