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n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…

Machine Learning · Computer Science 2024-12-06 Xiang Chen

There are many real-world knowledge based networked systems with multi-type interacting entities that can be regarded as heterogeneous networks including human connections and biological evolutions. One of the main issues in such networks…

Social and Information Networks · Computer Science 2019-11-05 Soheila Molaei , Hadi Zare , Hadi Veisi

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Hyungjin Chung , Dohoon Ryu , Michael T. McCann , Marc L. Klasky , Jong Chul Ye

Unsupervised learning aims at the discovery of hidden structure that drives the observations in the real world. It is essential for success in modern machine learning. Latent variable models are versatile in unsupervised learning and have…

Machine Learning · Computer Science 2016-06-13 Furong Huang

Flood prediction is critical for emergency planning and response to mitigate human and economic losses. Traditional physics-based hydrodynamic models generate high-resolution flood maps using numerical methods requiring fine-grid…

Computer Vision and Pattern Recognition · Computer Science 2025-11-19 Sun Han Neo , Sachith Seneviratne , Herath Mudiyanselage Viraj Vidura Herath , Abhishek Saha , Sanka Rasnayaka , Lucy Amanda Marshall

It is a known problem that deep-learning-based end-to-end (E2E) channel coding systems depend on a known and differentiable channel model, due to the learning process and based on the gradient-descent optimization methods. This places the…

Information Theory · Computer Science 2023-11-30 Muah Kim , Rick Fritschek , Rafael F. Schaefer

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer…

Materials Science · Physics 2023-06-21 Rachel K. Luu , Marcin Wysokowski , Markus J. Buehler

High-resolution (HR) MRI scans obtained from research-grade medical centers provide precise information about imaged tissues. However, routine clinical MRI scans are typically in low-resolution (LR) and vary greatly in contrast and spatial…

Image and Video Processing · Electrical Eng. & Systems 2023-08-25 Jueqi Wang , Jacob Levman , Walter Hugo Lopez Pinaya , Petru-Daniel Tudosiu , M. Jorge Cardoso , Razvan Marinescu

High Dynamic Range (HDR) generation remains challenging for generative models, which are largely limited to low dynamic range outputs. Recent diffusionbased approaches approximate HDR by generating multiple exposure-conditioned samples,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Pedram Fekri , WenChen Li , William Chen , Peter Altamirano

Graph generation is a critical task across scientific domains. Existing methods fall broadly into two categories: autoregressive models, which iteratively expand graphs, and one-shot models, such as diffusion, which generate the full graph…

Machine Learning · Computer Science 2025-12-02 Nagham Osman , Keyue Jiang , Davide Buffelli , Xiaowen Dong , Laura Toni

Diffusion models may be viewed as hierarchical variational autoencoders (VAEs) with two improvements: parameter sharing for the conditional distributions in the generative process and efficient computation of the loss as independent terms…

Machine Learning · Computer Science 2025-10-20 Beatrix M. G. Nielsen , Anders Christensen , Andrea Dittadi , Ole Winther

End-to-end learning is emerging as a powerful paradigm for robotic manipulation, but its effectiveness is limited by data scarcity and the heterogeneity of action spaces across robot embodiments. In particular, diverse action spaces across…

Robotics · Computer Science 2026-03-23 Erik Bauer , Elvis Nava , Robert K. Katzschmann

Multi-modal data-sets are ubiquitous in modern applications, and multi-modal Variational Autoencoders are a popular family of models that aim to learn a joint representation of the different modalities. However, existing approaches suffer…

Machine Learning · Computer Science 2023-12-19 Mustapha Bounoua , Giulio Franzese , Pietro Michiardi

We present a latent diffusion-based differentiable inversion method (LD-DIM) for PDE-constrained inverse problems involving high-dimensional spatially distributed coefficients. LD-DIM couples a pretrained latent diffusion prior with an…

Numerical Analysis · Mathematics 2025-12-30 Zihan Lin , QiZhi He

We present the first framework to solve linear inverse problems leveraging pre-trained latent diffusion models. Previously proposed algorithms (such as DPS and DDRM) only apply to pixel-space diffusion models. We theoretically analyze our…

Machine Learning · Computer Science 2023-07-04 Litu Rout , Negin Raoof , Giannis Daras , Constantine Caramanis , Alexandros G. Dimakis , Sanjay Shakkottai

Diffusion models have emerged as powerful tools for solving inverse problems due to their exceptional ability to model complex prior distributions. However, existing methods predominantly assume known forward operators (i.e., non-blind),…

Computer Vision and Pattern Recognition · Computer Science 2024-07-02 Weimin Bai , Siyi Chen , Wenzheng Chen , He Sun

Diffusion models have become increasingly popular for generative modeling due to their ability to generate high-quality samples. This has unlocked exciting new possibilities for solving inverse problems, especially in image restoration and…

The pursuit of discovering new phenomena at the Large Hadron Collider (LHC) demands constant innovation in algorithms and technologies. Tensor networks are mathematical models on the intersection of classical and quantum machine learning,…

High Energy Physics - Phenomenology · Physics 2025-11-05 Ema Puljak , Maurizio Pierini , Artur Garcia-Saez

Consistent improvement of image priors over the years has led to the development of better inverse problem solvers. Diffusion models are the newcomers to this arena, posing the strongest known prior to date. Recently, such models operating…

Computer Vision and Pattern Recognition · Computer Science 2025-01-22 Ron Raphaeli , Sean Man , Michael Elad

Text-to-image diffusion models have demonstrated remarkable effectiveness in rapid and high-fidelity personalization, even when provided with only a few user images. However, the effectiveness of personalization techniques has lead to…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Naresh Kumar Devulapally , Shruti Agarwal , Tejas Gokhale , Vishnu Suresh Lokhande