相关论文: MING: A Functional Approach to Learning Molecular …

We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be…

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design…

Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different…

In this work, we introduce a novel computational framework that we developed to use numerical simulations to investigate the complexity of brain tissue at a microscopic level with a detail never realised before. Directly inspired by the…

Free-form inpainting is the task of adding new content to an image in the regions specified by an arbitrary binary mask. Most existing approaches train for a certain distribution of masks, which limits their generalization capabilities to…

De novo molecular generation is an essential task for science discovery. Recently, fragment-based deep generative models have attracted much research attention due to their flexibility in generating novel molecules based on existing…

Diffusion Models are popular generative modeling methods in various vision tasks, attracting significant attention. They can be considered a unique instance of self-supervised learning methods due to their independence from label…

Probabilistic graphical models (PGMs) are widely used to discover latent structure in data, but their success hinges on selecting an appropriate model design. In practice, model specification is difficult and often requires iterative…

Deep generative models have emerged as promising tools for detecting arbitrary anomalies in data, dispensing with the necessity for manual labelling. Recently, autoregressive transformers have achieved state-of-the-art performance for…

Generative models, such as GANs and diffusion models, have been used to augment training sets and boost performances in different tasks. We focus on generative models for cell detection instead, i.e., locating and classifying cells in given…

Denoising Diffusion Probabilistic Models (DDPMs) have recently achieved remarkable results in conditional and unconditional image generation. The pre-trained models can be adapted without further training to different downstream tasks, by…

While learned image compression (LIC) focuses on efficient data transmission, generative image compression (GIC) extends this framework by integrating generative modeling to produce photo-realistic reconstructed images. In this paper, we…

Generative diffusion models, famous for their performance in image generation, are popular in various cross-domain applications. However, their use in the communication community has been mostly limited to auxiliary tasks like data modeling…

Denosing diffusion model, as a generative model, has received a lot of attention in the field of image generation recently, thanks to its powerful generation capability. However, diffusion models have not yet received sufficient research in…

This paper considers neural representation through the lens of active inference, a normative framework for understanding brain function. It delves into how living organisms employ generative models to minimize the discrepancy between…

Diffusion Probabilistic Methods are employed for state-of-the-art image generation. In this work, we present a method for extending such models for performing image segmentation. The method learns end-to-end, without relying on a…

This work focuses on the problem of reconstructing a 3D human body mesh from a given 2D image. Despite the inherent ambiguity of the task of human mesh recovery, most existing works have adopted a method of regressing a single output. In…

Denoising diffusion models have found applications in image segmentation by generating segmented masks conditioned on images. Existing studies predominantly focus on adjusting model architecture or improving inference, such as test-time…

The concept of integrating physics-based and data-driven approaches has become popular for modeling sustainable energy systems. However, the existing literature mainly focuses on the data-driven surrogates generated to replace physics-based…

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…