ICML 2025 论文列表

International Conference on Machine Learning

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3,342篇论文

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    2256.7%
  • Poster
    2,99689.6%

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Improving Multi-Class Calibration through Normalization-Aware Isotonic Techniques

Alon Arad, Saharon Rosset

展开摘要

Accurate and reliable probability predictions are essential for multi-class supervised learning tasks, where well-calibrated models enable rational decision-making. While isotonic regression has proven effective for binary calibration, its extension to multi-class problems via one-vs-rest calibration often produces suboptimal results, limiting its practical adoption. In this work, we propose novel isotonic normalization-aware techniques for multi-class calibration, grounded in natural and intuitive assumptions expected by practitioners. Unlike prior approaches, our methods inherently account for probability normalization by either incorporating normalization directly into the optimization process (**NA-FIR**) or modeling the problem as a cumulative bivariate isotonic regression (**SCIR**). Empirical evaluations on a variety of text and image classification datasets across different model architectures reveal that our approach consistently improves log loss and expected calibration error (ECE) metrics. These findings underscore the potential of our approach to enhance a-parametric multi-class calibration practices, offering an adaptable solution for real-world applications.

Poster
PROTOCOL: Partial Optimal Transport-enhanced Contrastive Learning for Imbalanced Multi-view Clustering

Xuqian Xue, Yiming Lei, Qi Cai, Hongming Shan, Junping Zhang

展开摘要

While contrastive multi-view clustering has achieved remarkable success, it implicitly assumes balanced class distribution. However, real-world multi-view data primarily exhibits class imbalance distribution. Consequently, existing methods suffer performance degradation due to their inability to perceive and model such imbalance. To address this challenge, we present the first systematic study of imbalanced multi-view clustering, focusing on two fundamental problems: *i. perceiving class imbalance distribution*, and *ii. mitigating representation degradation of minority samples*. We propose PROTOCOL, a novel PaRtial Optimal TranspOrt-enhanced COntrastive Learning framework for imbalanced multi-view clustering. First, for class imbalance perception, we map multi-view features into a consensus space and reformulate the imbalanced clustering as a partial optimal transport (POT) problem, augmented with *progressive mass constraints* and *weighted KL divergence* for class distributions. Second, we develop a POT-enhanced class-rebalanced contrastive learning at both feature and class levels, incorporating *logit adjustment* and *class-sensitive learning* to enhance minority sample representations. Extensive experiments demonstrate that PROTOCOL significantly improves clustering performance on imbalanced multi-view data, filling a critical research gap in this field.

Poster
Synthesizing Software Engineering Data in a Test-Driven Manner

Lei Zhang, Jiaxi Yang, Min Yang, Jian Yang, Mouxiang Chen, Jiajun Zhang, Zeyu Cui, Binyuan Hui, Junyang Lin

展开摘要

We introduce **SWE-Flow**, a novel data synthesis framework grounded in Test-Driven Development (TDD). Unlike existing software engineering data that rely on human-submitted issues, **SWE-Flow** automatically infers incremental development steps directly from unit tests, which inherently encapsulate high-level requirements. The core of **SWE-Flow** is the construction of a Runtime Dependency Graph (RDG), which precisely captures function interactions, enabling the generation of a structured, step-by-step *development schedule*. At each step, **SWE-Flow** produces a partial codebase, the corresponding unit tests, and the necessary code modifications, resulting in fully verifiable TDD tasks. With this approach, we generated 16,061 training instances and 2,020 test instances from real-world GitHub projects, creating the **SWE-Flow-Eval** benchmark. Our experiments show that fine-tuning open model on this dataset significantly improves performance in TDD-based coding. To facilitate further research, we release all code, datasets, models, and Docker images at [Github](https://github.com/Hambaobao/SWE-Flow).

Poster
Boosting Virtual Agent Learning and Reasoning: A Step-Wise, Multi-Dimensional, and Generalist Reward Model with Benchmark

Bingchen Miao, Yang Wu, Minghe Gao, Qifan Yu, Wendong Bu, Wenqiao Zhang, liyunfei, Siliang Tang, Tat-Seng Chua, Juncheng Li

展开摘要

The development of Generalist Virtual Agents (GVAs) has shown significant promise in autonomous task execution. However, current training paradigms face critical limitations, including reliance on outcome supervision and labor-intensive human annotations. To address these challenges, we propose **Similar**, a **s**tep-w**i**se **m**ult**i**-dimensiona**l** gener**a**list **r**eward model, which offers fine-grained signals for agent training and can choose better actions for inference-time scaling. Specifically, we begin by systematically defining five dimensions for evaluating agent actions. Building on this framework, we design an MCTS-P algorithm to automatically collect and annotate step-wise, five-dimensional agent execution data. Using this data, we train **Similar** with our crafted Triple-M strategy. Furthermore, we introduce the first benchmark in the virtual agent domain for step-wise, multi-dimensional reward model training and evaluation, named ***SRM***. This benchmark consists of two components: ***SRMTrain***, which serves as the training set for **Similar**, and ***SRMEval***, a manually selected test set for evaluating the reward model. Experimental results demonstrate that **Similar**, through its step-wise, multi-dimensional assessment and synergistic gain, provides GVAs with effective intermediate signals during both training and inference-time scaling. The code is available at [https://github.com/antgroup/Similar](https://github.com/antgroup/Similar).

Poster
Fundamental limits of learning in sequence multi-index models and deep attention networks: high-dimensional asymptotics and sharp thresholds

Emanuele Troiani, Hugo Cui, Yatin Dandi, Florent Krzakala, Lenka Zdeborova

展开摘要

In this manuscript, we study the learning of deep attention neural networks, defined as the composition of multiple self-attention layers, with tied and low-rank weights. We first establish a mapping of such models to sequence multi-index models, a generalization of the widely studied multi-index model to sequential covariates, for which we establish a number of general results. In the context of Bayes-optimal learning, in the limit of large dimension $D$ and proportionally large number of samples $N$, we derive a sharp asymptotic characterization of the optimal performance as well as the performance of the best-known polynomial-time algorithm for this setting --namely approximate message-passing--, and characterize sharp thresholds on the minimal sample complexity required for better-than-random prediction performance. Our analysis uncovers, in particular, how the different layers are learned sequentially. Finally, we discuss how this sequential learning can also be observed in a realistic setup.

Poster
Agent Workflow Memory

Zora Zhiruo Wang, Jiayuan Mao, Daniel Fried, Graham Neubig

展开摘要

Despite the potential of language model-based agents to solve real-world tasks such as web navigation, current methods still struggle with long-horizon tasks with complex action trajectories. In contrast, humans can flexibly solve complex tasks by learning reusable task workflows from past experiences and using them to guide future actions. To build agents that can similarly benefit from this process, we introduce Agent Workflow Memory (AWM), a method for inducing commonly reused routines, i.e., workflows, and selectively providing workflows to the agent to guide subsequent generations. AWM flexibly applies to both offline and online scenarios, where agents induce workflows from training examples beforehand or from test queries on the fly. We experiment on two major web navigation benchmarks — Mind2Web and WebArena — that collectively cover 1000+ tasks from 200+ domains across travel, shopping, and social media, among others. AWM substantially improves the baseline results by 24.6% and 51.1% relative success rate on Mind2Web and WebArena while reducing the number of steps taken to solve WebArena tasks successfully. Furthermore, online AWM robustly generalizes in cross-task, website, and domain evaluations, surpassing baselines from 8.9 to 14.0 absolute points as train-test task distribution gaps widen.

Poster
Learning Strategic Language Agents in the Werewolf Game with Iterative Latent Space Policy Optimization

Zelai Xu, Wanjun Gu, Chao Yu, Yi Wu, Yu Wang

展开摘要

Large language model (LLM) agents have recently demonstrated impressive capabilities in various domains like open-ended conversation and multi-step decision-making. However, it remains challenging for these agents to solve strategic language games, such as Werewolf, which demand both strategic decision-making and free-form language interactions. Existing LLM agents often suffer from intrinsic bias in their action distributions and limited exploration of the unbounded text action space, resulting in suboptimal performance. To address these challenges, we propose Latent Space Policy Optimization (LSPO), an iterative framework that combines game-theoretic methods with LLM fine-tuning to build strategic language agents. LSPO leverages the observation that while the language space is combinatorially large, the underlying strategy space is relatively compact. We first map free-form utterances into a finite latent strategy space, yielding an abstracted extensive-form game. Then we apply game-theoretic methods like Counterfactual Regret Minimization (CFR) to optimize the policy in the latent space. Finally, we fine-tune the LLM via Direct Preference Optimization (DPO) to align with the learned policy. By iteratively alternating between these steps, our LSPO agents progressively enhance both strategic reasoning and language communication. Experiment on the Werewolf game shows that our agents iteratively expand the strategy space with improving performance and outperform existing Werewolf agents, underscoring their effectiveness in free-form language games with strategic interactions.

Poster
Concurrent Reinforcement Learning with Aggregated States via Randomized Least Squares Value Iteration

Yan Chen, Qinxun Bai, Yiteng Zhang, Maria Dimakopoulou, Shi Dong, Qi Sun, Zhengyuan Zhou

展开摘要

Designing learning agents that explore efficiently in a complex environment has been widely recognized as a fundamental challenge in reinforcement learning. While a number of works have demonstrated the effectiveness of techniques based on randomized value functions on a single agent, it remains unclear, from a theoretical point of view, whether injecting randomization can help a society of agents concurently explore an environment. The theoretical results established in this work tender an affirmative answer to this question. We adapt the concurrent learning framework to randomized least-squares value iteration (RLSVI) with aggregated state representation. We demonstrate polynomial worst-case regret bounds in both finite- and infinite-horizon environments. In both setups the per-agent regret decreases at an optimal rate of $\Theta\left(\frac{1}{\sqrt{N}}\right)$, highlighting the advantage of concurent learning. Our algorithm exhibits significantly lower space complexity compared to Russo (2019) and Agrawal et. al (2021). We reduce the space complexity by a factor of $K$ while incurring only a $\sqrt{K}$ increase in the worst-case regret bound, compared to Russo (2019) and Agrawal et. al (2021). Interestingly, our algorithm improves the worst-case regret bound of Russo (2019) by a factor of $H^{1/2}$, matching the improvement in Agrawal et. al (2021). However, this result is achieved through a fundamentally different algorithmic enhancement and proof technique. Additionally, we conduct numerical experiments to demonstrate our theoretical findings.

Poster
OrcaLoca: An LLM Agent Framework for Software Issue Localization

Zhongming Yu, Hejia Zhang, Yujie Zhao, Hanxian Huang, Matrix Yao, Ke Ding, Jishen Zhao

展开摘要

Recent developments in Large Language Model (LLM) agents are revolutionizing Autonomous Software Engineering (ASE), enabling automated coding, problem fixes, and feature improvements. However, localization -- precisely identifying software problems by navigating to relevant code sections -- remains a significant challenge. Current approaches often yield suboptimal results due to a lack of effective integration between LLM agents and precise code search mechanisms. This paper introduces OrcaLoca, an LLM agent framework that improves accuracy for software issue localization by integrating priority-based scheduling for LLM-guided action, action decomposition with relevance scoring, and distance-aware context pruning. Experimental results demonstrate that OrcaLoca becomes the new open-source state-of-the-art (SOTA) in function match rate (65.33%) on SWE-bench Lite. It also improves the final resolved rate of an open-source framework by 6.33 percentage points through its patch generation integration.

Poster
Position: Uncertainty Quantification Needs Reassessment for Large Language Model Agents

Michael Kirchhof, Gjergji Kasneci, Enkelejda Kasneci

展开摘要

Large-language models (LLMs) and chatbot agents are known to provide wrong outputs at times, and it was recently found that this can never be fully prevented. Hence, uncertainty quantification plays a crucial role, aiming to quantify the level of ambiguity in either one overall number or two numbers for aleatoric and epistemic uncertainty. This position paper argues that this traditional dichotomy of uncertainties is too limited for the open and interactive setup that LLM agents operate in when communicating with a user, and that we need to research avenues that enrich uncertainties in this novel scenario. We review the literature and find that popular definitions of aleatoric and epistemic uncertainties directly contradict each other and lose their meaning in interactive LLM agent settings. Hence, we propose three novel research directions that focus on uncertainties in such human-computer interactions: Underspecification uncertainties, for when users do not provide all information or define the exact task at the first go, interactive learning, to ask follow-up questions and reduce the uncertainty about the current context, and output uncertainties, to utilize the rich language and speech space to express uncertainties as more than mere numbers. We expect that these new ways of dealing with and communicating uncertainties will lead to LLM agent interactions that are more transparent, trustworthy, and intuitive.

Poster
G-Designer: Architecting Multi-agent Communication Topologies via Graph Neural Networks

Guibin Zhang, Yanwei Yue, Xiangguo Sun, G. W., Miao Yu, Junfeng Fang, Kun Wang, Tianlong Chen, Dawei Cheng

展开摘要

Recent advancements in large language model (LLM)-based agents have demonstrated that collective intelligence can significantly surpass the capabilities of individual agents, primarily due to well-crafted inter-agent communication topologies. Despite the diverse and high-performing designs available, practitioners often face confusion when selecting the most effective pipeline for their specific task: \textit{Which topology is the best choice for my task, avoiding unnecessary communication token overhead while ensuring high-quality solution?} In response to this dilemma, we introduce G-Designer, an adaptive, efficient, and robust solution for multi-agent deployment, which dynamically designs task-aware, customized communication topologies. Specifically, G-Designer models the multi-agent system as a multi-agent network, leveraging a variational graph auto-encoder to encode both the nodes (agents) and a task-specific virtual node, and decodes a task-adaptive and high-performing communication topology. Extensive experiments on six benchmarks showcase that G-Designer is: \textbf{(1) high-performing}, achieving superior results on MMLU with accuracy at $84.50\\%$ and on HumanEval with pass@1 at $89.90\\%$; \textbf{(2) task-adaptive}, architecting communication protocols tailored to task difficulty, reducing token consumption by up to $95.33\\%$ on HumanEval; and \textbf{(3) adversarially robust}, defending against agent adversarial attacks with merely $0.3\\%$ accuracy drop.

Spotlight
Learning to Stop: Deep Learning for Mean Field Optimal Stopping

Lorenzo Magnino, Yuchen Zhu, Mathieu Lauriere

展开摘要

Optimal stopping is a fundamental problem in optimization with applications in risk management, finance, robotics, and machine learning. We extend the standard framework to a multi-agent setting, named multi-agent optimal stopping (MAOS), where agents cooperate to make optimal stopping decisions in a finite-space, discrete-time environment. Since solving MAOS becomes computationally prohibitive as the number of agents is very large, we study the mean-field optimal stopping (MFOS) problem, obtained as the number of agents tends to infinity. We establish that MFOS provides a good approximation to MAOS and prove a dynamic programming principle (DPP) based on mean-field control theory. We then propose two deep learning approaches: one that learns optimal stopping decisions by simulating full trajectories and another that leverages the DPP to compute the value function and to learn the optimal stopping rule using backward induction. Both methods train neural networks to approximate optimal stopping policies. We demonstrate the effectiveness and the scalability of our work through numerical experiments on 6 different problems in spatial dimension up to 300. To the best of our knowledge, this is the first work to formalize and computationally solve MFOS in discrete time and finite space, opening new directions for scalable MAOS methods.

Poster
Hybrid Quantum-Classical Multi-Agent Pathfinding

Thore Gerlach, Loong Kuan Lee, Frederic BARBARESCO, Nico Piatkowski

展开摘要

Multi-Agent Path Finding (MAPF) focuses on determining conflict-free paths for multiple agents navigating through a shared space to reach specified goal locations. This problem becomes computationally challenging, particularly when handling large numbers of agents, as frequently encountered in practical applications like coordinating autonomous vehicles. Quantum Computing (QC) is a promising candidate in overcoming such limits. However, current quantum hardware is still in its infancy and thus limited in terms of computing power and error robustness. In this work, we present the first optimal hybrid quantum-classical MAPF algorithms which are based on branch-and-cut-and-prize. QC is integrated by iteratively solving QUBO problems, based on conflict graphs. Experiments on actual quantum hardware and results on benchmark data suggest that our approach dominates previous QUBO formulations and state-of-the-art MAPF solvers.

Poster
GradPS: Resolving Futile Neurons in Parameter Sharing Network for Multi-Agent Reinforcement Learning

Haoyuan Qin, Zhengzhu Liu, Chenxing Lin, Chennan Ma, Songzhu Mei, Siqi Shen, Cheng Wang

展开摘要

Parameter-sharing (PS) techniques have been widely adopted in cooperative Multi-Agent Reinforcement Learning (MARL). In PS, all the agents share a policy network with identical parameters, which enjoys good sample efficiency. However, PS could lead to homogeneous policies that limit MARL performance. We tackle this problem from the angle of gradient conflict among agents. We find that the existence of futile neurons whose update is canceled out by gradient conflicts among agents leads to poor learning efficiency and diversity. To address this deficiency, we propose GradPS, a gradient-based PS method. It dynamically creates multiple clones for each futile neuron. For each clone, a group of agents with low gradient-conflict shares the neuron's parameters. Our method can enjoy good sample efficiency by sharing the gradients among agents of the same clone neuron. Moreover, it can encourage diverse behaviors through independently updating an exclusive clone neuron. Through extensive experiments, we show that GradPS can learn diverse policies with promising performance. The source code for GradPS is available in \url{https://github.com/xmu-rl-3dv/GradPS}.

Poster
BalancEdit: Dynamically Balancing the Generality-Locality Trade-off in Multi-modal Model Editing

Dongliang Guo, Mengxuan Hu, Zihan Guan, Thomas Hartvigsen, Sheng Li

展开摘要

Large multi-modal models inevitably decay over time as facts update and previously learned information becomes outdated. Traditional approaches such as fine-tuning are often impractical for updating these models due to their size and complexity. Instead, direct knowledge editing within the models presents a more viable solution. Current model editing techniques, however, typically overlook the unique influence ranges of different facts, leading to compromised model performance in terms of both generality and locality. To address this issue, we introduce the concept of the generality-locality trade-off in multi-modal model editing. We develop a new model editing dataset named OKEDIT, specifically designed to effectively evaluate this trade-off. Building on this foundation, we propose \textbf{BalancEdit}, a novel method for balanced model editing that dynamically achieves an optimal balance between generality and locality. BalancEdit utilizes a unique mechanism that generates both positive and negative samples for each fact to accurately determine its influence scope and incorporates these insights into the model's latent space using a discrete, localized codebook of edits, without modifying the underlying model weights. To our knowledge, this is the first approach explicitly addressing the generality-locality trade-off in multi-modal model editing. Our comprehensive results confirm the effectiveness of BalancEdit, demonstrating minimal trade-offs while maintaining robust editing capabilities. Our code and dataset are available at https://github.com/donglgcn/BalancEdit/tree/MMOKVQA.

Poster
Revisiting Cooperative Off-Policy Multi-Agent Reinforcement Learning

Yueheng Li, Guangming Xie, Zongqing Lu

展开摘要

Cooperative Multi-Agent Reinforcement Learning (MARL) has become a critical tool for addressing complex real-world problems. However, off-policy MARL methods, which rely on joint Q-functions, face significant scalability challenges due to the exponentially growing joint action space. In this work, we highlight a critical yet often overlooked issue: erroneous Q-target estimation, primarily caused by extrapolation error. Our analysis reveals that this error becomes increasingly severe as the number of agents grows, leading to unique challenges in MARL due to its expansive joint action space and the decentralized execution paradigm. To address these challenges, we propose a suite of techniques tailored for off-policy MARL, including annealed multi-step bootstrapping, averaged Q-targets, and restricted action representation. Experimental results demonstrate that these methods effectively mitigate erroneous estimations, yielding substantial performance improvements in challenging benchmarks such as SMAC, SMACv2, and Google Research Football.

Poster
EvoControl: Multi-Frequency Bi-Level Control for High-Frequency Continuous Control

Samuel Holt, Todor Davchev, Dhruva Tirumala, Ben Moran, Atil Iscen, Antoine Laurens, Yixin Lin, Erik Frey, Markus Wulfmeier, Francesco Romano, Nicolas Heess

展开摘要

High-frequency control in continuous action and state spaces is essential for practical applications in the physical world. Directly applying end-to-end reinforcement learning to high-frequency control tasks struggles with assigning credit to actions across long temporal horizons, compounded by the difficulty of efficient exploration. The alternative, learning low-frequency policies that guide higher-frequency controllers (e.g., proportional-derivative (PD) controllers), can result in a limited total expressiveness of the combined control system, hindering overall performance. We introduce *EvoControl*, a novel bi-level policy learning framework for learning both a slow high-level policy (using PPO) and a fast low-level policy (using Evolution Strategies) for solving continuous control tasks. Learning with Evolution Strategies for the lower-policy allows robust learning for long horizons that crucially arise when operating at higher frequencies. This enables *EvoControl* to learn to control interactions at a high frequency, benefitting from more efficient exploration and credit assignment than direct high-frequency torque control without the need to hand-tune PD parameters. We empirically demonstrate that *EvoControl* can achieve a higher evaluation reward for continuous-control tasks compared to existing approaches, specifically excelling in tasks where high-frequency control is needed, such as those requiring safety-critical fast reactions.

Poster
EmoGrowth: Incremental Multi-label Emotion Decoding with Augmented Emotional Relation Graph

Kaicheng Fu, Changde Du, Jie Peng, Kunpeng Wang, Shuangchen Zhao, Xiaoyu Chen, Huiguang He

展开摘要

Emotion recognition systems face significant challenges in real-world applications, where novel emotion categories continually emerge and multiple emotions often co-occur. This paper introduces multi-label fine-grained class incremental emotion decoding, which aims to develop models capable of incrementally learning new emotion categories while maintaining the ability to recognize multiple concurrent emotions. We propose an Augmented Emotional Semantics Learning (AESL) framework to address two critical challenges: past- and future-missing partial label problems. AESL incorporates an augmented Emotional Relation Graph (ERG) for reliable soft label generation and affective dimension-based knowledge distillation for future-aware feature learning. We evaluate our approach on three datasets spanning brain activity and multimedia domains, demonstrating its effectiveness in decoding up to 28 fine-grained emotion categories. Results show that AESL significantly outperforms existing methods while effectively mitigating catastrophic forgetting. Our code is available at https://github.com/ChangdeDu/EmoGrowth.

Poster
Which Agent Causes Task Failures and When? On Automated Failure Attribution of LLM Multi-Agent Systems

Shaokun Zhang, Ming Yin, Jieyu Zhang, Jiale Liu, Zhiguang Han, Jingyang Zhang, Beibin Li, Chi Wang, Huazheng Wang, Yiran Chen, Qingyun Wu

展开摘要

Failure attribution in LLM multi-agent systems—identifying the agent and step responsible for task failures—provides crucial clues for systems debugging but remains underexplored and labor-intensive. In this paper, we propose and formulate a new research area: automated failure attribution for LLM multi-agent systems. To support this initiative, we introduce the Who\&When dataset, comprising extensive failure logs from 127 LLM multi-agent systems with fine-grained annotations linking failures to specific agents and decisive error steps. Using the Who\&When, we develop and evaluate three automated failure attribution methods, summarizing their corresponding pros and cons. The best method achieves 53.5\% accuracy in identifying failure-responsible agents but only 14.2\% in pinpointing failure steps, with some methods performing below random. Even SOTA reasoning models, such as OpenAI o1 and DeepSeek R1, fail to achieve practical usability. These results highlight the task's complexity and the need for further research in this area. Code and dataset are available in https://github.com/mingyin1/Agents_Failure_Attribution.

Spotlight
Prediction-Aware Learning in Multi-Agent Systems

Aymeric Capitaine, Etienne Boursier, Eric Moulines, Michael I. Jordan, Alain Oliviero Durmus

展开摘要

The framework of uncoupled online learning in multiplayer games has made significant progress in recent years. In particular, the development of time-varying games has considerably expanded its modeling capabilities. However, current regret bounds quickly become vacuous when the game undergoes significant variations over time, even when these variations are easy to predict. Intuitively, the ability of players to forecast future payoffs should lead to tighter guarantees, yet existing approaches fail to incorporate this aspect. This work aims to fill this gap by introducing a novel prediction-aware framework for time-varying games, where agents can forecast future payoffs and adapt their strategies accordingly. In this framework, payoffs depend on an underlying state of nature that agents predict in an online manner. To leverage these predictions, we propose the POMWU algorithm, a contextual extension of the optimistic Multiplicative Weight Update algorithm, for which we establish theoretical guarantees on social welfare and convergence to equilibrium. Our results demonstrate that, under bounded prediction errors, the proposed framework achieves performance comparable to the static setting. Finally, we empirically demonstrate the effectiveness of POMWU in a traffic routing experiment.

Poster