Optimization
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.
MORSE: Multi-Objective Reinforcement Learning via Strategy Evolution for Supply Chain Optimization
Kotecha, Niki, Chanona, Ehecatl Antonio del Rio
In supply chain management, decision-making often involves balancing multiple conflicting objectives, such as cost reduction, service level improvement, and environmental sustainability. Traditional multi-objective optimization methods, such as linear programming and evolutionary algorithms, struggle to adapt in real-time to the dynamic nature of supply chains. In this paper, we propose an approach that combines Reinforcement Learning (RL) and Multi-Objective Evolutionary Algorithms (MOEAs) to address these challenges for dynamic multi-objective optimization under uncertainty. Our method leverages MOEAs to search the parameter space of policy neural networks, generating a Pareto front of policies. This provides decision-makers with a diverse population of policies that can be dynamically switched based on the current system objectives, ensuring flexibility and adaptability in real-time decision-making. We also introduce Conditional Value-at-Risk (CVaR) to incorporate risk-sensitive decision-making, enhancing resilience in uncertain environments. We demonstrate the effectiveness of our approach through case studies, showcasing its ability to respond to supply chain dynamics and outperforming state-of-the-art methods in an inventory management case study. The proposed strategy not only improves decision-making efficiency but also offers a more robust framework for managing uncertainty and optimizing performance in supply chains.
Graph Neural Networks for Resource Allocation in Interference-limited Multi-Channel Wireless Networks with QoS Constraints
Chen, Lili, She, Changyang, Zhu, Jingge, Evans, Jamie
Meeting minimum data rate constraints is a significant challenge in wireless communication systems, particularly as network complexity grows. Traditional deep learning approaches often address these constraints by incorporating penalty terms into the loss function and tuning hyperparameters empirically. However, this heuristic treatment offers no theoretical convergence guarantees and frequently fails to satisfy QoS requirements in practical scenarios. Building upon the structure of the WMMSE algorithm, we first extend it to a multi-channel setting with QoS constraints, resulting in the enhanced WMMSE (eWMMSE) algorithm, which is provably convergent to a locally optimal solution when the problem is feasible. To further reduce computational complexity and improve scalability, we develop a GNN-based algorithm, JCPGNN-M, capable of supporting simultaneous multi-channel allocation per user. To overcome the limitations of traditional deep learning methods, we propose a principled framework that integrates GNN with a Lagrangian-based primal-dual optimization method. By training the GNN within the Lagrangian framework, we ensure satisfaction of QoS constraints and convergence to a stationary point. Extensive simulations demonstrate that JCPGNN-M matches the performance of eWMMSE while offering significant gains in inference speed, generalization to larger networks, and robustness under imperfect channel state information. This work presents a scalable and theoretically grounded solution for constrained resource allocation in future wireless networks.
DCReg: Decoupled Characterization for Efficient Degenerate LiDAR Registration
Hu, Xiangcheng, Chen, Xieyuanli, Jia, Mingkai, Wu, Jin, Tan, Ping, Waslander, Steven L.
LiDAR point cloud registration is fundamental to robotic perception and navigation. However, in geometrically degenerate or narrow environments, registration problems become ill-conditioned, leading to unstable solutions and degraded accuracy. While existing approaches attempt to handle these issues, they fail to address the core challenge: accurately detection, interpret, and resolve this ill-conditioning, leading to missed detections or corrupted solutions. In this study, we introduce DCReg, a principled framework that systematically addresses the ill-conditioned registration problems through three integrated innovations. First, DCReg achieves reliable ill-conditioning detection by employing a Schur complement decomposition to the hessian matrix. This technique decouples the registration problem into clean rotational and translational subspaces, eliminating coupling effects that mask degeneracy patterns in conventional analyses. Second, within these cleanly subspaces, we develop quantitative characterization techniques that establish explicit mappings between mathematical eigenspaces and physical motion directions, providing actionable insights about which specific motions lack constraints. Finally, leveraging this clean subspace, we design a targeted mitigation strategy: a novel preconditioner that selectively stabilizes only the identified ill-conditioned directions while preserving all well-constrained information in observable space. This enables efficient and robust optimization via the Preconditioned Conjugate Gradient method with a single physical interpretable parameter. Extensive experiments demonstrate DCReg achieves at least 20% - 50% improvement in localization accuracy and 5-100 times speedup over state-of-the-art methods across diverse environments. Our implementation will be available at https://github.com/JokerJohn/DCReg.
Programming tension in 3D printed networks inspired by spiderwebs
Masmeijer, Thijs, Swain, Caleb, Hill, Jeff, Habtour, Ed
Each element in tensioned structural networks -- such as tensegrity, architectural fabrics, or medical braces/meshes -- requires a specific tension level to achieve and maintain the desired shape, stability, and compliance. These structures are challenging to manufacture, 3D print, or assemble because flattening the network during fabrication introduces multiplicative inaccuracies in the network's final tension gradients. This study overcomes this challenge by offering a fabrication algorithm for direct 3D printing of such networks with programmed tension gradients, an approach analogous to the spinning of spiderwebs. The algorithm: (i) defines the desired network and prescribes its tension gradients using the force density method; (ii) converts the network into an unstretched counterpart by numerically optimizing vertex locations toward target element lengths and converting straight elements into arcs to resolve any remaining error; and (iii) decomposes the network into printable toolpaths; Optional additional steps are: (iv) flattening curved 2D networks or 3D networks to ensure 3D printing compatibility; and (v) automatically resolving any unwanted crossings introduced by the flattening process. The proposed method is experimentally validated using 2D unit cells of viscoelastic filaments, where accurate tension gradients are achieved with an average element strain error of less than 1.0\%. The method remains effective for networks with element minimum length and maximum stress of 5.8 mm and 7.3 MPa, respectively. The method is used to demonstrate the fabrication of three complex cases: a flat spiderweb, a curved mesh, and a tensegrity system. The programmable tension gradient algorithm can be utilized to produce compact, integrated cable networks, enabling novel applications such as moment-exerting structures in medical braces and splints.
Simple Optimizers for Convex Aligned Multi-Objective Optimization
Kretzu, Ben, Ullrich, Karen, Efroni, Yonathan
It is widely recognized in modern machine learning practice that access to a diverse set of tasks can enhance performance across those tasks. This observation suggests that, unlike in general multi-objective optimization, the objectives in many real-world settings may not be inherently conflicting. To address this, prior work introduced the Aligned Multi-Objective Optimization (AMOO) framework and proposed gradient-based algorithms with provable convergence guarantees. However, existing analysis relies on strong assumptions, particularly strong convexity, which implies the existence of a unique optimal solution. In this work, we relax this assumption and study gradient-descent algorithms for convex AMOO under standard smoothness or Lipschitz continuity conditions-assumptions more consistent with those used in deep learning practice. This generalization requires new analytical tools and metrics to characterize convergence in the convex AMOO setting. We develop such tools, propose scalable algorithms for convex AMOO, and establish their convergence guarantees. Additionally, we prove a novel lower bound that demonstrates the suboptimality of naive equal-weight approaches compared to our methods.