Optimization
Adaptive Evolutionary Framework for Safe, Efficient, and Cooperative Autonomous Vehicle Interactions
Modern transportation systems face significant challenges in ensuring road safety, given serious injuries caused by road accidents. The rapid growth of autonomous vehicles (AVs) has prompted new traffic designs that aim to optimize interactions among AVs. However, effective interactions between AVs remains challenging due to the absence of centralized control. Besides, there is a need for balancing multiple factors, including passenger demands and overall traffic efficiency. Traditional rule-based, optimization-based, and game-theoretic approaches each have limitations in addressing these challenges. Rule-based methods struggle with adaptability and generalization in complex scenarios, while optimization-based methods often require high computational resources. Game-theoretic approaches, such as Stackelberg and Nash games, suffer from limited adaptability and potential inefficiencies in cooperative settings. This paper proposes an Evolutionary Game Theory (EGT)-based framework for AV interactions that overcomes these limitations by utilizing a decentralized and adaptive strategy evolution mechanism. A causal evaluation module (CEGT) is introduced to optimize the evolutionary rate, balancing mutation and evolution by learning from historical interactions. Simulation results demonstrate the proposed CEGT outperforms EGT and popular benchmark games in terms of lower collision rates, improved safety distances, higher speeds, and overall better performance compared to Nash and Stackelberg games across diverse scenarios and parameter settings.
Reinforcement learning for online hyperparameter tuning in convex quadratic programming
Bertoncini, Jeremy, De Marchi, Alberto, Gerdts, Matthias, Gottschalk, Simon
Quadratic programming is a workhorse of modern nonlinear optimization, control, and data science. Although regularized methods offer convergence guarantees under minimal assumptions on the problem data, they can exhibit the slow tail-convergence typical of first-order schemes, thus requiring many iterations to achieve high-accuracy solutions. Moreover, hyperparameter tuning significantly impacts on the solver performance but how to find an appropriate parameter configuration remains an elusive research question. To address these issues, we explore how data-driven approaches can accelerate the solution process. Aiming at high-accuracy solutions, we focus on a stabilized interior-point solver and carefully handle its two-loop flow and control parameters. We will show that reinforcement learning can make a significant contribution to facilitating the solver tuning and to speeding up the optimization process. Numerical experiments demonstrate that, after a lightweight training, the learned policy generalizes well to different problem classes with varying dimensions and to various solver configurations.
Learning Generalized Hamiltonian Dynamics with Stability from Noisy Trajectory Data
McLennan, Luke, Wang, Yi, Farell, Ryan, Nguyen, Minh, Bajaj, Chandrajit
We introduce a robust framework for learning various generalized Hamiltonian dynamics from noisy, sparse phase-space data and in an unsupervised manner based on variational Bayesian inference. Although conservative, dissipative, and port-Hamiltonian systems might share the same initial total energy of a closed system, it is challenging for a single Hamiltonian network model to capture the distinctive and varying motion dynamics and physics of a phase space, from sampled observational phase space trajectories. To address this complicated Hamiltonian manifold learning challenge, we extend sparse symplectic, random Fourier Gaussian processes learning with predictive successive numerical estimations of the Hamiltonian landscape, using a generalized form of state and conjugate momentum Hamiltonian dynamics, appropriate to different classes of conservative, dissipative and port-Hamiltonian physical systems. In addition to the kernelized evidence lower bound (ELBO) loss for data fidelity, we incorporate stability and conservation constraints as additional hyper-parameter balanced loss terms to regularize the model's multi-gradients, enforcing physics correctness for improved prediction accuracy with bounded uncertainty.
GCond: Gradient Conflict Resolution via Accumulation-based Stabilization for Large-Scale Multi-Task Learning
Limarenko, Evgeny Alves, Studenikina, Anastasiia Alexandrovna
In multi-task learning (MTL), gradient conflict poses a significant challenge. Effective methods for addressing this problem, including PCGrad, CAGrad, and GradNorm, in their original implementations are computationally demanding, which significantly limits their application in modern large models and transformers. We propose Gradient Conductor (GCond), a method that builds upon PCGrad principles by combining them with gradient accumulation and an adaptive arbitration mechanism. We evaluated GCond on self-supervised learning tasks using MobileNetV3-Small and ConvNeXt architectures on the ImageNet 1K dataset and a combined head and neck CT scan dataset, comparing the proposed method against baseline linear combinations and state-of-the-art gradient conflict resolution methods. The stochastic mode of GCond achieved a two-fold computational speedup while maintaining optimization quality, and demonstrated superior performance across all evaluated metrics, achieving lower L1 and SSIM losses compared to other methods on both datasets. GCond exhibited high scalability, being successfully applied to both compact models (MobileNetV3-Small) and large architectures (ConvNeXt-tiny and ConvNeXt-Base). It also showed compatibility with modern optimizers such as AdamW and Lion/LARS. Therefore, GCond offers a scalable and efficient solution to the problem of gradient conflicts in multi-task learning.
Systematic Optimization of Open Source Large Language Models for Mathematical Reasoning
Pawar, Pranav, Jain, Dhwaj, Gupta, Varun, Dedhia, Kaustav, Kale, Dashrath, Dhekane, Sudhir
This paper presents a practical investigation into fine-tuning model parameters for mathematical reasoning tasks through experimenting with various configurations including randomness control, reasoning depth, and sampling strategies, careful tuning demonstrates substantial improvements in efficiency as well as performance. A holistically optimized framework is introduced for five state-of-the-art models on mathematical reasoning tasks, exhibiting significant performance boosts while maintaining solution correctness. Through systematic parameter optimization across Qwen2.5-72B, Llama-3.1-70B, DeepSeek-V3, Mixtral-8x22B, and Yi-Lightning, consistent efficiency gains are demonstrated with 100% optimization success rate. The methodology achieves an average 29.4% reduction in computational cost and 23.9% improvement in inference speed across all tested models. This framework systematically searches parameter spaces including temperature (0.1-0.5), reasoning steps (4-12), planning periods (1-4), and nucleus sampling (0.85-0.98), determining optimal configurations through testing on mathematical reasoning benchmarks. Critical findings show that lower temperature regimes (0.1-0.4) and reduced reasoning steps (4-6) consistently enhance efficiency without compromising accuracy. DeepSeek-V3 achieves the highest accuracy at 98%, while Mixtral-8x22B delivers the most cost-effective performance at 361.5 tokens per accurate response. Key contributions include: (1) the first comprehensive optimization study for five diverse SOTA models in mathematical reasoning, (2) a standardized production-oriented parameter optimization framework, (3) discovery of universal optimization trends applicable across model architectures, and (4) production-ready configurations with extensive performance characterization.
SAM$^{*}$: Task-Adaptive SAM with Physics-Guided Rewards
Barakati, Kamyar, Pratiush, Utkarsh, Sanchez, Sheryl L., Raghavan, Aditya, Milliron, Delia J., Ahmadi, Mahshid, Rack, Philip D., Kalinin, Sergei V.
Image segmentation is a critical task in microscopy, essential for accurately analyzing and interpreting complex visual data. This task can be performed using custom models trained on domain-specific datasets, transfer learning from pre-trained models, or foundational models that offer broad applicability. However, foundational models often present a considerable number of non-transparent tuning parameters that require extensive manual optimization, limiting their usability for real-time streaming data analysis. Here, we introduce a reward function-based optimization to fine-tune foundational models and illustrate this approach for SAM (Segment Anything Model) framework by Meta. The reward functions can be constructed to represent the physics of the imaged system, including particle size distributions, geometries, and other criteria. By integrating a reward-driven optimization framework, we enhance SAM's adaptability and performance, leading to an optimized variant, SAM$^{*}$, that better aligns with the requirements of diverse segmentation tasks and particularly allows for real-time streaming data segmentation. We demonstrate the effectiveness of this approach in microscopy imaging, where precise segmentation is crucial for analyzing cellular structures, material interfaces, and nanoscale features.
A Kriging-HDMR-based surrogate model with sample pool-free active learning strategy for reliability analysis
Li, Wenxiong, Liao, Hanyu, Chen, Suiyin
In reliability engineering, conventional surrogate models encounter the "curse of dimensionality" as the number of random variables increases. While the active learning Kriging surrogate approaches with high-dimensional model representation (HDMR) enable effective approximation of high-dimensional functions and are widely applied to optimization problems, there are rare studies specifically focused on reliability analysis, which prioritizes prediction accuracy in critical regions over uniform accuracy across the entire domain. This study develops an active learning surrogate model method based on the Kriging-HDMR modeling for reliability analysis. The proposed approach facilitates the approximation of high-dimensional limit state functions through a composite representation constructed from multiple low-dimensional sub-surrogate models. The architecture of the surrogate modeling framework comprises three distinct stages: developing single-variable sub-surrogate models for all random variables, identifying the requirements for coupling-variable sub-surrogate models, and constructing the coupling-variable sub-surrogate models. Optimization mathematical models for selection of design of experiment samples are formulated based on each stage's characteristics, with objectives incorporating uncertainty variance, predicted mean, sample location and inter-sample distances. A candidate sample pool-free approach is adopted to achieve the selection of informative samples. Numerical experiments demonstrate that the proposed method achieves high computational efficiency while maintaining strong predictive accuracy in solving high-dimensional reliability problems.
On optimal solutions of classical and sliced Wasserstein GANs with non-Gaussian data
Huang, Yu-Jui, Shen, Hsin-Hua, Huang, Yu-Chih, Lin, Wan-Yi, Lin, Shih-Chun
The generative adversarial network (GAN) aims to approximate an unknown distribution via a parameterized neural network (NN). While GANs have been widely applied in reinforcement and semisupervised learning as well as computer vision tasks, selecting their parameters often needs an exhaustive search and only a few selection methods can be proved to be theoretically optimal. One of the most promising GAN variants is the Wasserstein GAN (WGAN). Prior work on optimal parameters for WGAN is limited to the linear-quadratic-Gaussian (LQG) setting, where the NN is linear and the data is Gaussian. In this paper, we focus on the characterization of optimal WGAN parameters beyond the LQG setting. We derive closed-form optimal parameters for one-dimensional WGANs when the NN has non-linear activation functions and the data is non-Gaussian. To extend this to high-dimensional WGANs, we adopt the sliced Wasserstein framework and replace the constraint on marginal distributions of the randomly projected data by a constraint on the joint distribution of the original (unprojected) data. We show that the linear generator can be asymptotically optimal for sliced WGAN with non-Gaussian data. Empirical studies show that our closed-form WGAN parameters have good convergence behavior with data under both Gaussian and Laplace distributions. Also, compared to the r principal component analysis (r-PCA) solution, our proposed solution for sliced WGAN can achieve the same performance while requiring less computational resources.
Beyond ATE: Multi-Criteria Design for A/B Testing
Li, Jiachun, Shi, Kaining, Simchi-Levi, David
A/B testing is a widely adopted methodology for estimating conditional average treatment effects (CATEs) in both clinical trials and online platforms. While most existing research has focused primarily on maximizing estimation accuracy, practical applications must also account for additional objectives-most notably welfare or revenue loss. In many settings, it is critical to administer treatments that improve patient outcomes or to implement plans that generate greater revenue from customers. Within a machine learning framework, such objectives are naturally captured through the notion of cumulative regret. In this paper, we investigate the fundamental trade-off between social welfare loss and statistical accuracy in (adaptive) experiments with heterogeneous treatment effects. We establish matching upper and lower bounds for the resulting multi-objective optimization problem and employ the concept of Pareto optimality to characterize the necessary and sufficient conditions for optimal experimental designs. Beyond estimating CATEs, practitioners often aim to deploy treatment policies that maximize welfare across the entire population. We demonstrate that our Pareto-optimal adaptive design achieves optimal post-experiment welfare, irrespective of the in-experiment trade-off between accuracy and welfare. Furthermore, since clinical and commercial data are often highly sensitive, it is essential to incorporate robust privacy guarantees into any treatment-allocation mechanism. To this end, we develop differentially private algorithms that continue to achieve our established lower bounds, showing that privacy can be attained at negligible cost.
Cryo-EM as a Stochastic Inverse Problem
Espinosa, Diego Sanchez, Thiede, Erik H, Yang, Yunan
Cryo-electron microscopy (Cryo-EM) enables high-resolution imaging of biomolecules, but structural heterogeneity remains a major challenge in 3D reconstruction. Traditional methods assume a discrete set of conformations, limiting their ability to recover continuous structural variability. In this work, we formulate cryo-EM reconstruction as a stochastic inverse problem (SIP) over probability measures, where the observed images are modeled as the push-forward of an unknown distribution over molecular structures via a random forward operator. We pose the reconstruction problem as the minimization of a variational discrepancy between observed and simulated image distributions, using statistical distances such as the KL divergence and the Maximum Mean Discrepancy. The resulting optimization is performed over the space of probability measures via a Wasserstein gradient flow, which we numerically solve using particles to represent and evolve conformational ensembles. We validate our approach using synthetic examples, including a realistic protein model, which demonstrates its ability to recover continuous distributions over structural states. We analyze the connection between our formulation and Maximum A Posteriori (MAP) approaches, which can be interpreted as instances of the discretize-then-optimize (DTO) framework. We further provide a consistency analysis, establishing conditions under which DTO methods, such as MAP estimation, converge to the solution of the underlying infinite-dimensional continuous problem. Beyond cryo-EM, the framework provides a general methodology for solving SIPs involving random forward operators.