相关论文: Generating QM1B with PySCF$_{\text{IPU}}$

Large-scale pretraining of visual representations has led to state-of-the-art performance on a range of benchmark computer vision tasks, yet the benefits of these techniques at extreme scale in complex production systems has been relatively…

Machine learning approaches in drug discovery, as well as in other areas of the chemical sciences, benefit from curated datasets of physical molecular properties. However, there is a lack of sufficiently large data collections that include…

The neural network and quantum computing are both significant and appealing fields, with their interactive disciplines promising for large-scale computing tasks that are untackled by conventional computers. However, both developments are…

In this study, we propose a novel architecture, the Quantum Pointwise Convolution, which incorporates pointwise convolution within a quantum neural network framework. Our approach leverages the strengths of pointwise convolution to…

Flow-Imaging Microscopy (FIM) is commonly used in both academia and industry to characterize subvisible particles (those $\le 25 \mu m$ in size) in protein therapeutics. Pharmaceutical companies are required to record vast volumes of FIM…

The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…

In the modern world, facial identification is an extremely important task in which many applications rely on high performing algorithms to detect faces efficiently. Whilst classical methods of SVM and k-NN commonly used may perform to a…

Machine learning and quantum computing are two technologies that are causing a paradigm shift in the performance and behavior of certain algorithms, achieving previously unattainable results. Machine learning (kernel classification) has…

Quantum Neuromorphic Computing (QNC) merges quantum computation with neural computation to create scalable, noise-resilient algorithms for quantum machine learning (QML). At the core of QNC is the quantum perceptron (QP), which leverages…

Quantum machine learning has proven to be a fruitful area in which to search for potential applications of quantum computers. This is particularly true for those available in the near term, so called noisy intermediate-scale quantum (NISQ)…

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

The use of advanced quantum neuron models for pattern recognition applications requires fault tolerance. Therefore, it is not yet possible to test such models on a large scale in currently available quantum processors. As an alternative, we…

The development of machine learning models has led to an abundance of datasets containing quantum mechanical (QM) calculations for molecular and material systems. However, traditional training methods for machine learning models are unable…

Conventional multiply-accumulate (MAC) operations have long dominated computation time for deep neural networks (DNNs), espcially convolutional neural networks (CNNs). Recently, product quantization (PQ) has been applied to these workloads,…

Graph-based computations are crucial in a wide range of applications, where graphs can scale to trillions of edges. To enable efficient training on such large graphs, mini-batch subgraph sampling is commonly used, which allows training…

Networks are widely used to model objects with interactions and have enabled various downstream applications. However, in the real world, network mining is often done on particular query sets of objects, which does not require the…

U-Net, known for its simple yet efficient architecture, is widely utilized for image processing tasks and is particularly suitable for deployment on neuromorphic chips. This paper introduces the novel concept of Spiking-UNet for image…

Quantum machine learning is one of the most promising applications of quantum computing in the Noisy Intermediate-Scale Quantum(NISQ) era. Here we propose a quantum convolutional neural network(QCNN) inspired by convolutional neural…

Quantum natural language processing (QNLP) offers a novel approach to semantic modeling by embedding compositional structure directly into quantum circuits. This paper investigates the application of QNLP models to the task of Natural…

Bayesian Neural Networks (BNNs) have been proposed to address the problem of model uncertainty in training and inference. By introducing weights associated with conditioned probability distributions, BNNs are capable of resolving the…