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Harnessing the rich nonlinear dynamics of highly-deformable materials has the potential to unlock the next generation of functional smart materials and devices. However, unlocking such potential requires effective strategies to spatially…

We address the problem of data augmentation in a rotating turbulence set-up, a paradigmatic challenge in geophysical applications. The goal is to reconstruct information in two-dimensional (2D) cuts of the three-dimensional flow fields,…

Machine learning models are gaining increasing popularity in the domain of fluid dynamics for their potential to accelerate the production of high-fidelity computational fluid dynamics data. However, many recently proposed machine learning…

Machine Learning · Computer Science 2023-03-01 Dule Shu , Zijie Li , Amir Barati Farimani

Cross-Modal learning tasks have picked up pace in recent times. With plethora of applications in diverse areas, generation of novel content using multiple modalities of data has remained a challenging problem. To address the same, various…

Computer Vision and Pattern Recognition · Computer Science 2023-07-12 Nikhil Verma

Generative models have recently undergone significant advancement due to the diffusion models. The success of these models can be often attributed to their use of guidance techniques, such as classifier or classifier-free guidance, which…

Computer Vision and Pattern Recognition · Computer Science 2023-01-31 Gyeongnyeon Kim , Wooseok Jang , Gyuseong Lee , Susung Hong , Junyoung Seo , Seungryong Kim

Current language models demonstrate remarkable proficiency in text generation. However, for many applications it is desirable to control attributes, such as sentiment, or toxicity, of the generated language -- ideally tailored towards each…

Computation and Language · Computer Science 2024-08-09 Justin Lovelace , Varsha Kishore , Yiwei Chen , Kilian Q. Weinberger

Inverse design approach, which directly generates optimal aerodynamic shape with neural network models to meet designated performance targets, has drawn enormous attention. However, the current state-of-the-art inverse design approach for…

Machine Learning · Computer Science 2025-03-11 Shisong Deng , Qiang Zhang , Zhengyang Cai

Diffusion models represent a class of generative models that produce data by denoising a sample corrupted by white noise. Despite the success of diffusion models in computer vision, audio synthesis, and point cloud generation, so far they…

Statistical Mechanics · Physics 2025-01-17 Kanta Masuki , Yuto Ashida

Disentangled representation learning strives to extract the intrinsic factors within observed data. Factorizing these representations in an unsupervised manner is notably challenging and usually requires tailored loss functions or specific…

Computer Vision and Pattern Recognition · Computer Science 2024-06-13 Tao Yang , Cuiling Lan , Yan Lu , Nanning zheng

The inverse design of materials with specific desired properties, such as high-temperature superconductivity, represents a formidable challenge in materials science due to the vastness of chemical and structural space. We present a guided…

We investigate the construction of generative models capable of encoding physical constraints that can be hard to express explicitly. For the problem of inverse material design, where one seeks to design a material with a prescribed set of…

Materials Science · Physics 2024-01-17 Khalid El-Awady

Reaction-diffusion (Turing) systems are fundamental to the formation of spatial patterns in nature and engineering. These systems are governed by a set of non-linear partial differential equations containing parameters that determine the…

Machine Learning · Computer Science 2022-11-28 Jordon Kho , Winston Koh , Jian Cheng Wong , Pao-Hsiung Chiu , Chin Chun Ooi

We present a tool for enhancing the detail of physically based materials using an off-the-shelf diffusion model and inverse rendering. Our goal is to enhance the visual fidelity of materials with detail that is often tedious to author, by…

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

Traditional foundation models are pre-trained on broad datasets to reduce the training resources (e.g., time, energy, labeled samples) needed for fine-tuning a wide range of downstream tasks. However, traditional foundation models struggle…

Machine Learning · Computer Science 2025-04-24 Majid Farhadloo , Arun Sharma , Mingzhou Yang , Bharat Jayaprakash , William Northrop , Shashi Shekhar

We propose self-diffusion, a novel framework for solving inverse problems without relying on pretrained generative models. Traditional diffusion-based approaches require training a model on a clean dataset to learn to reverse the forward…

Machine Learning · Computer Science 2025-12-09 Guanxiong Luo , Shoujin Huang , Yanlong Yang

In this paper, we consider the conditional generation problem by guiding off-the-shelf unconditional diffusion models with differentiable loss functions in a plug-and-play fashion. While previous research has primarily focused on balancing…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Youyuan Zhang , Zehua Liu , Zenan Li , Zhaoyu Li , James J. Clark , Xujie Si

We present a data-driven method for learning to generate animations of 3D garments using a 2D image diffusion model. In contrast to existing methods, typically based on fully connected networks, graph neural networks, or generative…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Raquel Vidaurre , Elena Garces , Dan Casas

Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resistance in cancer therapy. Considering the tremendous success…

Machine Learning · Computer Science 2024-11-27 Xiangxin Zhou , Jiaqi Guan , Yijia Zhang , Xingang Peng , Liang Wang , Jianzhu Ma

Diffusion models (DMs) have achieved remarkable success in image and video generation. However, they still struggle with (1) physical alignment and (2) out-of-distribution (OOD) instruction following. We argue that these issues stem from…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Shu Yu , Chaochao Lu
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