Efficient Online Learning with Memory via Frank-Wolfe Optimization: Algorithms with Bounded Dynamic Regret and Applications to Control

Projection operations are a typical computation bottleneck in online learning. In this paper, we enable projection-free online learning within the framework of Online Convex Optimization with Memory (OCO-M) -- OCO-M captures how the history of decisions affects the current outcome by allowing the online learning loss functions to depend on both current and past decisions. Particularly, we introduce the first projection-free meta-base learning algorithm with memory that minimizes dynamic regret, i.e., that minimizes the suboptimality against any sequence of time-varying decisions. We are motivated by artificial intelligence applications where autonomous agents need to adapt to time-varying environments in real-time, accounting for how past decisions affect the present. Examples of such applications are: online control of dynamical systems; statistical arbitrage; and time series prediction. The algorithm builds on the Online Frank-Wolfe (OFW) and Hedge algorithms. We demonstrate how our algorithm can be applied to the online control of linear time-varying systems in the presence of unpredictable process noise. To this end, we develop a controller with memory and bounded dynamic regret against any optimal time-varying linear feedback control policy. We validate our algorithm in simulated scenarios of online control of linear time-invariant systems.Comment: The version corrects proofs and updates presentatio

MolCPT: Molecule Continuous Prompt Tuning to Generalize Molecular Representation Learning

Molecular representation learning is crucial for the problem of molecular property prediction, where graph neural networks (GNNs) serve as an effective solution due to their structure modeling capabilities. Since labeled data is often scarce and expensive to obtain, it is a great challenge for GNNs to generalize in the extensive molecular space. Recently, the training paradigm of "pre-train, fine-tune" has been leveraged to improve the generalization capabilities of GNNs. It uses self-supervised information to pre-train the GNN, and then performs fine-tuning to optimize the downstream task with just a few labels. However, pre-training does not always yield statistically significant improvement, especially for self-supervised learning with random structural masking. In fact, the molecular structure is characterized by motif subgraphs, which are frequently occurring and influence molecular properties. To leverage the task-related motifs, we propose a novel paradigm of "pre-train, prompt, fine-tune" for molecular representation learning, named molecule continuous prompt tuning (MolCPT). MolCPT defines a motif prompting function that uses the pre-trained model to project the standalone input into an expressive prompt. The prompt effectively augments the molecular graph with meaningful motifs in the continuous representation space; this provides more structural patterns to aid the downstream classifier in identifying molecular properties. Extensive experiments on several benchmark datasets show that MolCPT efficiently generalizes pre-trained GNNs for molecular property prediction, with or without a few fine-tuning steps

Proceedings of the 4th Symposium on Management of Future Motorway and Urban Traffic Systems 2022

The 4th Symposium on Management of Future Motorway and Urban Traffic Systems (MFTS) was held in Dresden, Germany, from November 30th to December 2nd, 2022. Organized by the Chair of Traffic Process Automation (VPA) at the “Friedrich List” Faculty of Transport and Traffic Sciences of the TU Dresden, the proceedings of this conference are published as volume 9 in the Chair’s publication series “Verkehrstelematik” and contain a large part of the presented conference extended abstracts. The focus of the MFTS conference 2022 was cooperative management of multimodal transport and reflected the vision of the professorship to be an internationally recognized group in ITS research and education with the goal of optimizing the operation of multimodal transport systems. In 14 MFTS sessions, current topics in demand and traffic management, traffic control in conventional, connected and automated transport, connected and autonomous vehicles, traffic flow modeling and simulation, new and shared mobility systems, digitization, and user behavior and safety were discussed. In addition, special sessions were organized, for example on “Human aspects in traffic modeling and simulation” and “Lesson learned from Covid19 pandemic”, whose descriptions and analyses are also included in these proceedings.:1 Connected and Automated Vehicles 1.1 Traffic-based Control of Truck Platoons on Freeways 1.2 A Lateral Positioning Strategy for Connected and Automated Vehicles in Lane-free Traffic 1.3 Simulation Methods for Mixed Legacy-Autonomous Mainline Train Operations 1.4 Can Dedicated Lanes for Automated Vehicles on Urban Roads Improve Traffic Efficiency? 1.5 GLOSA System with Uncertain Green and Red Signal Phases 2 New Mobility Systems 2.1 A New Model for Electric Vehicle Mobility and Energy Consumption in Urban Traffic Networks 2.2 Shared Autonomous Vehicles Implementation for a Disrupted Public Transport Network 3 Traffic Flow and Simulation 3.1 Multi-vehicle Stochastic Fundamental Diagram Consistent with Transportations Systems Theory 3.2 A RoundD-like Roundabout Scenario in CARLA Simulator 3.3 Multimodal Performance Evaluation of Urban Traffic Control: A Microscopic Simulation Study 3.4 A MILP Framework to Solve the Sustainable System Optimum with Link MFD Functions 3.5 On How Traffic Signals Impact the Fundamental Diagrams of Urban Roads 4 Traffic Control in Conventional Traffic 4.1 Data-driven Methods for Identifying Travel Conditions Based on Traffic and Weather Characteristics 4.2 AI-based Multi-class Traffic Model Oriented to Freeway Traffic Control 4.3 Exploiting Deep Learning and Traffic Models for Freeway Traffic Estimation 4.4 Automatic Design of Optimal Actuated Traffic Signal Control with Transit Signal Priority 4.5 A Deep Reinforcement Learning Approach for Dynamic Traffic Light Control with Transit Signal Priority 4.6 Towards Efficient Incident Detection in Real-time Traffic Management 4.7 Dynamic Cycle Time in Traffic Signal of Cyclic Max-Pressure Control 5 Traffic Control with Autonomous Vehicles 5.1 Distributed Ordering and Optimization for Intersection Management with Connected and Automated Vehicles 5.2 Prioritization of an Automated Shuttle for V2X Public Transport at a Signalized Intersection – a Real-life Demonstration 6 User Behaviour and Safety 6.1 Local Traffic Safety Analyzer (LTSA) - Improved Road Safety and Optimized Signal Control for Future Urban Intersections 7 Demand and Traffic Management 7.1 A Stochastic Programming Method for OD Estimation Using LBSN Check-in Data 7.2 Delineation of Traffic Analysis Zone for Public Transportation OD Matrix Estimation Based on Socio-spatial Practices 8 Workshops 8.1 How to Integrate Human Aspects Into Engineering Science of Transport and Traffic? - a Workshop Report about Discussions on Social Contextualization of Mobility 8.2 Learning from Covid: How Can we Predict Mobility Behaviour in the Face of Disruptive Events? – How to Investigate the Mobility of the FutureDas 4. Symposium zum Management zukünftiger Autobahn- und Stadtverkehrssysteme (MFTS) fand vom 30. November bis 2. Dezember 2022 in Dresden statt und wurde vom Lehrstuhl für Verkehrsprozessautomatisierung (VPA) an der Fakultät Verkehrswissenschaften„Friedrich List“ der TU Dresden organisiert. Der Tagungsband erscheint als Band 9 in der Schriftenreihe „Verkehrstelematik“ des Lehrstuhls und enthält einen Großteil der vorgestellten Extended-Abstracts des Symposiums. Der Schwerpunkt des MFTS-Symposiums 2022 lag auf dem kooperativen Management multimodalen Verkehrs und spiegelte die Vision der Professur wider, eine international anerkannte Gruppe in der ITS-Forschung und -Ausbildung mit dem Ziel der Optimierung des Betriebs multimodaler Transportsysteme zu sein. In 14 MFTS-Sitzungen wurden aktuelle Themen aus den Bereichen Nachfrage- und Verkehrsmanagement, Verkehrssteuerung im konventionellen, vernetzten und automatisierten Verkehr, vernetzte und autonome Fahrzeuge, Verkehrsflussmodellierung und -simulation, neue und geteilte Mobilitätssysteme, Digitalisierung sowie Nutzerverhalten und Sicherheit diskutiert. Darüber hinaus wurden Sondersitzungen organisiert, beispielsweise zu „Menschlichen Aspekten bei der Verkehrsmodellierung und -simulation“ und „Lektionen aus der Covid-19-Pandemie“, deren Beschreibungen und Analysen ebenfalls in diesen Tagungsband einfließen.:1 Connected and Automated Vehicles 1.1 Traffic-based Control of Truck Platoons on Freeways 1.2 A Lateral Positioning Strategy for Connected and Automated Vehicles in Lane-free Traffic 1.3 Simulation Methods for Mixed Legacy-Autonomous Mainline Train Operations 1.4 Can Dedicated Lanes for Automated Vehicles on Urban Roads Improve Traffic Efficiency? 1.5 GLOSA System with Uncertain Green and Red Signal Phases 2 New Mobility Systems 2.1 A New Model for Electric Vehicle Mobility and Energy Consumption in Urban Traffic Networks 2.2 Shared Autonomous Vehicles Implementation for a Disrupted Public Transport Network 3 Traffic Flow and Simulation 3.1 Multi-vehicle Stochastic Fundamental Diagram Consistent with Transportations Systems Theory 3.2 A RoundD-like Roundabout Scenario in CARLA Simulator 3.3 Multimodal Performance Evaluation of Urban Traffic Control: A Microscopic Simulation Study 3.4 A MILP Framework to Solve the Sustainable System Optimum with Link MFD Functions 3.5 On How Traffic Signals Impact the Fundamental Diagrams of Urban Roads 4 Traffic Control in Conventional Traffic 4.1 Data-driven Methods for Identifying Travel Conditions Based on Traffic and Weather Characteristics 4.2 AI-based Multi-class Traffic Model Oriented to Freeway Traffic Control 4.3 Exploiting Deep Learning and Traffic Models for Freeway Traffic Estimation 4.4 Automatic Design of Optimal Actuated Traffic Signal Control with Transit Signal Priority 4.5 A Deep Reinforcement Learning Approach for Dynamic Traffic Light Control with Transit Signal Priority 4.6 Towards Efficient Incident Detection in Real-time Traffic Management 4.7 Dynamic Cycle Time in Traffic Signal of Cyclic Max-Pressure Control 5 Traffic Control with Autonomous Vehicles 5.1 Distributed Ordering and Optimization for Intersection Management with Connected and Automated Vehicles 5.2 Prioritization of an Automated Shuttle for V2X Public Transport at a Signalized Intersection – a Real-life Demonstration 6 User Behaviour and Safety 6.1 Local Traffic Safety Analyzer (LTSA) - Improved Road Safety and Optimized Signal Control for Future Urban Intersections 7 Demand and Traffic Management 7.1 A Stochastic Programming Method for OD Estimation Using LBSN Check-in Data 7.2 Delineation of Traffic Analysis Zone for Public Transportation OD Matrix Estimation Based on Socio-spatial Practices 8 Workshops 8.1 How to Integrate Human Aspects Into Engineering Science of Transport and Traffic? - a Workshop Report about Discussions on Social Contextualization of Mobility 8.2 Learning from Covid: How Can we Predict Mobility Behaviour in the Face of Disruptive Events? – How to Investigate the Mobility of the Futur

Decentralized Composite Optimization in Stochastic Networks: A Dual Averaging Approach with Linear Convergence

Decentralized optimization, particularly the class of decentralized composite convex optimization (DCCO) problems, has found many applications. Due to ubiquitous communication congestion and random dropouts in practice, it is highly desirable to design decentralized algorithms that can handle stochastic communication networks. However, most existing algorithms for DCCO only work in time-invariant networks and cannot be extended to stochastic networks because they inherently need knowledge of network topology $\textit{a priori}$. In this paper, we propose a new decentralized dual averaging (DDA) algorithm that can solve DCCO in stochastic networks. Under a rather mild condition on stochastic networks, we show that the proposed algorithm attains $\textit{global linear convergence}$ if each local objective function is strongly convex. Our algorithm substantially improves the existing DDA-type algorithms as the latter were only known to converge $\textit{sublinearly}$ prior to our work. The key to achieving the improved rate is the design of a novel dynamic averaging consensus protocol for DDA, which intuitively leads to more accurate local estimates of the global dual variable. To the best of our knowledge, this is the first linearly convergent DDA-type decentralized algorithm and also the first algorithm that attains global linear convergence for solving DCCO in stochastic networks. Numerical results are also presented to support our design and analysis.Comment: 22 pages, 2 figure