相关论文: MolQAE: Quantum Autoencoder for Molecular Represen…

Neural network approaches to single-channel speech enhancement have received much recent attention. In particular, mask-based architectures have achieved significant performance improvements over conventional methods. This paper proposes a…

Recent progress in scaling up large language models has shown impressive capabilities in performing few-shot learning across a wide range of text-based tasks. However, a key limitation is that these language models fundamentally lack visual…

Variational autoencoders (VAEs) are powerful generative models with the salient ability to perform inference. Here, we introduce a quantum variational autoencoder (QVAE): a VAE whose latent generative process is implemented as a quantum…

This paper investigates a novel algorithmic approach to data representation based on kernel methods. Assuming that the observations lie in a Hilbert space X, the introduced Kernel Autoencoder (KAE) is the composition of mappings from…

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally…

Quantum Amplitude Estimation (QAE) is a key primitive in quantum computing, but its standard implementation using Quantum Phase Estimation is resource-intensive, requiring a large number of coherent qubits in a single circuit block to…

A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…

Quantum autoencoder (QAE) compresses a bipartite quantum state into its subsystem by a self-checking mechanism. How to characterize the lost information in this process is essential to understand the compression mechanism of QAE\@. Here we…

Efficiently encoding classical visual data into quantum states is essential for realizing practical quantum neural networks (QNNs). However, existing encoding schemes often discard spatial and semantic information when adapting…

Optimizing molecular design and discovering novel chemical structures to meet certain objectives, such as quantitative estimates of the drug-likeness score (QEDs), is NP-hard due to the vast combinatorial design space of discrete molecular…

We propose a quantum implicit neural representation (QINR)-based autoencoder (AE) and variational autoencoder (VAE) for image reconstruction and generation tasks. Our purpose is to demonstrate that the QINR in VAEs and AEs can transform…

We present a novel masked image modeling (MIM) approach, context autoencoder (CAE), for self-supervised representation pretraining. We pretrain an encoder by making predictions in the encoded representation space. The pretraining tasks…

Quantum autoencoders (QAEs) are learning architectures that compress quantum data into a low-dimensional latent state while preserving the information needed for reconstruction. We study blind single-copy compression of quantum states…

This paper studies a simple extension of image-based Masked Autoencoders (MAE) to self-supervised representation learning from audio spectrograms. Following the Transformer encoder-decoder design in MAE, our Audio-MAE first encodes audio…

In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…

We propose the Motion Capsule Autoencoder (MCAE), which addresses a key challenge in the unsupervised learning of motion representations: transformation invariance. MCAE models motion in a two-level hierarchy. In the lower level, a…

Learning interpretable representations of data remains a central challenge in deep learning. When training a deep generative model, the observed data are often associated with certain categorical labels, and, in parallel with learning to…

Self-supervised learning has been a powerful training paradigm to facilitate representation learning. In this study, we design a masked autoencoder (MAE) to guide deep learning models to learn electroencephalography (EEG) signal…

Deep generative models have been praised for their ability to learn smooth latent representation of images, text, and audio, which can then be used to generate new, plausible data. However, current generative models are unable to work with…

Medicinal chemists often optimize drugs considering their 3D structures and designing structurally distinct molecules that retain key features, such as shapes, pharmacophores, or chemical properties. Previous deep learning approaches…