Rasit Onur Topaloglu

Collin Beaudoin, Satwik Kundu, Rasit Onur Topaloglu et al.

Using quantum computing, this paper addresses two scientifically pressing and day-to-day relevant problems, namely, chemical retrosynthesis which is an important step in drug/material discovery and security of the semiconductor supply chain. We show that Quantum Long Short-Term Memory (QLSTM) is a viable tool for retrosynthesis. We achieve 65% training accuracy with QLSTM, whereas classical LSTM can achieve 100%. However, in testing, we achieve 80% accuracy with the QLSTM while classical LSTM peaks at only 70% accuracy! We also demonstrate an application of Quantum Neural Network (QNN) in the hardware security domain, specifically in Hardware Trojan (HT) detection using a set of power and area Trojan features. The QNN model achieves detection accuracy as high as 97.27%.

Junde Li, Rasit Topaloglu, Swaroop Ghosh

Existing drug discovery pipelines take 5-10 years and cost billions of dollars. Computational approaches aim to sample from regions of the whole molecular and solid-state compounds called chemical space which could be on the order of 1060 . Deep generative models can model the underlying probability distribution of both the physical structures and property of drugs and relate them nonlinearly. By exploiting patterns in massive datasets, these models can distill salient features that characterize the molecules. Generative Adversarial Networks (GANs) discover drug candidates by generating molecular structures that obey chemical and physical properties and show affinity towards binding with the receptor for a target disease. However, classical GANs cannot explore certain regions of the chemical space and suffer from curse-of-dimensionality. A full quantum GAN may require more than 90 qubits even to generate QM9-like small molecules. We propose a qubit-efficient quantum GAN with a hybrid generator (QGAN-HG) to learn richer representation of molecules via searching exponentially large chemical space with few qubits more efficiently than classical GAN. The QGANHG model is composed of a hybrid quantum generator that supports various number of qubits and quantum circuit layers, and, a classical discriminator. QGAN-HG with only 14.93% retained parameters can learn molecular distribution as efficiently as classical counterpart. The QGAN-HG variation with patched circuits considerably accelerates our standard QGANHG training process and avoids potential gradient vanishing issue of deep neural networks. Code is available on GitHub https://github.com/jundeli/quantum-gan.

Mahabubul Alam, Satwik Kundu, Rasit Onur Topaloglu et al.

Image classification is a major application domain for conventional deep learning (DL). Quantum machine learning (QML) has the potential to revolutionize image classification. In any typical DL-based image classification, we use convolutional neural network (CNN) to extract features from the image and multi-layer perceptron network (MLP) to create the actual decision boundaries. On one hand, QML models can be useful in both of these tasks. Convolution with parameterized quantum circuits (Quanvolution) can extract rich features from the images. On the other hand, quantum neural network (QNN) models can create complex decision boundaries. Therefore, Quanvolution and QNN can be used to create an end-to-end QML model for image classification. Alternatively, we can extract image features separately using classical dimension reduction techniques such as, Principal Components Analysis (PCA) or Convolutional Autoencoder (CAE) and use the extracted features to train a QNN. We review two proposals on quantum-classical hybrid ML models for image classification namely, Quanvolutional Neural Network and dimension reduction using a classical algorithm followed by QNN. Particularly, we make a case for trainable filters in Quanvolution and CAE-based feature extraction for image datasets (instead of dimension reduction using linear transformations such as, PCA). We discuss various design choices, potential opportunities, and drawbacks of these models. We also release a Python-based framework to create and explore these hybrid models with a variety of design choices.

Shubham Rai, Walter Lau Neto, Yukio Miyasaka et al.

Logic synthesis is a fundamental step in hardware design whose goal is to find structural representations of Boolean functions while minimizing delay and area. If the function is completely-specified, the implementation accurately represents the function. If the function is incompletely-specified, the implementation has to be true only on the care set. While most of the algorithms in logic synthesis rely on SAT and Boolean methods to exactly implement the care set, we investigate learning in logic synthesis, attempting to trade exactness for generalization. This work is directly related to machine learning where the care set is the training set and the implementation is expected to generalize on a validation set. We present learning incompletely-specified functions based on the results of a competition conducted at IWLS 2020. The goal of the competition was to implement 100 functions given by a set of care minterms for training, while testing the implementation using a set of validation minterms sampled from the same function. We make this benchmark suite available and offer a detailed comparative analysis of the different approaches to learning