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 Optimization


Structure Matters: Dynamic Policy Gradient

arXiv.org Artificial Intelligence

In this work, we study $\gamma$-discounted infinite-horizon tabular Markov decision processes (MDPs) and introduce a framework called dynamic policy gradient (DynPG). The framework directly integrates dynamic programming with (any) policy gradient method, explicitly leveraging the Markovian property of the environment. DynPG dynamically adjusts the problem horizon during training, decomposing the original infinite-horizon MDP into a sequence of contextual bandit problems. By iteratively solving these contextual bandits, DynPG converges to the stationary optimal policy of the infinite-horizon MDP. To demonstrate the power of DynPG, we establish its non-asymptotic global convergence rate under the tabular softmax parametrization, focusing on the dependencies on salient but essential parameters of the MDP. By combining classical arguments from dynamic programming with more recent convergence arguments of policy gradient schemes, we prove that softmax DynPG scales polynomially in the effective horizon $(1-\gamma)^{-1}$. Our findings contrast recent exponential lower bound examples for vanilla policy gradient.


Learning in Budgeted Auctions with Spacing Objectives

arXiv.org Artificial Intelligence

In many repeated auction settings, participants care not only about how frequently they win but also how their winnings are distributed over time. This problem arises in various practical domains where avoiding congested demand is crucial, such as online retail sales and compute services, as well as in advertising campaigns that require sustained visibility over time. We introduce a simple model of this phenomenon, modeling it as a budgeted auction where the value of a win is a concave function of the time since the last win. This implies that for a given number of wins, even spacing over time is optimal. We also extend our model and results to the case when not all wins result in "conversions" (realization of actual gains), and the probability of conversion depends on a context. The goal is to maximize and evenly space conversions rather than just wins. We study the optimal policies for this setting in second-price auctions and offer learning algorithms for the bidders that achieve low regret against the optimal bidding policy in a Bayesian online setting. Our main result is a computationally efficient online learning algorithm that achieves $\tilde O(\sqrt T)$ regret. We achieve this by showing that an infinite-horizon Markov decision process (MDP) with the budget constraint in expectation is essentially equivalent to our problem, even when limiting that MDP to a very small number of states. The algorithm achieves low regret by learning a bidding policy that chooses bids as a function of the context and the system's state, which will be the time elapsed since the last win (or conversion). We show that state-independent strategies incur linear regret even without uncertainty of conversions. We complement this by showing that there are state-independent strategies that, while still having linear regret, achieve a $(1-\frac 1 e)$ approximation to the optimal reward.


Learn to Solve Vehicle Routing Problems ASAP: A Neural Optimization Approach for Time-Constrained Vehicle Routing Problems with Finite Vehicle Fleet

arXiv.org Artificial Intelligence

Finding a feasible and prompt solution to the Vehicle Routing Problem (VRP) is a prerequisite for efficient freight transportation, seamless logistics, and sustainable mobility. Traditional optimization methods reach their limits when confronted with the real-world complexity of VRPs, which involve numerous constraints and objectives. Recently, the ability of generative Artificial Intelligence (AI) to solve combinatorial tasks, known as Neural Combinatorial Optimization (NCO), demonstrated promising results, offering new perspectives. In this study, we propose an NCO approach to solve a time-constrained capacitated VRP with a finite vehicle fleet size. The approach is based on an encoder-decoder architecture, formulated in line with the Policy Optimization with Multiple Optima (POMO) protocol and trained via a Proximal Policy Optimization (PPO) algorithm. We successfully trained the policy with multiple objectives (minimizing the total distance while maximizing vehicle utilization) and evaluated it on medium and large instances, benchmarking it against state-of-the-art heuristics. The method is able to find adequate and cost-efficient solutions, showing both flexibility and robust generalization. Finally, we provide a critical analysis of the solution generated by NCO and discuss the challenges and opportunities of this new branch of intelligent learning algorithms emerging in optimization science, focusing on freight transportation.


Pareto Set Identification With Posterior Sampling

arXiv.org Machine Learning

The problem of identifying the best answer among a collection of items having real-valued distribution is well-understood. Despite its practical relevance for many applications, fewer works have studied its extension when multiple and potentially conflicting metrics are available to assess an item's quality. Pareto set identification (PSI) aims to identify the set of answers whose means are not uniformly worse than another. This paper studies PSI in the transductive linear setting with potentially correlated objectives. Building on posterior sampling in both the stopping and the sampling rules, we propose the PSIPS algorithm that deals simultaneously with structure and correlation without paying the computational cost of existing oracle-based algorithms. Both from a frequentist and Bayesian perspective, PSIPS is asymptotically optimal. We demonstrate its good empirical performance in real-world and synthetic instances.


Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory

arXiv.org Artificial Intelligence

We present a novel approach to address the challenges of variable occupation numbers in direct optimization of density functional theory (DFT). By parameterizing both the eigenfunctions and the occupation matrix, our method minimizes the free energy with respect to these parameters. As the stationary conditions require the occupation matrix and the Kohn-Sham Hamiltonian to be simultaneously diagonalizable, this leads to the concept of ``self-diagonalization,'' where, by assuming a diagonal occupation matrix without loss of generality, the Hamiltonian matrix naturally becomes diagonal at stationary points. Our method incorporates physical constraints on both the eigenfunctions and the occupations into the parameterization, transforming the constrained optimization into an fully differentiable unconstrained problem, which is solvable via gradient descent. Implemented in JAX, our method was tested on aluminum and silicon, confirming that it achieves efficient self-diagonalization, produces the correct Fermi-Dirac distribution of the occupation numbers and yields band structures consistent with those obtained with SCF methods in Quantum Espresso.


Rescheduling after vehicle failures in the multi-depot rural postman problem with rechargeable and reusable vehicles

arXiv.org Artificial Intelligence

We present a centralized auction algorithm to solve the Multi-Depot Rural Postman Problem with Rechargeable and Reusable Vehicles (MD-RPP-RRV), focusing on rescheduling arc routing after vehicle failures. The problem involves finding heuristically obtained best feasible routes for multiple rechargeable and reusable vehicles with capacity constraints capable of performing multiple trips from multiple depots, with the possibility of vehicle failures. Our algorithm auctions the failed trips to active (non-failed) vehicles through local auctioning, modifying initial routes to handle dynamic vehicle failures efficiently. When a failure occurs, the algorithm searches for the best active vehicle to perform the failed trip and inserts the trip into that vehicle's route, which avoids a complete rescheduling and reduces the computational effort. We compare the algorithm's solutions against offline optimal solutions obtained from solving a Mixed Integer Linear Programming (MILP) formulation using the Gurobi solver; this formulation assumes that perfect information about the vehicle failures and failure times is given. The results demonstrate that the centralized auction algorithm produces solutions that are, in some cases, near optimal; moreover, the execution time for the proposed approach is much more consistent and is, for some instances, orders of magnitude less than the execution time of the Gurobi solver. The theoretical analysis provides an upper bound for the competitive ratio and computational complexity of our algorithm, offering a formal performance guarantee in dynamic failure scenarios.


Continuous-Time State Estimation Methods in Robotics: A Survey

arXiv.org Artificial Intelligence

Accurate, efficient, and robust state estimation is more important than ever in robotics as the variety of platforms and complexity of tasks continue to grow. Historically, discrete-time filters and smoothers have been the dominant approach, in which the estimated variables are states at discrete sample times. The paradigm of continuous-time state estimation proposes an alternative strategy by estimating variables that express the state as a continuous function of time, which can be evaluated at any query time. Not only can this benefit downstream tasks such as planning and control, but it also significantly increases estimator performance and flexibility, as well as reduces sensor preprocessing and interfacing complexity. Despite this, continuous-time methods remain underutilized, potentially because they are less well-known within robotics. To remedy this, this work presents a unifying formulation of these methods and the most exhaustive literature review to date, systematically categorizing prior work by methodology, application, state variables, historical context, and theoretical contribution to the field. By surveying splines and Gaussian processes together and contextualizing works from other research domains, this work identifies and analyzes open problems in continuous-time state estimation and suggests new research directions.


Biomechanics-Aware Trajectory Optimization for Navigation during Robotic Physiotherapy

arXiv.org Artificial Intelligence

Robotic devices hold promise for aiding patients in orthopedic rehabilitation. However, current robotic-assisted physiotherapy methods struggle including biomechanical metrics in their control algorithms, crucial for safe and effective therapy. This paper introduces BATON, a Biomechanics-Aware Trajectory Optimization approach to robotic Navigation of human musculoskeletal loads. The method integrates a high-fidelity musculoskeletal model of the human shoulder into real-time control of robot-patient interaction during rotator cuff tendon rehabilitation. We extract skeletal dynamics and tendon loading information from an OpenSim shoulder model to solve an optimal control problem, generating strain-minimizing trajectories. Trajectories were realized on a healthy subject by an impedance-controlled robot while estimating the state of the subject's shoulder. Target poses were prescribed to design personalized rehabilitation across a wide range of shoulder motion avoiding high-strain areas. BATON was designed with real-time capabilities, enabling continuous trajectory replanning to address unforeseen variations in tendon strain, such as those from changing muscle activation of the subject.


Adaptive Consensus Gradients Aggregation for Scaled Distributed Training

arXiv.org Artificial Intelligence

Distributed machine learning has recently become a critical paradigm for training large models on vast datasets. We examine the stochastic optimization problem for deep learning within synchronous parallel computing environments under communication constraints. While averaging distributed gradients is the most widely used method for gradient estimation, whether this is the optimal strategy remains an open question. In this work, we analyze the distributed gradient aggregation process through the lens of subspace optimization. By formulating the aggregation problem as an objective-aware subspace optimization problem, we derive an efficient weighting scheme for gradients, guided by subspace coefficients. We further introduce subspace momentum to accelerate convergence while maintaining statistical unbiasedness in the aggregation. Our method demonstrates improved performance over the ubiquitous gradient averaging on multiple MLPerf tasks while remaining extremely efficient in both communicational and computational complexity.


$B^4$: A Black-Box Scrubbing Attack on LLM Watermarks

arXiv.org Artificial Intelligence

Watermarking has emerged as a prominent technique for LLM-generated content detection by embedding imperceptible patterns. Despite supreme performance, its robustness against adversarial attacks remains underexplored. Previous work typically considers a grey-box attack setting, where the specific type of watermark is already known. Some even necessitates knowledge about hyperparameters of the watermarking method. Such prerequisites are unattainable in real-world scenarios. Targeting at a more realistic black-box threat model with fewer assumptions, we here propose $B^4$, a black-box scrubbing attack on watermarks. Specifically, we formulate the watermark scrubbing attack as a constrained optimization problem by capturing its objectives with two distributions, a Watermark Distribution and a Fidelity Distribution. This optimization problem can be approximately solved using two proxy distributions. Experimental results across 12 different settings demonstrate the superior performance of $B^4$ compared with other baselines.