pwc-archive/papers-with-abstracts huggingface dataset:
Sparse Training of Discrete Diffusion Models for Graph Generation
Authors: Yiming Qin, Clement Vignac, Pascal Frossard
Date: 2023-11-03 00:00:00
Tasks: Denoising, Graph Generation

Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing scalable models often impose restrictive assumptions such as a cluster structure within graphs, thus limiting their applicability. To address this, we introduce SparseDiff, a novel diffusion model based on the observation that almost all large graphs are sparse. By selecting a subset of edges, SparseDiff effectively leverages sparse graph representations both during the noising process and within the denoising network, which ensures that space complexity scales linearly with the number of chosen edges. During inference, SparseDiff progressively fills the adjacency matrix with the selected subsets of edges, mirroring the training process. Our model demonstrates state-of-the-art performance across multiple metrics on both small and large datasets, confirming its effectiveness and robustness across varying graph sizes. It also ensures faster convergence, particularly on larger graphs, achieving a fourfold speedup on the large Ego dataset compared to dense models, thereby paving the way for broader applications.
Safe Online Dynamics Learning with Initially Unknown Models and Infeasible Safety Certificates
Authors: Alexandre Capone, Ryan Cosner, Aaron Ames, Sandra Hirche
Date: 2023-11-03 00:00:00
Tasks: Bayesian Optimization

Safety-critical control tasks with high levels of uncertainty are becoming increasingly common. Typically, techniques that guarantee safety during learning and control utilize constraint-based safety certificates, which can be leveraged to compute safe control inputs. However, excessive model uncertainty can render robust safety certification methods or infeasible, meaning no control input satisfies the constraints imposed by the safety certificate. This paper considers a learning-based setting with a robust safety certificate based on a control barrier function (CBF) second-order cone program. If the control barrier function certificate is feasible, our approach leverages it to guarantee safety. Otherwise, our method explores the system dynamics to collect data and recover the feasibility of the control barrier function constraint. To this end, we employ a method inspired by well-established tools from Bayesian optimization. We show that if the sampling frequency is high enough, we recover the feasibility of the robust CBF certificate, guaranteeing safety. Our approach requires no prior model and corresponds, to the best of our knowledge, to the first algorithm that guarantees safety in settings with occasionally infeasible safety certificates without requiring a backup non-learning-based controller.
Client Orchestration and Cost-Efficient Joint Optimization for NOMA-Enabled Hierarchical Federated Learning
Authors: Bibo Wu, Fang Fang, Xianbin Wang, Donghong Cai, Shu Fu, Zhiguo Ding
Date: 2023-11-03 00:00:00
Tasks: Federated Learning, Problem Decomposition, Scheduling

Hierarchical federated learning (HFL) shows great advantages over conventional two-layer federated learning (FL) in reducing network overhead and interaction latency while still retaining the data privacy of distributed FL clients. However, the communication and energy overhead still pose a bottleneck for HFL performance, especially as the number of clients raises dramatically. To tackle this issue, we propose a non-orthogonal multiple access (NOMA) enabled HFL system under semi-synchronous cloud model aggregation in this paper, aiming to minimize the total cost of time and energy at each HFL global round. Specifically, we first propose a novel fuzzy logic based client orchestration policy considering client heterogenerity in multiple aspects, including channel quality, data quantity and model staleness. Subsequently, given the fuzzy based client-edge association, a joint edge server scheduling and resource allocation problem is formulated. Utilizing problem decomposition, we firstly derive the closed-form solution for the edge server scheduling subproblem via the penalty dual decomposition (PDD) method. Next, a deep deterministic policy gradient (DDPG) based algorithm is proposed to tackle the resource allocation subproblem considering time-varying environments. Finally, extensive simulations demonstrate that the proposed scheme outperforms the considered benchmarks regarding HFL performance improvement and total cost reduction.
Hierarchical Reinforcement Learning for Power Network Topology Control
Authors: Blazej Manczak, Jan Viebahn, Herke van Hoof
Date: 2023-11-03 00:00:00
Tasks: All, Hierarchical Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Learning in high-dimensional action spaces is a key challenge in applying reinforcement learning (RL) to real-world systems. In this paper, we study the possibility of controlling power networks using RL methods. Power networks are critical infrastructures that are complex to control. In particular, the combinatorial nature of the action space poses a challenge to both conventional optimizers and learned controllers. Hierarchical reinforcement learning (HRL) represents one approach to address this challenge. More precisely, a HRL framework for power network topology control is proposed. The HRL framework consists of three levels of action abstraction. At the highest level, there is the overall long-term task of power network operation, namely, keeping the power grid state within security constraints at all times, which is decomposed into two temporally extended actions: 'do nothing' versus 'propose a topology change'. At the intermediate level, the action space consists of all controllable substations. Finally, at the lowest level, the action space consists of all configurations of the chosen substation. By employing this HRL framework, several hierarchical power network agents are trained for the IEEE 14-bus network. Whereas at the highest level a purely rule-based policy is still chosen for all agents in this study, at the intermediate level the policy is trained using different state-of-the-art RL algorithms. At the lowest level, either an RL algorithm or a greedy algorithm is used. The performance of the different 3-level agents is compared with standard baseline (RL or greedy) approaches. A key finding is that the 3-level agent that employs RL both at the intermediate and the lowest level outperforms all other agents on the most difficult task. Our code is publicly available.
A Systematic Review of Deep Graph Neural Networks: Challenges, Classification, Architectures, Applications & Potential Utility in Bioinformatics
Authors: Adil Mudasir Malla, Asif Ali Banka
Date: 2023-11-03 00:00:00
Tasks: Graph Neural Network, Natural Language Understanding

In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean space. However, a considerable amount of application data is structured in non-Euclidean space and is expressed as graphs, e.g. dealing with complicated interactions & object interdependencies. Modelling physical systems, learning molecular signatures, identifying protein interactions and predicting diseases involve utilising a model that can adapt from graph data. Graph neural networks (GNNs), specified as artificial-neural models, employ message transmission between graph nodes to represent graph dependencies and are primarily used in the non-Euclidean domain. Variants of GNN like Graph Recurrent Networks (GRN), Graph Auto Encoder (GAE), Graph Convolution Networks (GCN), Graph Adversarial Methods & Graph Reinforcement learning have exhibited breakthrough productivity on a wide range of tasks, especially in the field of bioinformatics, in recent years as a result of the rapid collection of biological network data. Apart from presenting all existing GNN models, mathematical analysis and comparison of the variants of all types of GNN have been highlighted in this survey. Graph neural networks are investigated for their potential real-world applications in various fields, focusing on Bioinformatics. Furthermore, resources for evaluating graph neural network models and accessing open-source code & benchmark data sets are included. Ultimately, we provide some (seven) proposals for future research in this rapidly evolving domain. GNNs have the potential to be an excellent tool for solving a wide range of biological challenges in bioinformatics research, as they are best represented as connected complex graphs.
Using General Value Functions to Learn Domain-Backed Inventory Management Policies
Authors: Durgesh Kalwar, Omkar Shelke, Harshad Khadilkar
Date: 2023-11-03 00:00:00
Tasks: Decision Making, Management, Reinforcement Learning (RL), Sequential Decision Making

We consider the inventory management problem, where the goal is to balance conflicting objectives such as availability and wastage of a large range of products in a store. We propose a reinforcement learning (RL) approach that utilises General Value Functions (GVFs) to derive domain-backed inventory replenishment policies. The inventory replenishment decisions are modelled as a sequential decision making problem, which is challenging due to uncertain demand and the existence of aggregate (cross-product) constraints. In existing literature, GVFs have primarily been used for auxiliary task learning. We use this capability to train GVFs on domain-critical characteristics such as prediction of stock-out probability and wastage quantity. Using this domain expertise for more effective exploration, we train an RL agent to compute the inventory replenishment quantities for a large range of products (up to 6000 in the reported experiments), which share aggregate constraints such as the total weight/volume per delivery. Additionally, we show that the GVF predictions can be used to provide additional domain-backed insights into the decisions proposed by the RL agent. Finally, since the environment dynamics are fully transferred, the trained GVFs can be used for faster adaptation to vastly different business objectives (for example, due to the start of a promotional period or due to deployment in a new customer environment).
Sliced Denoising: A Physics-Informed Molecular Pre-Training Method
Authors: Yuyan Ni, Shikun Feng, Wei-Ying Ma, Zhi-Ming Ma, Yanyan Lan
Date: 2023-11-03 00:00:00
Tasks: Denoising, Drug Discovery, Molecular Property Prediction, Property Prediction

While molecular pre-training has shown great potential in enhancing drug discovery, the lack of a solid physical interpretation in current methods raises concerns about whether the learned representation truly captures the underlying explanatory factors in observed data, ultimately resulting in limited generalization and robustness. Although denoising methods offer a physical interpretation, their accuracy is often compromised by ad-hoc noise design, leading to inaccurate learned force fields. To address this limitation, this paper proposes a new method for molecular pre-training, called sliced denoising (SliDe), which is based on the classical mechanical intramolecular potential theory. SliDe utilizes a novel noise strategy that perturbs bond lengths, angles, and torsion angles to achieve better sampling over conformations. Additionally, it introduces a random slicing approach that circumvents the computationally expensive calculation of the Jacobian matrix, which is otherwise essential for estimating the force field. By aligning with physical principles, SliDe shows a 42\% improvement in the accuracy of estimated force fields compared to current state-of-the-art denoising methods, and thus outperforms traditional baselines on various molecular property prediction tasks.
RigLSTM: Recurrent Independent Grid LSTM for Generalizable Sequence Learning
Authors: Ziyu Wang, Wenhao Jiang, Zixuan Zhang, Wei Tang, Junchi Yan
Date: 2023-11-03 00:00:00
Tasks: feature selection

Sequential processes in real-world often carry a combination of simple subsystems that interact with each other in certain forms. Learning such a modular structure can often improve the robustness against environmental changes. In this paper, we propose recurrent independent Grid LSTM (RigLSTM), composed of a group of independent LSTM cells that cooperate with each other, for exploiting the underlying modular structure of the target task. Our model adopts cell selection, input feature selection, hidden state selection, and soft state updating to achieve a better generalization ability on the basis of the recent Grid LSTM for the tasks where some factors differ between training and evaluation. Specifically, at each time step, only a fraction of cells are activated, and the activated cells select relevant inputs and cells to communicate with. At the end of one time step, the hidden states of the activated cells are updated by considering the relevance between the inputs and the hidden states from the last and current time steps. Extensive experiments on diversified sequential modeling tasks are conducted to show the superior generalization ability when there exist changes in the testing environment. Source code is available at \url{https://github.com/ziyuwwang/rig-lstm}.
Safe Sequential Optimization for Switching Environments
Authors: Durgesh Kalwar, Vineeth B. S
Date: 2023-11-03 00:00:00
Tasks: Bayesian Optimization, Change Point Detection, Decision Making, Sequential Decision Making

We consider the problem of designing a sequential decision making agent to maximize an unknown time-varying function which switches with time. At each step, the agent receives an observation of the function's value at a point decided by the agent. The observation could be corrupted by noise. The agent is also constrained to take safe decisions with high probability, i.e., the chosen points should have a function value greater than a threshold. For this switching environment, we propose a policy called Adaptive-SafeOpt and evaluate its performance via simulations. The policy incorporates Bayesian optimization and change point detection for the safe sequential optimization problem. We observe that a major challenge in adapting to the switching change is to identify safe decisions when the change point is detected and prevent attraction to local optima.
Cooperative Network Learning for Large-Scale and Decentralized Graphs
Authors: Qiang Wu, Yiming Huang, Yujie Zeng, Yijie Teng, Fang Zhou, Linyuan Lü
Date: 2023-11-03 00:00:00
Tasks: Graph Learning, Link Prediction, Node Classification, Privacy Preserving

Graph research, the systematic study of interconnected data points represented as graphs, plays a vital role in capturing intricate relationships within networked systems. However, in the real world, as graphs scale up, concerns about data security among different data-owning agencies arise, hindering information sharing and, ultimately, the utilization of graph data. Therefore, establishing a mutual trust mechanism among graph agencies is crucial for unlocking the full potential of graphs. Here, we introduce a Cooperative Network Learning (CNL) framework to ensure secure graph computing for various graph tasks. Essentially, this CNL framework unifies the local and global perspectives of GNN computing with distributed data for an agency by virtually connecting all participating agencies as a global graph without a fixed central coordinator. Inter-agency computing is protected by various technologies inherent in our framework, including homomorphic encryption and secure transmission. Moreover, each agency has a fair right to design or employ various graph learning models from its local or global perspective. Thus, CNL can collaboratively train GNN models based on decentralized graphs inferred from local and global graphs. Experiments on contagion dynamics prediction and traditional graph tasks (i.e., node classification and link prediction) demonstrate that our CNL architecture outperforms state-of-the-art GNNs developed at individual sites, revealing that CNL can provide a reliable, fair, secure, privacy-preserving, and global perspective to build effective and personalized models for network applications. We hope this framework will address privacy concerns in graph-related research and integrate decentralized graph data structures to benefit the network research community in cooperation and innovation.
Towards objective and systematic evaluation of bias in artificial intelligence for medical imaging
Authors: Emma A. M. Stanley, Raissa Souza, Anthony Winder, Vedant Gulve, Kimberly Amador, Matthias Wilms, Nils D. Forkert
Date: 2023-11-03 00:00:00
Tasks: counterfactual

Artificial intelligence (AI) models trained using medical images for clinical tasks often exhibit bias in the form of disparities in performance between subgroups. Since not all sources of biases in real-world medical imaging data are easily identifiable, it is challenging to comprehensively assess how those biases are encoded in models, and how capable bias mitigation methods are at ameliorating performance disparities. In this article, we introduce a novel analysis framework for systematically and objectively investigating the impact of biases in medical images on AI models. We developed and tested this framework for conducting controlled in silico trials to assess bias in medical imaging AI using a tool for generating synthetic magnetic resonance images with known disease effects and sources of bias. The feasibility is showcased by using three counterfactual bias scenarios to measure the impact of simulated bias effects on a convolutional neural network (CNN) classifier and the efficacy of three bias mitigation strategies. The analysis revealed that the simulated biases resulted in expected subgroup performance disparities when the CNN was trained on the synthetic datasets. Moreover, reweighing was identified as the most successful bias mitigation strategy for this setup, and we demonstrated how explainable AI methods can aid in investigating the manifestation of bias in the model using this framework. Developing fair AI models is a considerable challenge given that many and often unknown sources of biases can be present in medical imaging datasets. In this work, we present a novel methodology to objectively study the impact of biases and mitigation strategies on deep learning pipelines, which can support the development of clinical AI that is robust and responsible.
A Virtual Reality Training System for Automotive Engines Assembly and Disassembly
Authors: Gongjin Lan, and Qiangqiang Lai, Bing Bai, Zirui Zhao, Qi Hao
Date: 2023-11-02 00:00:00

Automotive engine assembly and disassembly are common and crucial programs in the automotive industry. Traditional education trains students to learn automotive engine assembly and disassembly in lecture courses and then to operate with physical engines, which are generally low effectiveness and high cost. In this work, we developed a multi-layer structured Virtual Reality (VR) system to provide students with training in automotive engine (Buick Verano) assembly and disassembly. We designed the VR training system with The VR training system is designed to have several major features, including replaceable engine parts and reusable tools, friendly user interfaces and guidance, and bottom-up designed multi-layer architecture, which can be extended to various engine models. The VR system is evaluated with controlled experiments of two groups of students. The results demonstrate that our VR training system provides remarkable usability in terms of effectiveness and efficiency. Currently, our VR system has been demonstrated and employed in the courses of Chinese colleges to train students in automotive engine assembly and disassembly. A free-to-use executable file (Microsoft Windows) and open-source code are available at https://github.com/LadissonLai/SUSTech_VREngine for facilitating the development of VR systems in the automotive industry. Finally, a video describing the operations in our VR training system is available at https://www.youtube.com/watch?v=yZe4YTwwAC4
Generative Artificial Intelligence in Healthcare: Ethical Considerations and Assessment Checklist
Authors: Yilin Ning, Salinelat Teixayavong, Yuqing Shang, Julian Savulescu, Vaishaanth Nagaraj, Di Miao, Mayli Mertens, Daniel Shu Wei Ting, Jasmine Chiat Ling Ong, Mingxuan Liu, Jiuwen Cao, Michael Dunn, Roger Vaughan, Marcus Eng Hock Ong, Joseph Jao-Yiu Sung, Eric J Topol, Nan Liu
Date: 2023-11-02 00:00:00
Tasks: Ethics

The widespread use of ChatGPT and other emerging technology powered by generative artificial intelligence (GenAI) has drawn much attention to potential ethical issues, especially in high-stakes applications such as healthcare, but ethical discussions are yet to translate into operationalisable solutions. Furthermore, ongoing ethical discussions often neglect other types of GenAI that have been used to synthesise data (e.g., images) for research and practical purposes, which resolved some ethical issues and exposed others. We conduct a scoping review of ethical discussions on GenAI in healthcare to comprehensively analyse gaps in the current research, and further propose to reduce the gaps by developing a checklist for comprehensive assessment and transparent documentation of ethical discussions in GenAI research. The checklist can be readily integrated into the current peer review and publication system to enhance GenAI research, and may be used for ethics-related disclosures for GenAI-powered products, healthcare applications of such products and beyond.
Efficient Machine Learning Ensemble Methods for Detecting Gravitational Wave Glitches in LIGO Time Series
Authors: Elena-Simona Apostol, Ciprian-Octavian Truică
Date: 2023-11-02 00:00:00
Tasks: Deep Learning, Multi-class Classification, Time Series

The phenomenon of Gravitational Wave (GW) analysis has grown in popularity as technology has advanced and the process of observing gravitational waves has become more precise. Although the sensitivity and the frequency of observation of GW signals are constantly improving, the possibility of noise in the collected GW data remains. In this paper, we propose two new Machine and Deep learning ensemble approaches (i.e., ShallowWaves and DeepWaves Ensembles) for detecting different types of noise and patterns in datasets from GW observatories. Our research also investigates various Machine and Deep Learning techniques for multi-class classification and provides a comprehensive benchmark, emphasizing the best results in terms of three commonly used performance metrics (i.e., accuracy, precision, and recall). We train and test our models on a dataset consisting of annotated time series from real-world data collected by the Advanced Laser Interferometer GW Observatory (LIGO). We empirically show that the best overall accuracy is obtained by the proposed DeepWaves Ensemble, followed close by the ShallowWaves Ensemble.