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Large language models (LLMs) have been widely adopted in mathematical optimization in scientific scenarios for their extensive knowledge and advanced reasoning capabilities. Existing methods mainly focus on utilizing LLMs to solve…

LoRA employs lightweight modules to customize large language models (LLMs) for each downstream task or domain, where different learned additional modules represent diverse skills. Combining existing LoRAs to address new tasks can enhance…

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Latent variable models are widely used in social and behavioural sciences, including education, psychology, and political science. With the increasing availability of large and complex datasets, high-dimensional latent variable models have…

In statistics, series of ordinary least squares problems (OLS) are used to study the linear correlation among sets of variables of interest; in many studies, the number of such variables is at least in the millions, and the corresponding…

Local Optima Networks (LONs) represent the global structure of search spaces as graphs, but their construction requires iterative execution of a search algorithm to find local optima and approximate transitions between Basins of Attraction…

A statistical model is a mathematical representation of an often simplified or idealised data-generating process. In this paper, we focus on a particular type of statistical model, called linear mixed models (LMMs), that is widely used in…

Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess the capability for zero-shot optimization across diverse…

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Poaching poses significant threats to wildlife and biodiversity. A valuable step in reducing poaching is to forecast poacher behavior, which can inform patrol planning and other conservation interventions. Existing poaching prediction…

Large language model (LLM)-driven agents are emerging as a powerful new paradigm for solving complex problems. Despite the empirical success of these practices, a theoretical framework to understand and unify their macroscopic dynamics…

Reliably characterizing the full conditional distribution of a multivariate response variable given a set of covariates is crucial for trustworthy decision-making. However, misspecified or miscalibrated multivariate models may yield a poor…

Latent Diffusion Models (LDMs) enable high-quality image synthesis while avoiding excessive compute demands by training a diffusion model in a compressed lower-dimensional latent space. Here, we apply the LDM paradigm to high-resolution…

We study the problem of policy optimization (PO) with linear temporal logic (LTL) constraints. The language of LTL allows flexible description of tasks that may be unnatural to encode as a scalar cost function. We consider LTL-constrained…

Variable selection for high-dimensional, highly correlated data has long been a challenging problem, often yielding unstable and unreliable models. We propose a resample-aggregate framework that exploits diffusion models' ability to…

Generative Adversarial Networks (GAN) is currently widely used as an unsupervised image generation method. Current state-of-the-art GANs can generate photorealistic images with high resolution. However, a large amount of data is required,…

Synthetic tabular data are increasingly being used to replace real data, serving as an effective solution that simultaneously protects privacy and addresses data scarcity. However, in addition to preserving global statistical properties,…

SOAR, a classic symbol-based cognitive architecture, has been fostering the development of general, human-like intelligent agents. Nevertheless, its practical adoption is hindered by the laborious manual rule coding. Emerging Large Language…

ALAMO is a computational methodology for leaning algebraic functions from data. Given a data set, the approach begins by building a low-complexity, linear model composed of explicit non-linear transformations of the independent variables.…

We present a mathematically well founded approach for the synthetic modeling of turbulent flows using generative adversarial networks (GAN). Based on the analysis of chaotic, deterministic systems in terms of ergodicity, we outline a…