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Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation functionals. This creates a fundamental bottleneck: these…

Artificial Intelligence · Computer Science 2026-04-30 Mahule Roy

As deep generative models proliferate across the AI landscape, industrial practitioners still face critical yet unanswered questions about which deep generative models best suit complex manufacturing design tasks. This work addresses this…

Machine Learning · Computer Science 2025-08-27 Fouad Oubari , Raphael Meunier , Rodrigue Décatoire , Mathilde Mougeot

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant…

Machine Learning · Computer Science 2024-08-27 Aneesh Komanduri , Chen Zhao , Feng Chen , Xintao Wu

Turbulence governs the transport of momentum, energy, and scalars in many geophysical and engineering flows. In large-eddy simulations (LES), parameterizing subgrid-scale (SGS) stresses remains a central challenge, as unresolved physical…

Fluid Dynamics · Physics 2025-10-02 Yu Cheng , Tianle Liu

This article addresses the challenge of modeling the amplitude of spatially indexed low frequency fluctuations (ALFF) in resting state functional MRI as a function of cortical structural features and a multi-task coactivation network in the…

Methodology · Statistics 2026-02-09 Yeseul Jeon , Rajarshi Guhaniyogi , Aaron Scheffler

Graph structures offer a versatile framework for representing diverse patterns in nature and complex systems, applicable across domains like molecular chemistry, social networks, and transportation systems. While diffusion models have…

Machine Learning · Computer Science 2024-06-10 Adrien Carrel

Diffusion models are at the vanguard of generative AI research with renowned solutions such as ImageGen by Google Brain and DALL.E 3 by OpenAI. Nevertheless, the potential merits of diffusion models for communication engineering…

Information Theory · Computer Science 2023-11-17 Mehdi Letafati , Samad Ali , Matti Latva-aho

Fast and robust dynamic state estimation (DSE) is essential for accurately capturing the internal dynamic processes of power systems, and it serves as the foundation for reliably implementing real-time dynamic modeling, monitoring, and…

Systems and Control · Electrical Eng. & Systems 2025-01-07 Jianhua Pei , Ping Wang , Jingyu Wang , Dongyuan Shi

This paper studies stable learning methods for generative models that enable high-quality data generation. Noise injection is commonly used to stabilize learning. However, selecting a suitable noise distribution is challenging.…

Machine Learning · Statistics 2024-10-29 Yoshitaka Koike , Takumi Nakagawa , Hiroki Waida , Takafumi Kanamori

Generative AI models have revolutionized various fields by enabling the creation of realistic and diverse data samples. Among these models, diffusion models have emerged as a powerful approach for generating high-quality images, text, and…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 Gaurav Raut , Apoorv Singh

Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and…

Machine Learning · Computer Science 2026-04-03 Hao Zhu , Di Zhou , Donna Slonim

Recent advances in Artificial Intelligence Generated Content (AIGC) have garnered significant interest, accompanied by an increasing need to transmit and compress the vast number of AI-generated images (AIGIs). However, there is a…

Image and Video Processing · Electrical Eng. & Systems 2024-12-18 Ruijie Chen , Qi Mao , Zhengxue Cheng

We propose a latent score-based generative AI framework for learning stochastic, non-local closure models and constitutive laws in nonlinear dynamical systems of computational mechanics. This work addresses a key challenge of modeling…

Machine Learning · Computer Science 2025-06-27 Xinghao Dong , Huchen Yang , Jin-Long Wu

This paper presents PolyDiffuse, a novel structured reconstruction algorithm that transforms visual sensor data into polygonal shapes with Diffusion Models (DM), an emerging machinery amid exploding generative AI, while formulating…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Jiacheng Chen , Ruizhi Deng , Yasutaka Furukawa

Diffusion models (DMs) have emerged as a powerful class of generative AI models, showing remarkable potential in anomaly detection (AD) tasks across various domains, such as cybersecurity, fraud detection, healthcare, and manufacturing. The…

Machine Learning · Computer Science 2025-02-28 Jing Liu , Zhenchao Ma , Zepu Wang , Chenxuanyin Zou , Jiayang Ren , Zehua Wang , Liang Song , Bo Hu , Yang Liu , Victor C. M. Leung

Deep learning is widely applied in computer-aided pathological diagnosis, which alleviates the pathologist workload and provide timely clinical analysis. However, most models generally require large-scale annotated data for training, which…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Zeyu Liu , Tianyi Zhang , Yufang He , Yunlu Feng , Yu Zhao , Guanglei Zhang

This paper introduces a scale-invariant methodology employing \textit{Fractal Geometry} to analyze and explain the nonlinear dynamics of complex connectionist systems. By leveraging architectural self-similarity in Deep Neural Networks…

Neural and Evolutionary Computing · Computer Science 2024-07-16 Ambarish Moharil , Damian Tamburri , Indika Kumara , Willem-Jan Van Den Heuvel , Alireza Azarfar

Generative modeling and clustering are conventionally distinct tasks in machine learning. Variational Autoencoders (VAEs) have been widely explored for their ability to integrate both, providing a framework for generative clustering.…

Computer Vision and Pattern Recognition · Computer Science 2025-10-15 Jorge da Silva Gonçalves , Laura Manduchi , Moritz Vandenhirtz , Julia E. Vogt

Recently, the advent of generative AI technologies has made transformational impacts on our daily lives, yet its application in scientific applications remains in its early stages. Data scarcity is a major, well-known barrier in data-driven…

Machine Learning · Computer Science 2025-01-03 Junhuan Yang , Yuzhou Zhang , Yi Sheng , Youzuo Lin , Lei Yang

Conventional galaxy generation methods rely on semi-analytical models and hydrodynamic simulations, which are highly dependent on physical assumptions and parameter tuning. In contrast, data-driven generative models do not have explicit…

Instrumentation and Methods for Astrophysics · Physics 2026-04-06 Xingzhong Fan , Hongming Tang , Yue Zeng , M. B. N. Kouwenhoven , Guangquan Zeng
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