pwc-archive/papers-with-abstracts huggingface dataset:
Characterizing Graph Datasets for Node Classification: Homophily-Heterophily Dichotomy and Beyond
Authors: Oleg Platonov, Denis Kuznedelev, Artem Babenko, Liudmila Prokhorenkova
Date: 2022-09-13 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Informativeness, Node Classification

Homophily is a graph property describing the tendency of edges to connect similar nodes; the opposite is called heterophily. It is often believed that heterophilous graphs are challenging for standard message-passing graph neural networks (GNNs), and much effort has been put into developing efficient methods for this setting. However, there is no universally agreed-upon measure of homophily in the literature. In this work, we show that commonly used homophily measures have critical drawbacks preventing the comparison of homophily levels across different datasets. For this, we formalize desirable properties for a proper homophily measure and verify which measures satisfy which properties. In particular, we show that a measure that we call adjusted homophily satisfies more desirable properties than other popular homophily measures while being rarely used in graph machine learning literature. Then, we go beyond the homophily-heterophily dichotomy and propose a new characteristic that allows one to further distinguish different sorts of heterophily. The proposed label informativeness (LI) characterizes how much information a neighbor's label provides about a node's label. We prove that this measure satisfies important desirable properties. We also observe empirically that LI better agrees with GNN performance compared to homophily measures, which confirms that it is a useful characteristic of the graph structure.
Tractable hierarchies of convex relaxations for polynomial optimization on the nonnegative orthant
Authors: Ngoc Hoang Anh Mai, Victor Magron, Jean-Bernard Lasserre, Kim-Chuan Toh
Date: 2022-09-13 00:00:00

We consider polynomial optimization problems (POP) on a semialgebraic set contained in the nonnegative orthant (every POP on a compact set can be put in this format by a simple translation of the origin). Such a POP can be converted to an equivalent POP by squaring each variable. Using even symmetry and the concept of factor width, we propose a hierarchy of semidefinite relaxations based on the extension of P\'olya's Positivstellensatz by Dickinson-Povh. As its distinguishing and crucial feature, the maximal matrix size of each resulting semidefinite relaxation can be chosen arbitrarily and in addition, we prove that the sequence of values returned by the new hierarchy converges to the optimal value of the original POP at the rate $O(\varepsilon^{-c})$ if the semialgebraic set has nonempty interior. When applied to (i) robustness certification of multi-layer neural networks and (ii) computation of positive maximal singular values, our method based on P\'olya's Positivstellensatz provides better bounds and runs several hundred times faster than the standard Moment-SOS hierarchy.
Meta-Gradients in Non-Stationary Environments
Authors: Jelena Luketina, Sebastian Flennerhag, Yannick Schroecker, David Abel, Tom Zahavy, Satinder Singh
Date: 2022-09-13 00:00:00

Meta-gradient methods (Xu et al., 2018; Zahavy et al., 2020) offer a promising solution to the problem of hyperparameter selection and adaptation in non-stationary reinforcement learning problems. However, the properties of meta-gradients in such environments have not been systematically studied. In this work, we bring new clarity to meta-gradients in non-stationary environments. Concretely, we ask: (i) how much information should be given to the learned optimizers, so as to enable faster adaptation and generalization over a lifetime, (ii) what meta-optimizer functions are learned in this process, and (iii) whether meta-gradient methods provide a bigger advantage in highly non-stationary environments. To study the effect of information provided to the meta-optimizer, as in recent works (Flennerhag et al., 2021; Almeida et al., 2021), we replace the tuned meta-parameters of fixed update rules with learned meta-parameter functions of selected context features. The context features carry information about agent performance and changes in the environment and hence can inform learned meta-parameter schedules. We find that adding more contextual information is generally beneficial, leading to faster adaptation of meta-parameter values and increased performance over a lifetime. We support these results with a qualitative analysis of resulting meta-parameter schedules and learned functions of context features. Lastly, we find that without context, meta-gradients do not provide a consistent advantage over the baseline in highly non-stationary environments. Our findings suggest that contextualizing meta-gradients can play a pivotal role in extracting high performance from meta-gradients in non-stationary settings.
Deep Variational Free Energy Approach to Dense Hydrogen
Authors: Hao Xie, Zi-Hang Li, Han Wang, Linfeng Zhang, Lei Wang
Date: 2022-09-13 00:00:00

We developed a deep generative model-based variational free energy approach to the equations of state of dense hydrogen. We employ a normalizing flow network to model the proton Boltzmann distribution and a fermionic neural network to model the electron wave function at given proton positions. By jointly optimizing the two neural networks we reached a comparable variational free energy to the previous coupled electron-ion Monte Carlo calculation. The predicted equation of state of dense hydrogen under planetary conditions is denser than the findings of ab initio molecular dynamics calculation and empirical chemical model. Moreover, direct access to the entropy and free energy of dense hydrogen opens new opportunities in planetary modeling and high-pressure physics research.
SongDriver: Real-time Music Accompaniment Generation without Logical Latency nor Exposure Bias
Authors: ZiHao Wang, Qihao Liang, Kejun Zhang, Yuxing Wang, Chen Zhang, Pengfei Yu, Yongsheng Feng, Wenbo Liu, Yikai Wang, Yuntai Bao, Yiheng Yang
Date: 2022-09-13 00:00:00

Real-time music accompaniment generation has a wide range of applications in the music industry, such as music education and live performances. However, automatic real-time music accompaniment generation is still understudied and often faces a trade-off between logical latency and exposure bias. In this paper, we propose SongDriver, a real-time music accompaniment generation system without logical latency nor exposure bias. Specifically, SongDriver divides one accompaniment generation task into two phases: 1) The arrangement phase, where a Transformer model first arranges chords for input melodies in real-time, and caches the chords for the next phase instead of playing them out. 2) The prediction phase, where a CRF model generates playable multi-track accompaniments for the coming melodies based on previously cached chords. With this two-phase strategy, SongDriver directly generates the accompaniment for the upcoming melody, achieving zero logical latency. Furthermore, when predicting chords for a timestep, SongDriver refers to the cached chords from the first phase rather than its previous predictions, which avoids the exposure bias problem. Since the input length is often constrained under real-time conditions, another potential problem is the loss of long-term sequential information. To make up for this disadvantage, we extract four musical features from a long-term music piece before the current time step as global information. In the experiment, we train SongDriver on some open-source datasets and an original \`aiSong Dataset built from Chinese-style modern pop music scores. The results show that SongDriver outperforms existing SOTA (state-of-the-art) models on both objective and subjective metrics, meanwhile significantly reducing the physical latency.
Investigating the Predictive Reproducibility of Federated Graph Neural Networks using Medical Datasets
Authors: Mehmet Yigit Balik, Arwa Rekik, Islem Rekik
Date: 2022-09-13 00:00:00
Tasks: Federated Learning

Graph neural networks (GNNs) have achieved extraordinary enhancements in various areas including the fields medical imaging and network neuroscience where they displayed a high accuracy in diagnosing challenging neurological disorders such as autism. In the face of medical data scarcity and high-privacy, training such data-hungry models remains challenging. Federated learning brings an efficient solution to this issue by allowing to train models on multiple datasets, collected independently by different hospitals, in fully data-preserving manner. Although both state-of-the-art GNNs and federated learning techniques focus on boosting classification accuracy, they overlook a critical unsolved problem: investigating the reproducibility of the most discriminative biomarkers (i.e., features) selected by the GNN models within a federated learning paradigm. Quantifying the reproducibility of a predictive medical model against perturbations of training and testing data distributions presents one of the biggest hurdles to overcome in developing translational clinical applications. To the best of our knowledge, this presents the first work investigating the reproducibility of federated GNN models with application to classifying medical imaging and brain connectivity datasets. We evaluated our framework using various GNN models trained on medical imaging and connectomic datasets. More importantly, we showed that federated learning boosts both the accuracy and reproducibility of GNN models in such medical learning tasks. Our source code is available at https://github.com/basiralab/reproducibleFedGNN.
An Analysis of Collocation on GPUs for Deep Learning Training
Authors: Ties Robroek, Ehsan Yousefzadeh-Asl-Miandoab, Pınar Tözün
Date: 2022-09-13 00:00:00
Tasks: Deep Learning, GPU

Deep learning training is an expensive process that extensively uses GPUs, but not all model training saturates modern powerful GPUs. Multi-Instance GPU (MIG) is a new technology introduced by NVIDIA that can partition a GPU to better-fit workloads that do not require all the memory and compute resources of a full GPU. In this paper, we examine the performance of a MIG-enabled A100 GPU under deep learning workloads containing various sizes and combinations of models. We contrast the benefits of MIG to older workload collocation methods on GPUs: na\"ively submitting multiple processes on the same GPU and utilizing Multi-Process Service (MPS). Our results demonstrate that collocating multiple model training runs may yield significant benefits. In certain cases, it can lead up to four times training throughput despite increased epoch time. On the other hand, the aggregate memory footprint and compute needs of the models trained in parallel must fit the available memory and compute resources of the GPU. MIG can be beneficial thanks to its interference-free partitioning, especially when the sizes of the models align with the MIG partitioning options. MIG's rigid partitioning, however, may create sub-optimal GPU utilization for more dynamic mixed workloads. In general, we recommend MPS as the best performing and most flexible form of collocation for model training for a single user submitting training jobs.
Predicting Brain Multigraph Population From a Single Graph Template for Boosting One-Shot Classification
Authors: Furkan Pala, Islem Rekik
Date: 2022-09-13 00:00:00
Tasks: Data Augmentation, Graph Neural Network, One-Shot Learning

A central challenge in training one-shot learning models is the limited representativeness of the available shots of the data space. Particularly in the field of network neuroscience where the brain is represented as a graph, such models may lead to low performance when classifying brain states (e.g., typical vs. autistic). To cope with this, most of the existing works involve a data augmentation step to increase the size of the training set, its diversity and representativeness. Though effective, such augmentation methods are limited to generating samples with the same size as the input shots (e.g., generating brain connectivity matrices from a single shot matrix). To the best of our knowledge, the problem of generating brain multigraphs capturing multiple types of connectivity between pairs of nodes (i.e., anatomical regions) from a single brain graph remains unsolved. In this paper, we unprecedentedly propose a hybrid graph neural network (GNN) architecture, namely Multigraph Generator Network or briefly MultigraphGNet, comprising two subnetworks: (1) a many-to-one GNN which integrates an input population of brain multigraphs into a single template graph, namely a connectional brain temple (CBT), and (2) a reverse one-to-many U-Net network which takes the learned CBT in each training step and outputs the reconstructed input multigraph population. Both networks are trained in an end-to-end way using a cyclic loss. Experimental results demonstrate that our MultigraphGNet boosts the performance of an independent classifier when trained on the augmented brain multigraphs in comparison with training on a single CBT from each class. We hope that our framework can shed some light on the future research of multigraph augmentation from a single graph. Our MultigraphGNet source code is available at https://github.com/basiralab/MultigraphGNet.
A Distributed Acoustic Sensor System for Intelligent Transportation using Deep Learning
Authors: Chia-Yen Chiang, Mona Jaber, Peter Hayward
Date: 2022-09-13 00:00:00

Intelligent transport systems (ITS) are pivotal in the development of sustainable and green urban living. ITS is data-driven and enabled by the profusion of sensors ranging from pneumatic tubes to smart cameras. This work explores a novel data source based on optical fibre-based distributed acoustic sensors (DAS) for traffic analysis. Detecting the type of vehicle and estimating the occupancy of vehicles are prime concerns in ITS. The first is motivated by the need for tracking, controlling, and forecasting traffic flow. The second targets the regulation of high occupancy vehicle lanes in an attempt to reduce emissions and congestion. These tasks are often conducted by individuals inspecting vehicles or through the use of emerging computer vision technologies. The former is not scale-able nor efficient whereas the latter is intrusive to passengers' privacy. To this end, we propose a deep learning technique to analyse DAS signals to address this challenge through continuous sensing and without exposing personal information. We propose a deep learning method for processing DAS signals and achieve 92% vehicle classification accuracy and 92-97% in occupancy detection based on DAS data collected under controlled conditions.
Adversarial Inter-Group Link Injection Degrades the Fairness of Graph Neural Networks
Authors: Hussain Hussain, Meng Cao, Sandipan Sikdar, Denis Helic, Elisabeth Lex, Markus Strohmaier, Roman Kern
Date: 2022-09-13 00:00:00
Tasks: Fairness, Node Classification

We present evidence for the existence and effectiveness of adversarial attacks on graph neural networks (GNNs) that aim to degrade fairness. These attacks can disadvantage a particular subgroup of nodes in GNN-based node classification, where nodes of the underlying network have sensitive attributes, such as race or gender. We conduct qualitative and experimental analyses explaining how adversarial link injection impairs the fairness of GNN predictions. For example, an attacker can compromise the fairness of GNN-based node classification by injecting adversarial links between nodes belonging to opposite subgroups and opposite class labels. Our experiments on empirical datasets demonstrate that adversarial fairness attacks can significantly degrade the fairness of GNN predictions (attacks are effective) with a low perturbation rate (attacks are efficient) and without a significant drop in accuracy (attacks are deceptive). This work demonstrates the vulnerability of GNN models to adversarial fairness attacks. We hope our findings raise awareness about this issue in our community and lay a foundation for the future development of GNN models that are more robust to such attacks.
Federated Meta-Learning for Traffic Steering in O-RAN
Authors: Hakan Erdol, Xiaoyang Wang, Peizheng Li, Jonathan D. Thomas, Robert Piechocki, George Oikonomou, Rui Inacio, Abdelrahim Ahmad, Keith Briggs, Shipra Kapoor
Date: 2022-09-13 00:00:00
Tasks: Management, Meta-Learning

The vision of 5G lies in providing high data rates, low latency (for the aim of near-real-time applications), significantly increased base station capacity, and near-perfect quality of service (QoS) for users, compared to LTE networks. In order to provide such services, 5G systems will support various combinations of access technologies such as LTE, NR, NR-U and Wi-Fi. Each radio access technology (RAT) provides different types of access, and these should be allocated and managed optimally among the users. Besides resource management, 5G systems will also support a dual connectivity service. The orchestration of the network therefore becomes a more difficult problem for system managers with respect to legacy access technologies. In this paper, we propose an algorithm for RAT allocation based on federated meta-learning (FML), which enables RAN intelligent controllers (RICs) to adapt more quickly to dynamically changing environments. We have designed a simulation environment which contains LTE and 5G NR service technologies. In the simulation, our objective is to fulfil UE demands within the deadline of transmission to provide higher QoS values. We compared our proposed algorithm with a single RL agent, the Reptile algorithm and a rule-based heuristic method. Simulation results show that the proposed FML method achieves higher caching rates at first deployment round 21% and 12% respectively. Moreover, proposed approach adapts to new tasks and environments most quickly amongst the compared methods.
Calibrated Forecasts: The Minimax Proof
Authors: Sergiu Hart
Date: 2022-09-13 00:00:00

A formal write-up of the simple proof (1995) of the existence of calibrated forecasts by the minimax theorem, which moreover shows that $N^3$ periods suffice to guarantee a calibration error of at most $1/N$.
A new Reinforcement Learning framework to discover natural flavor molecules
Authors: Luana P. Queiroz, Carine M. Rebello, Erbet A. Costa, Vinícius V. Santana, Bruno C. L. Rodrigues, Alírio E. Rodrigues, Ana M. Ribeiro, Idelfonso B. R. Nogueira
Date: 2022-09-13 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

The flavor is the focal point in the flavor industry, which follows social tendencies and behaviors. The research and development of new flavoring agents and molecules are essential in this field. On the other hand, the development of natural flavors plays a critical role in modern society. In light of this, the present work proposes a novel framework based on Scientific Machine Learning to undertake an emerging problem in flavor engineering and industry. Therefore, this work brings an innovative methodology to design new natural flavor molecules. The molecules are evaluated regarding the synthetic accessibility, the number of atoms, and the likeness to a natural or pseudo-natural product.
Weight-based Channel-model Matrix Framework provides a reasonable solution for EEG-based cross-dataset emotion recognition
Authors: Huayu Chen, Huanhuan He, Jing Zhu, Shuting Sun, Jianxiu Li, Xuexiao Shao, Junxiang Li, Xiaowei Li, Bin Hu
Date: 2022-09-13 00:00:00
Tasks: EEG, Electroencephalogram (EEG), Emotion Recognition

Cross-dataset emotion recognition as an extremely challenging task in the field of EEG-based affective computing is influenced by many factors, which makes the universal models yield unsatisfactory results. Facing the situation that lacks EEG information decoding research, we first analyzed the impact of different EEG information(individual, session, emotion and trial) for emotion recognition by sample space visualization, sample aggregation phenomena quantification, and energy pattern analysis on five public datasets. Based on these phenomena and patterns, we provided the processing methods and interpretable work of various EEG differences. Through the analysis of emotional feature distribution patterns, the Individual Emotional Feature Distribution Difference(IEFDD) was found, which was also considered as the main factor of the stability for emotion recognition. After analyzing the limitations of traditional modeling approach suffering from IEFDD, the Weight-based Channel-model Matrix Framework(WCMF) was proposed. To reasonably characterize emotional feature distribution patterns, four weight extraction methods were designed, and the optimal was the correction T-test(CT) weight extraction method. Finally, the performance of WCMF was validated on cross-dataset tasks in two kinds of experiments that simulated different practical scenarios, and the results showed that WCMF had more stable and better emotion recognition ability.
Sparse deep neural networks for modeling aluminum electrolysis dynamics
Authors: Erlend Torje Berg Lundby, Adil Rasheed, Ivar Johan Halvorsen, Jan Tommy Gravdahl
Date: 2022-09-13 00:00:00

Deep neural networks have become very popular in modeling complex nonlinear processes due to their extraordinary ability to fit arbitrary nonlinear functions from data with minimal expert intervention. However, they are almost always overparameterized and challenging to interpret due to their internal complexity. Furthermore, the optimization process to find the learned model parameters can be unstable due to the process getting stuck in local minima. In this work, we demonstrate the value of sparse regularization techniques to significantly reduce the model complexity. We demonstrate this for the case of an aluminium extraction process, which is highly nonlinear system with many interrelated subprocesses. We trained a densely connected deep neural network to model the process and then compared the effects of sparsity promoting l1 regularization on generalizability, interpretability, and training stability. We found that the regularization significantly reduces model complexity compared to a corresponding dense neural network. We argue that this makes the model more interpretable, and show that training an ensemble of sparse neural networks with different parameter initializations often converges to similar model structures with similar learned input features. Furthermore, the empirical study shows that the resulting sparse models generalize better from small training sets than their dense counterparts.
A Non-Parametric Bootstrap for Spectral Clustering
Authors: Liam Welsh, Phillip Shreeves
Date: 2022-09-13 00:00:00
Tasks: Clustering, Computational Efficiency

Finite mixture modelling is a popular method in the field of clustering and is beneficial largely due to its soft cluster membership probabilities. A common method for fitting finite mixture models is to employ spectral clustering, which can utilize the expectation-maximization (EM) algorithm. However, the EM algorithm falls victim to a number of issues, including convergence to sub-optimal solutions. We address this issue by developing two novel algorithms that incorporate the spectral decomposition of the data matrix and a non-parametric bootstrap sampling scheme. Simulations display the validity of our algorithms and demonstrate not only their flexibility, but also their computational efficiency and ability to avoid poor solutions when compared to other clustering algorithms for estimating finite mixture models. Our techniques are more consistent in their convergence when compared to other bootstrapped algorithms that fit finite mixture models.