相关论文: Crystal Diffusion Variational Autoencoder for Peri…
Recent breakthroughs in video autoencoders (Video AEs) have advanced video generation, but existing methods fail to efficiently model spatio-temporal redundancies in dynamics, resulting in suboptimal compression factors. This shortfall…
Diffusion models have become the dominant paradigm for image generation and editing, with latent diffusion models shifting denoising to a compact latent space for efficiency and scalability. Recent attempts to leverage pretrained visual…
Emerging Denoising Diffusion Probabilistic Models (DDPM) have become increasingly utilised because of promising results they have achieved in diverse generative tasks with continuous data, such as image and sound synthesis. Nonetheless, the…
In this study, we propose the Affine Variational Autoencoder (AVAE), a variant of Variational Autoencoder (VAE) designed to improve robustness by overcoming the inability of VAEs to generalize to distributional shifts in the form of affine…
Determining whether a candidate crystalline material is thermodynamically stable depends on identifying its true ground-state structure, a central challenge in computational materials science. We introduce CrystalGRW, a diffusion-based…
The de novo design of drug molecules is recognized as a time-consuming and costly process, and computational approaches have been applied in each stage of the drug discovery pipeline. Variational autoencoder is one of the computer-aided…
Cryo-electron microscopy (cryo-EM) has revolutionized experimental protein structure determination. Despite advances in high resolution reconstruction, a majority of cryo-EM experiments provide either a single state of the studied…
We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…
The inherent compositional heterogeneity of multi-principal element alloys (MPEAs) gives rise to complex, spatially varying mechanical fields that cannot be uniquely determined from coarse-grained composition descriptors. This…
Denoising diffusion models produce high-fidelity image samples by capturing the image distribution in a progressive manner while initializing with a simple distribution and compounding the distribution complexity. Although these models have…
Learning informative representations of phylogenetic tree structures is essential for analyzing evolutionary relationships. Classical distance-based methods have been widely used to project phylogenetic trees into Euclidean space, but they…
Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials.…
Variational Autoencoder (VAE) aims to compress pixel data into low-dimensional latent space, playing an important role in OpenAI's Sora and other latent video diffusion generation models. While most of existing video VAEs inflate a…
Sequential recommendation as an emerging topic has attracted increasing attention due to its important practical significance. Models based on deep learning and attention mechanism have achieved good performance in sequential…
Optimal computations under uncertainty require an adequate probabilistic representation about beliefs. Deep generative models, and specifically Variational Autoencoders (VAEs), have the potential to meet this demand by building latent…
The Variational Autoencoder (VAE) has proven to be an effective model for producing semantically meaningful latent representations for natural data. However, it has thus far seen limited application to sequential data, and, as we…
The surrogate loss of variational autoencoders (VAEs) poses various challenges to their training, inducing the imbalance between task fitting and representation inference. To avert this, the existing strategies for VAEs focus on adjusting…
There are many problems in physics, biology, and other natural sciences in which symbolic regression can provide valuable insights and discover new laws of nature. A widespread Deep Neural Networks do not provide interpretable solutions.…
Codebook collapse is a common problem in training deep generative models with discrete representation spaces like Vector Quantized Variational Autoencoders (VQ-VAEs). We observe that the same problem arises for the alternatively designed…
Time series Anomaly Detection (AD) plays a crucial role for web systems. Various web systems rely on time series data to monitor and identify anomalies in real time, as well as to initiate diagnosis and remediation procedures. Variational…