Learning Graphical Models
Z-Merge: Multi-Agent Reinforcement Learning for On-Ramp Merging with Zone-Specific V2X Traffic Information
Ibork, Yassine, Won, Myounggyu, Das, Lokesh
Ramp merging is a critical and challenging task for autonomous vehicles (A Vs), particularly in mixed traffic environments with human-driven vehicles (HVs). Existing approaches typically rely on either lane-changing or inter-vehicle gap creation strategies based solely on local or neighboring information, often leading to sub-optimal performance in terms of safety and traffic efficiency. In this paper, we present a V2X (vehicle-to-everything communication)-assisted Multiagent Reinforcement Learning (MARL) framework for on-ramp merging that effectively coordinates the complex interplay between lane-changing and inter-vehicle gap adaptation strategies by utilizing zone-specific global information available from a roadside unit (RSU). The merging control problem is formulated as a Multiagent Partially Observable Markov Decision Process (MA-POMDP), where agents leverage both local and global observations through V2X communication. To support both discrete and continuous control decisions, we design a hybrid action space and adopt a parameterized deep Q-learning approach. Extensive simulations, integrating the SUMO traffic simulator and the MOSAIC V2X simulator, demonstrate that our framework significantly improves merging success rate, traffic efficiency, and road safety across diverse traffic scenarios.
Uncertainty-Aware Measurement of Scenario Suite Representativeness for Autonomous Systems
Chakherlou, Robab Aghazadeh, Khastgir, Siddartha, Zhao, Xingyu, Jeyachandran, Jerein, Chen, Shufeng
Assuring the trustworthiness and safety of AI systems, e.g., autonomous vehicles (AV), depends critically on the data-related safety properties, e.g., representativeness, completeness, etc., of the datasets used for their training and testing. Among these properties, this paper focuses on representativeness-the extent to which the scenario-based data used for training and testing, reflect the operational conditions that the system is designed to operate safely in, i.e., Operational Design Domain (ODD) or expected to encounter, i.e., Target Operational Domain (TOD). We propose a probabilistic method that quantifies representativeness by comparing the statistical distribution of features encoded by the scenario suites with the corresponding distribution of features representing the TOD, acknowledging that the true TOD distribution is unknown, as it can only be inferred from limited data. We apply an imprecise Bayesian method to handle limited data and uncertain priors. The imprecise Bayesian formulation produces interval-valued, uncertainty-aware estimates of representativeness, rather than a single value. We present a numerical example comparing the distributions of the scenario suite and the inferred TOD across operational categories-weather, road type, time of day, etc., under dependencies and prior uncertainty. We estimate representativeness locally (between categories) and globally as an interval.
Full-Atom Peptide Design via Riemannian-Euclidean Bayesian Flow Networks
Qian, Hao, Tu, Shikui, Xu, Lei
Diffusion and flow matching models have recently emerged as promising approaches for peptide binder design. Despite their progress, these models still face two major challenges. First, categorical sampling of discrete residue types collapses their continuous parameters into onehot assignments, while continuous variables (e.g., atom positions) evolve smoothly throughout the generation process. This mismatch disrupts the update dynamics and results in suboptimal performance. Second, current models assume unimodal distributions for side-chain torsion angles, which conflicts with the inherently multimodal nature of side chain rotameric states and limits prediction accuracy. To address these limitations, we introduce PepBFN, the first Bayesian flow network for full atom peptide design that directly models parameter distributions in fully continuous space. Specifically, PepBFN models discrete residue types by learning their continuous parameter distributions, enabling joint and smooth Bayesian updates with other continuous structural parameters. It further employs a novel Gaussian mixture based Bayesian flow to capture the multimodal side chain rotameric states and a Matrix Fisher based Riemannian flow to directly model residue orientations on the $\mathrm{SO}(3)$ manifold. Together, these parameter distributions are progressively refined via Bayesian updates, yielding smooth and coherent peptide generation. Experiments on side chain packing, reverse folding, and binder design tasks demonstrate the strong potential of PepBFN in computational peptide design.
Best-Effort Policies for Robust Markov Decision Processes
Abate, Alessandro, Badings, Thom, De Giacomo, Giuseppe, Fabiano, Francesco
We study the common generalization of Markov decision processes (MDPs) with sets of transition probabilities, known as robust MDPs (RMDPs). A standard goal in RMDPs is to compute a policy that maximizes the expected return under an adversarial choice of the transition probabilities. If the uncertainty in the probabilities is independent between the states, known as s-rectangularity, such optimal robust policies can be computed efficiently using robust value iteration. However, there might still be multiple optimal robust policies, which, while equivalent with respect to the worst-case, reflect different expected returns under non-adversarial choices of the transition probabilities. Hence, we propose a refined policy selection criterion for RMDPs, drawing inspiration from the notions of dominance and best-effort in game theory. Instead of seeking a policy that only maximizes the worst-case expected return, we additionally require the policy to achieve a maximal expected return under different (i.e., not fully adversarial) transition probabilities. We call such a policy an optimal robust best-effort (ORBE) policy. We prove that ORBE policies always exist, characterize their structure, and present an algorithm to compute them with a manageable overhead compared to standard robust value iteration. ORBE policies offer a principled tie-breaker among optimal robust policies. Numerical experiments show the feasibility of our approach.
Energy-based generator matching: A neural sampler for general state space
Woo, Dongyeop, Kim, Minsu, Kim, Minkyu, Seong, Kiyoung, Ahn, Sungsoo
We propose Energy-based generator matching (EGM), a modality-agnostic approach to train generative models from energy functions in the absence of data. Extending the recently proposed generator matching, EGM enables training of arbitrary continuous-time Markov processes, e.g., diffusion, flow, and jump, and can generate data from continuous, discrete, and a mixture of two modalities. To this end, we propose estimating the generator matching loss using self-normalized importance sampling with an additional bootstrapping trick to reduce variance in the importance weight. We validate EGM on both discrete and multimodal tasks up to 100 and 20 dimensions, respectively.
Robust Bayesian Optimisation with Unbounded Corruptions
Ezzerg, Abdelhamid, Bogunovic, Ilija, Knoblauch, Jeremias
Bayesian Optimization is critically vulnerable to extreme outliers. Existing provably robust methods typically assume a bounded cumulative corruption budget, which makes them defenseless against even a single corruption of sufficient magnitude. To address this, we introduce a new adversary whose budget is only bounded in the frequency of corruptions, not in their magnitude. We then derive RCGP-UCB, an algorithm coupling the famous upper confidence bound (UCB) approach with a Robust Conjugate Gaussian Process (RCGP). We present stable and adaptive versions of RCGP-UCB, and prove that they achieve sublinear regret in the presence of up to $O(T^{1/2})$ and $O(T^{1/3})$ corruptions with possibly infinite magnitude. This robustness comes at near zero cost: without outliers, RCGP-UCB's regret bounds match those of the standard GP-UCB algorithm.
Optimal control of the future via prospective learning with control
Bai, Yuxin, Acharyya, Aranyak, De Silva, Ashwin, Shen, Zeyu, Hassett, James, Vogelstein, Joshua T.
Optimal control of the future is the next frontier for AI. Current approaches to this problem are typically rooted in either reinforcement learning (RL). While powerful, this learning framework is mathematically distinct from supervised learning, which has been the main workhorse for the recent achievements in AI. Moreover, RL typically operates in a stationary environment with episodic resets, limiting its utility to more realistic settings. Here, we extend supervised learning to address learning to control in non-stationary, reset-free environments. Using this framework, called ''Prospective Learning with Control (PL+C)'', we prove that under certain fairly general assumptions, empirical risk minimization (ERM) asymptotically achieves the Bayes optimal policy. We then consider a specific instance of prospective learning with control, foraging -- which is a canonical task for any mobile agent -- be it natural or artificial. We illustrate that modern RL algorithms fail to learn in these non-stationary reset-free environments, and even with modifications, they are orders of magnitude less efficient than our prospective foraging agents.