Accurate simulations of oil spill trajectories are essential for supporting practitioners' response and mitigating environmental and socioeconomic impacts. Numerical models, such as MEDSLIK-II, simulate advection, dispersion, and transformation processes of oil particles. However, simulations heavily rely on accurate parameter tuning, still based on expert knowledge and manual calibration. To overcome these limitations, we integrate the MEDSLIK-II numerical oil spill model with a Bayesian optimization framework to iteratively estimate the best physical parameter configuration that yields simulation closer to satellite observations of the slick. We focus on key parameters, such as horizontal diffusivity and drift factor, maximizing the Fraction Skill Score (FSS) as a measure of spatio-temporal overlap between simulated and observed oil distributions. We validate the framework for the Baniyas oil incident that occurred in Syria between August 23 and September 4, 2021, which released over 12,000 $m^3$ of oil. We show that, on average, the proposed approach systematically improves the FSS from 5.82% to 11.07% compared to control simulations initialized with default parameters. The optimization results in consistent improvement across multiple time steps, particularly during periods of increased drift variability, demonstrating the robustness of our method in dynamic environmental conditions.

We propose an integrated planning framework for quadrupedal locomotion over dynamically changing, unforeseen terrains. Existing approaches either rely on heuristics for instantaneous foothold selection--compromising safety and versatility--or solve expensive trajectory optimization problems with complex terrain features and long time horizons. In contrast, our framework leverages reactive synthesis to generate correct-by-construction controllers at the symbolic level, and mixed-integer convex programming (MICP) for dynamic and physically feasible footstep planning for each symbolic transition. We use a high-level manager to reduce the large state space in synthesis by incorporating local environment information, improving synthesis scalability. To handle specifications that cannot be met due to dynamic infeasibility, and to minimize costly MICP solves, we leverage a symbolic repair process to generate only necessary symbolic transitions. During online execution, re-running the MICP with real-world terrain data, along with runtime symbolic repair, bridges the gap between offline synthesis and online execution. We demonstrate, in simulation, our framework's capabilities to discover missing locomotion skills and react promptly in safety-critical environments, such as scattered stepping stones and rebars.

In the data era, the integration of multiple data types, known as multimodality, has become a key area of interest in the research community. This interest is driven by the goal to develop cutting-edge multimodal models capable of serving as adaptable reasoning engines across a wide range of modalities and domains. Despite the fervent development efforts, the challenge of optimally representing different forms of data within a single unified latent space--a crucial step for enabling effective multimodal reasoning--has not been fully addressed. To bridge this gap, we introduce AlignXpert, an optimization algorithm inspired by Kernel CCA crafted to maximize the similarities between N modalities while imposing some other constraints. This work demonstrates the impact on improving data representation for a variety of reasoning tasks, such as retrieval and classification, underlining the pivotal importance of data representation.

In this work, we develop a method for uncertainty quantification in deep operator networks (DeepONets) using predictive uncertainty estimates calibrated to model errors observed during training. The uncertainty framework operates using a single network, in contrast to existing ensemble approaches, and introduces minimal overhead during training and inference. We also introduce an optimized implementation for DeepONet inference (reducing evaluation times by a factor of five) to provide models well-suited for real-time applications. We evaluate the uncertainty-equipped models on a series of partial differential equation (PDE) problems, and show that the model predictions are unbiased, non-skewed, and accurately reproduce solutions to the PDEs. To assess how well the models generalize, we evaluate the network predictions and uncertainty estimates on in-distribution and out-of-distribution test datasets. We find the predictive uncertainties accurately reflect the observed model errors over a range of problems with varying complexity; simpler out-of-distribution examples are assigned low uncertainty estimates, consistent with the observed errors, while more complex out-of-distribution examples are properly assigned higher uncertainties. We also provide a statistical analysis of the predictive uncertainties and verify that these estimates are well-aligned with the observed error distributions at the tail-end of training. Finally, we demonstrate how predictive uncertainties can be used within an active learning framework to yield improvements in accuracy and data-efficiency for outer-loop optimization procedures.

Backward error analysis allows finding a modified loss function, which the parameter updates really follow under the influence of an optimization method. The additional loss terms included in this modified function is called implicit regularizer. In this paper, we attempt to find the implicit regularizer for various federated learning algorithms on non-IID data distribution, and explain why each method shows different convergence behavior. We first show that the implicit regularizer of FedAvg disperses the gradient of each client from the average gradient, thus increasing the gradient variance. We also empirically show that the implicit regularizer hampers its convergence. Similarly, we compute the implicit regularizers of FedSAM and SCAFFOLD, and explain why they converge better. While existing convergence analyses focus on pointing out the advantages of FedSAM and SCAFFOLD, our approach can explain their limitations in complex non-convex settings. In specific, we demonstrate that FedSAM can partially remove the bias in the first-order term of the implicit regularizer in FedAvg, whereas SCAFFOLD can fully eliminate the bias in the first-order term, but not in the second-order term. Consequently, the implicit regularizer can provide a useful insight on the convergence behavior of federated learning from a different theoretical perspective.

We explore the innovative use of MLP-Mixer models for real-time jet tagging and establish their feasibility on resource-constrained hardware like FPGAs. MLP-Mixers excel in processing sequences of jet constituents, achieving state-of-the-art performance on datasets mimicking Large Hadron Collider conditions. By using advanced optimization techniques such as High-Granularity Quantization and Distributed Arithmetic, we achieve unprecedented efficiency. These models match or surpass the accuracy of previous architectures, reduce hardware resource usage by up to 97%, double the throughput, and half the latency. Additionally, non-permutation-invariant architectures enable smart feature prioritization and efficient FPGA deployment, setting a new benchmark for machine learning in real-time data processing at particle colliders.

Optimal transport (OT) has enjoyed great success in machine-learning as a principled way to align datasets via a least-cost correspondence. This success was driven in large part by the runtime efficiency of the Sinkhorn algorithm [Cuturi 2013], which computes a coupling between points from two datasets. However, Sinkhorn has quadratic space complexity in the number of points, limiting the scalability to larger datasets. Low-rank OT achieves linear-space complexity, but by definition, cannot compute a one-to-one correspondence between points. When the optimal transport problem is an assignment problem between datasets then the optimal mapping, known as the Monge map, is guaranteed to be a bijection. In this setting, we show that the factors of an optimal low-rank coupling co-cluster each point with its image under the Monge map. We leverage this invariant to derive an algorithm, Hierarchical Refinement (HiRef), that dynamically constructs a multiscale partition of a dataset using low-rank OT subproblems, culminating in a bijective coupling. Hierarchical Refinement uses linear space and has log-linear runtime, retaining the space advantage of low-rank OT while overcoming its limited resolution. We demonstrate the advantages of Hierarchical Refinement on several datasets, including ones containing over a million points, scaling full-rank OT to problems previously beyond Sinkhorn's reach.

We study non-linear bandit optimization where the learner maximizes a black-box function with zeroth order function oracle, which has been successfully applied in many critical applications such as drug discovery and hyperparameter tuning. Existing works have showed that with the aid of quantum computing, it is possible to break the $\Omega(\sqrt{T})$ regret lower bound in classical settings and achieve the new $O(\mathrm{poly}\log T)$ upper bound. However, they usually assume that the objective function sits within the reproducing kernel Hilbert space and their algorithms suffer from the curse of dimensionality. In this paper, we propose the new Q-NLB-UCB algorithm which uses the novel parametric function approximation technique and enjoys performance improvement due to quantum fast-forward and quantum Monte Carlo mean estimation. We prove that the regret bound of Q-NLB-UCB is not only $O(\mathrm{poly}\log T)$ but also input dimension-free, making it applicable for high-dimensional tasks. At the heart of our analyses are a new quantum regression oracle and a careful construction of parameter uncertainty region. Our algorithm is also validated for its efficiency on both synthetic and real-world tasks.

Deep Reinforcement Learning (DRL) is a key machine learning technology driving progress across various scientific and engineering fields, including wireless communication. However, its limited interpretability and generalizability remain major challenges. In supervised learning, generalizability is commonly evaluated through the generalization error using information-theoretic methods. In DRL, the training data is sequential and not independent and identically distributed (i.i.d.), rendering traditional information-theoretic methods unsuitable for generalizability analysis. To address this challenge, this paper proposes a novel analytical method for evaluating the generalizability of DRL. Specifically, we first model the evolution of states and actions in trained DRL algorithms as unknown discrete, stochastic, and nonlinear dynamical functions. Then, we employ a data-driven identification method, the Koopman operator, to approximate these functions, and propose two interpretable representations. Based on these interpretable representations, we develop a rigorous mathematical approach to evaluate the generalizability of DRL algorithms. This approach is formulated using the spectral feature analysis of the Koopman operator, leveraging the H_\infty norm. Finally, we apply this generalization analysis to compare the soft actor-critic method, widely recognized as a robust DRL approach, against the proximal policy optimization algorithm for an unmanned aerial vehicle-assisted mmWave wireless communication scenario.

Autonomous navigation is reshaping various domains in people's life by enabling efficient and safe movement in complex environments. Reliable navigation requires algorithmic approaches that compute optimal or near-optimal trajectories while satisfying task-specific constraints and ensuring obstacle avoidance. However, existing methods struggle with slow convergence and suboptimal solutions, particularly in complex environments, limiting their real-world applicability. To address these limitations, this paper presents the Multi-Strategy Enhanced Crayfish Optimization Algorithm (MCOA), a novel approach integrating three key strategies: 1) Refractive Opposition Learning, enhancing population diversity and global exploration, 2) Stochastic Centroid-Guided Exploration, balancing global and local search to prevent premature convergence, and 3) Adaptive Competition-Based Selection, dynamically adjusting selection pressure for faster convergence and improved solution quality. Empirical evaluations underscore the remarkable planning speed and the amazing solution quality of MCOA in both 3D Unmanned Aerial Vehicle (UAV) and 2D mobile robot path planning. Against 11 baseline algorithms, MCOA achieved a 69.2% reduction in computational time and a 16.7% improvement in minimizing overall path cost in 3D UAV scenarios. Furthermore, in 2D path planning, MCOA outperformed baseline approaches by 44% on average, with an impressive 75.6% advantage in the largest 60*60 grid setting. These findings validate MCOA as a powerful tool for optimizing autonomous navigation in complex environments. The source code is available at: https://github.com/coedv-hub/MCOA.