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In this work, we investigate the use of data-driven equation discovery for dynamical systems to model and forecast continuous-time dynamics of unconstrained optimization problems. To avoid expensive evaluations of the objective function and…

Optimization and Control · Mathematics 2026-02-19 Grant Norman , Conor Rowan , Kurt Maute , Alireza Doostan

Reconstructing near-wall turbulence from wall-based measurements is a critical yet inherently ill-posed problem in wall-bounded flows, where limited sensing and spatially heterogeneous flow-wall coupling challenge deterministic estimation…

Fluid Dynamics · Physics 2025-04-22 Meet Hemant Parikh , Xiantao Fan , Jian-Xun Wang

Quantifying changes in the probability and magnitude of extreme flooding events is key to mitigating their impacts. While hydrodynamic data are inherently spatially dependent, traditional spatial models such as Gaussian processes are poorly…

Methodology · Statistics 2024-05-06 Reetam Majumder , Brian J. Reich , Benjamin A. Shaby

Boosting is an ensemble method that combines base models in a sequential manner to achieve high predictive accuracy. A popular learning algorithm based on this ensemble method is eXtreme Gradient Boosting (XGB). We present an adaptation of…

Machine Learning · Computer Science 2020-05-18 Jacob Montiel , Rory Mitchell , Eibe Frank , Bernhard Pfahringer , Talel Abdessalem , Albert Bifet

Deep generative models are powerful priors for imaging inverse problems, but training-free solvers for latent flow models face a practical finite-step trade-off. Optimization-heavy methods quickly improve measurement consistency, but in…

Machine Learning · Computer Science 2026-05-13 Jonghyun Park , Jong Chul Ye

Flow matching (FM) learns vector fields by regressing stochastic velocity targets along intermediate distributions $p_t$. We identify a geometric optimization bottleneck in this regression problem: when the covariance $\Sigma_t$ of $p_t$ is…

Machine Learning · Computer Science 2026-05-14 Shadab Ahamed , Eshed Gal , Md Shahriar Rahim Siddiqui , Simon Ghyselincks , Moshe Eliasof , Eldad Haber

We explore a new general-purpose heuristic for finding high-quality solutions to hard optimization problems. The method, called extremal optimization, is inspired by self-organized criticality, a concept introduced to describe emergent…

Statistical Mechanics · Physics 2009-10-31 S. Boettcher , A. G. Percus

Sampling useful three-dimensional molecular structures along with their most favorable conformations is a key challenge in drug discovery. Current state-of-the-art 3D de-novo design flow matching or diffusion-based models are limited to…

Machine Learning · Computer Science 2025-11-24 Riccardo Tedoldi , Ola Engkvist , Patrick Bryant , Hossein Azizpour , Jon Paul Janet , Alessandro Tibo

Turbulent dynamical systems are characterized by nonlinear interactions and stochastic effects that generate coupled statistical quantities, such as non-zero higher-order moments, which are difficult to capture from data with accuracy. We…

Machine Learning · Computer Science 2026-05-12 Xingjian Xu , Di Qi , Chunmei Wang

In recent years, a variety of powerful LLM-based agentic systems have been applied to automate complex tasks through task orchestration. However, existing orchestration methods still face key challenges, including strategy collapse under…

Artificial Intelligence · Computer Science 2026-05-15 Mingda Zhang , Tiesunlong Shen , Haoran Luo , Wenjin Liu , Zikai Xiao , Erik Cambria , Xiaoying Tang

We present FlowDet, the first formulation of object detection using modern Conditional Flow Matching techniques. This work follows from DiffusionDet, which originally framed detection as a generative denoising problem in the bounding box…

Computer Vision and Pattern Recognition · Computer Science 2025-12-19 Enis Baty , C. P. Bridges , Simon Hadfield

Loop transformations are semantics-preserving optimization techniques, widely used to maximize objectives such as parallelism. Despite decades of research, applying the optimal composition of loop transformations remains challenging due to…

Programming Languages · Computer Science 2025-12-19 Yijie Zhi , Yayu Cao , Jianhua Dai , Xiaoyang Han , Jingwen Pu , Qingran Wu , Sheng Cheng , Ming Cai

Additive manufacturing has enabled the fabrication of advanced reactor geometries, permitting larger, more complex design spaces. Identifying promising configurations within such spaces presents a significant challenge for current…

Computational Engineering, Finance, and Science · Computer Science 2024-06-07 Tom Savage , Nausheen Basha , Jonathan McDonough , James Krassowski , Omar K Matar , Ehecatl Antonio del Rio Chanona

We propose Pullback Flow Matching (PFM), a novel framework for generative modeling on data manifolds. Unlike existing methods that assume or learn restrictive closed-form manifold mappings for training Riemannian Flow Matching (RFM) models,…

Machine Learning · Computer Science 2025-07-10 Friso de Kruiff , Erik Bekkers , Ozan Öktem , Carola-Bibiane Schönlieb , Willem Diepeveen

Neuroevolution is one of the methodologies that can be used for learning optimal architecture during training. It uses evolutionary algorithms to generate the topology of artificial neural networks and its parameters. The main benefits are…

Neural and Evolutionary Computing · Computer Science 2022-08-30 M. Pietroń , D. Żurek , K. Faber , R. Corizzo

Generative Flow Networks (GFlowNets) enable structured generation with inherent diversity, but existing sampling strategies often rely on weak guided exploration, slowing early discovery of high-reward candidates. In tasks such as molecular…

Machine Learning · Computer Science 2026-02-03 Rui Zhu , Yudong Zhang , Xuan Yu , Chen Zhang , Xu Wang , Yang Wang

High-fidelity modeling of turbulent flows requires capturing complex spatiotemporal dynamics and multi-scale intermittency, posing a fundamental challenge for traditional knowledge-based systems. While deep generative models, such as…

Machine Learning · Computer Science 2026-04-08 Li Kunpeng , Wan Chenguang , Qu Zhisong , Lim Kyungtak , Virginie Grandgirard , Xavier Garbet , Yu Hua , Ong Yew Soon

Large language models (LLMs) have greatly accelerated the automation of algorithm generation and optimization. However, current methods such as EoH and FunSearch mainly rely on predefined templates and expert-specified functions that focus…

Software Engineering · Computer Science 2025-03-17 Zhe Zhao , Haibin Wen , Pengkun Wang , Ye Wei , Zaixi Zhang , Xi Lin , Fei Liu , Bo An , Hui Xiong , Yang Wang , Qingfu Zhang

Several machine learning frameworks for augmenting turbulence closure models have been recently proposed. However, the generalizability of an augmented turbulence model remains an open question. We investigate this question by…

Fluid Dynamics · Physics 2023-02-22 Ryley McConkey , Eugene Yee , Fue-Sang Lien

This paper aims to explore models based on the extreme gradient boosting (XGBoost) approach for business risk classification. Feature selection (FS) algorithms and hyper-parameter optimizations are simultaneously considered during model…

Machine Learning · Statistics 2019-01-25 Yan Wang , Xuelei Sherry Ni