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 Optimization


A Deferred Proofs

Neural Information Processing Systems

We first prove the second part of the Theorem. Now, we will prove the first part of the Theorem. The proof is by induction. The following auxiliary proposition is crucial to prove the theorem. A for the first attribute.




From Fold to Function: Dynamic Modeling and Simulation-Driven Design of Origami Mechanisms

arXiv.org Artificial Intelligence

Origami-inspired mechanisms can transform flat sheets into functional three-dimensional dynamic structures that are lightweight, compact, and capable of complex motion. These properties make origami increasingly valuable in robotic and deployable systems. However, accurately simulating their folding behavior and interactions with the environment remains challenging. To address this, we present a design framework for origami mechanism simulation that utilizes MuJoCo's deformable-body capabilities. In our approach, origami sheets are represented as graphs of interconnected deformable elements with user-specified constraints such as creases and actuation, defined through an intuitive graphical user interface (GUI). This framework allows users to generate physically consistent simulations that capture both the geometric structure of origami mechanisms and their interactions with external objects and surfaces. We demonstrate our method's utility through a case study on an origami catapult, where design parameters are optimized in simulation using the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) and validated experimentally on physical prototypes. The optimized structure achieves improved throwing performance, illustrating how our system enables rapid, simulation-driven origami design, optimization, and analysis.


Global Solutions to Non-Convex Functional Constrained Problems with Hidden Convexity

arXiv.org Artificial Intelligence

Constrained non-convex optimization is fundamentally challenging, as global solutions are generally intractable and constraint qualifications may not hold. However, in many applications, including safe policy optimization in control and reinforcement learning, such problems possess hidden convexity, meaning they can be reformulated as convex programs via a nonlinear invertible transformation. Typically such transformations are implicit or unknown, making the direct link with the convex program impossible. On the other hand, (sub-)gradients with respect to the original variables are often accessible or can be easily estimated, which motivates algorithms that operate directly in the original (non-convex) problem space using standard (sub-)gradient oracles. In this work, we develop the first algorithms to provably solve such non-convex problems to global minima. First, using a modified inexact proximal point method, we establish global last-iterate convergence guarantees with $\widetilde{\mathcal{O}}(\varepsilon^{-3})$ oracle complexity in non-smooth setting. For smooth problems, we propose a new bundle-level type method based on linearly constrained quadratic subproblems, improving the oracle complexity to $\widetilde{\mathcal{O}}(\varepsilon^{-1})$. Surprisingly, despite non-convexity, our methodology does not require any constraint qualifications, can handle hidden convex equality constraints, and achieves complexities matching those for solving unconstrained hidden convex optimization.


Enhancing Kernel Power K-means: Scalable and Robust Clustering with Random Fourier Features and Possibilistic Method

arXiv.org Artificial Intelligence

Kernel power $k$-means (KPKM) leverages a family of means to mitigate local minima issues in kernel $k$-means. However, KPKM faces two key limitations: (1) the computational burden of the full kernel matrix restricts its use on extensive data, and (2) the lack of authentic centroid-sample assignment learning reduces its noise robustness. To overcome these challenges, we propose RFF-KPKM, introducing the first approximation theory for applying random Fourier features (RFF) to KPKM. RFF-KPKM employs RFF to generate efficient, low-dimensional feature maps, bypassing the need for the whole kernel matrix. Crucially, we are the first to establish strong theoretical guarantees for this combination: (1) an excess risk bound of $\mathcal{O}(\sqrt{k^3/n})$, (2) strong consistency with membership values, and (3) a $(1+\varepsilon)$ relative error bound achievable using the RFF of dimension $\mathrm{poly}(\varepsilon^{-1}\log k)$. Furthermore, to improve robustness and the ability to learn multiple kernels, we propose IP-RFF-MKPKM, an improved possibilistic RFF-based multiple kernel power $k$-means. IP-RFF-MKPKM ensures the scalability of MKPKM via RFF and refines cluster assignments by combining the merits of the possibilistic membership and fuzzy membership. Experiments on large-scale datasets demonstrate the superior efficiency and clustering accuracy of the proposed methods compared to the state-of-the-art alternatives.


MATAI: A Generalist Machine Learning Framework for Property Prediction and Inverse Design of Advanced Alloys

arXiv.org Artificial Intelligence

I n light of this, we introduce MA TAI, a generalist ML framework for alloy property prediction and inverse design. Unlike task - specific models, MA TAI integrate s domain knowledge from diverse alloy systems and support s multi - objective, constraint - aware optimization across broad compositional spaces . The framework consists of four core components: 1) a holistic alloy database containing over 10,000 experimentally verified compositions, aggregated from open databases, literature, and in - house experiments; 2) foundational property predictor s capable of estimating multiple alloy properties such as density, yield strength (YS), ultimate tensile s trength (UTS), and elongation directly from alloy compositions; 3) a generalist alloy designer that performs constrained optimization over multiple objectives, enabling the discovery of promising alloy candidates without exhaustive searches; and 4) an iterative AI - experiment feedback loop that continuously refines the model through experimental validation of AI - generated candidates . To demonstrate the effectiveness and robustness of MA TAI, we apply the framework to the titanium (Ti) - based alloys, a canonical aerospace alloy system valued for its low density with high strength . Using MA TAI, we identifi ed novel compositions that achieve high strength (>1000 MPa) and moderate elongation (>5%) while retaining a low density (< 4.45 g/cm


dHPR: A Distributed Halpern Peaceman--Rachford Method for Non-smooth Distributed Optimization Problems

arXiv.org Artificial Intelligence

This paper introduces the distributed Halpern Peaceman--Rachford (dHPR) method, an efficient algorithm for solving distributed convex composite optimization problems with non-smooth objectives, which achieves a non-ergodic $O(1/k)$ iteration complexity regarding Karush--Kuhn--Tucker residual. By leveraging the symmetric Gauss--Seidel decomposition, the dHPR effectively decouples the linear operators in the objective functions and consensus constraints while maintaining parallelizability and avoiding additional large proximal terms, leading to a decentralized implementation with provably fast convergence. The superior performance of dHPR is demonstrated through comprehensive numerical experiments on distributed LASSO, group LASSO, and $L_1$-regularized logistic regression problems.


A General Anchor-Based Framework for Scalable Fair Clustering

arXiv.org Artificial Intelligence

Fair clustering is crucial for mitigating bias in unsupervised learning, yet existing algorithms often suffer from quadratic or super-quadratic computational complexity, rendering them impractical for large-scale datasets. To bridge this gap, we introduce the Anchor-based Fair Clustering Framework (AFCF), a novel, general, and plug-and-play framework that empowers arbitrary fair clustering algorithms with linear-time scalability. Our approach first selects a small but representative set of anchors using a novel fair sampling strategy. Then, any off-the-shelf fair clustering algorithm can be applied to this small anchor set. The core of our framework lies in a novel anchor graph construction module, where we formulate an optimization problem to propagate labels while preserving fairness. This is achieved through a carefully designed group-label joint constraint, which we prove theoretically ensures that the fairness of the final clustering on the entire dataset matches that of the anchor clustering. We solve this optimization efficiently using an ADMM-based algorithm. Extensive experiments on multiple large-scale benchmarks demonstrate that AFCF drastically accelerates state-of-the-art methods, which reduces computational time by orders of magnitude while maintaining strong clustering performance and fairness guarantees.


Brian Intensify: An Adaptive Machine Learning Framework for Auditory EEG Stimulation and Cognitive Enhancement in FXS

arXiv.org Artificial Intelligence

Neurodevelopmental disorders such as Fragile X Syndrome (FXS) and Autism Spectrum Disorder (ASD) are characterized by disrupted cortical oscillatory activity, particularly in the alpha and gamma frequency bands. These abnormalities are linked to deficits in attention, sensory processing, and cognitive function. In this work, we present an adaptive machine learning-based brain-computer interface (BCI) system designed to modulate neural oscillations through frequency-specific auditory stimulation to enhance cognitive readiness in individuals with FXS. EEG data were recorded from 38 participants using a 128-channel system under a stimulation paradigm consisting of a 30-second baseline (no stimulus) followed by 60-second auditory entrainment episodes at 7Hz, 9Hz, 11Hz, and 13Hz. A comprehensive analysis of power spectral features (Alpha, Gamma, Delta, Theta, Beta) and cross-frequency coupling metrics (Alpha-Gamma, Alpha-Beta, etc.) was conducted. The results identified Peak Alpha Power, Peak Gamma Power, and Alpha Power per second per channel as the most discriminative biomarkers. The 13Hz stimulation condition consistently elicited a significant increase in Alpha activity and suppression of Gamma activity, aligning with our optimization objective. A supervised machine learning framework was developed to predict EEG responses and dynamically adjust stimulation parameters, enabling real-time, subject-specific adaptation. This work establishes a novel EEG-driven optimization framework for cognitive neuromodulation, providing a foundational model for next-generation AI-integrated BCI systems aimed at personalized neurorehabilitation in FXS and related disorders.