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

"Masked Autoencoders (MAE) Are Scalable Vision Learners" revolutionizes the self-supervised learning method in that it not only achieves the state-of-the-art for image pre-training, but is also a milestone that bridges the gap between…

We present a framework, which we call Molecule Deep $Q$-Networks (MolDQN), for molecule optimization by combining domain knowledge of chemistry and state-of-the-art reinforcement learning techniques (double $Q$-learning and randomized value…

One of the primary challenges in optimizing large language models (LLMs) for long-context inference lies in the high memory consumption of the Key-Value (KV) cache. Existing approaches, such as quantization, have demonstrated promising…

We introduce 1P1Q, a novel quantum data encoding scheme for high-energy physics (HEP), where each particle is assigned to an individual qubit, enabling direct representation of collision events without classical compression. We demonstrate…

As a ubiquitous aspect of modern information technology, data compression has a wide range of applications. Therefore, a quantum autoencoder which can compress quantum information into a low-dimensional space is fundamentally important to…

Quantum autoencoder is an efficient variational quantum algorithm for quantum data compression. However, previous quantum autoencoders fail to compress and recover high-rank mixed states. In this work, we discuss the fundamental properties…

Disentangled representation learning aims to represent the underlying generative factors of a dataset in a latent representation independently of one another. In our work, we propose a discrete variational autoencoder (VAE) based model…

Masked point modeling methods have recently achieved great success in self-supervised learning for point cloud data. However, these methods are sensitive to rotations and often exhibit sharp performance drops when encountering rotational…

In the domain of computer vision, the restoration of missing information in video frames is a critical challenge, particularly in applications such as autonomous driving and surveillance systems. This paper introduces the Siamese Masked…

The recently developed Projective Quantum Eigensolver (PQE) has been demonstrated as an elegant methodology to compute the ground state energy of molecular systems in Noisy Intermdiate Scale Quantum (NISQ) devices. The iterative…

Quantum machine learning (QML) has emerged as a promising direction in the noisy intermediate-scale quantum (NISQ) era, offering computational and memory advantages by harnessing superposition and entanglement. However, QML models often…

Learning useful representations without supervision remains a key challenge in machine learning. In this paper, we propose a simple yet powerful generative model that learns such discrete representations. Our model, the Vector…

Quantitative Magnetic Resonance Imaging (qMRI) enables the reproducible measurement of biophysical parameters in tissue. The challenge lies in solving a nonlinear, ill-posed inverse problem to obtain the desired tissue parameter maps from…

In quantised autoencoders, images are usually split into local patches, each encoded by one token. This representation is redundant in the sense that the same number of tokens is spend per region, regardless of the visual information…

Current state-of-the-art generative approaches frequently rely on a two-stage training procedure, where an autoencoder (often a VAE) first performs dimensionality reduction, followed by training a generative model on the learned latent…

Vector-Quantized Variational Autoencoders (VQ-VAE)[1] provide an unsupervised model for learning discrete representations by combining vector quantization and autoencoders. In this paper, we study the use of VQ-VAE for representation…

Building robust medical machine learning systems requires pretraining strategies that exploit the intrinsic structure present in clinical data. We introduce Multiview Masked Autoencoder (MVMAE), a self-supervised framework that leverages…

Recent advancements in quantum algorithms have reached a state where we can consider how to capitalize on quantum and classical computational resources to accelerate molecular resonance state identification. Here we identify molecular…

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

A proof-of-concept framework for identifying molecules of unknown elemental composition and structure using experimental rotational data and probabilistic deep learning is presented. Using a minimal set of input data determined…