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Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…
We present a unified vision-language framework tailored for ENT endoscopy image analysis that simultaneously tackles three clinically-relevant tasks: image classification, image-to-image retrieval, and text-to-image retrieval. Unlike…
Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…
Quantum machine learning (QML) is an emerging field that investigates the capabilities of quantum computers for learning tasks. While QML models can theoretically offer advantages such as exponential speed-ups, challenges in data loading…
With the maturation of quantum computing technology, research has gradually shifted towards exploring its applications. Alongside the rise of artificial intelligence, various machine learning methods have been developed into quantum…
Feature selection is critical in machine learning to reduce dimensionality and improve model accuracy and efficiency. The exponential growth in feature space dimensionality for modern datasets directly results in ambiguous samples and…
In this paper, we propose an image quality transformer (IQT) that successfully applies a transformer architecture to a perceptual full-reference image quality assessment (IQA) task. Perceptual representation becomes more important in image…
Interest in quantum machine learning is increasingly growing due to its potential to offer more efficient solutions for problems that are difficult to tackle with classical methods. In this context, the research work presented here focuses…
Quantum machine learning is a promising direction for building more efficient and expressive models, particularly in domains where understanding complex, structured data is critical. We present the Quantum Graph Transformer (QGT), a hybrid…
Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…
In this work, quantum transformers are designed and analysed in detail by extending the state-of-the-art classical transformer neural network architectures known to be very performant in natural language processing and image analysis.…
Quantum kernel methods, i.e., kernel methods with quantum kernels, offer distinct advantages as a hybrid quantum-classical approach to quantum machine learning (QML), including applicability to Noisy Intermediate-Scale Quantum (NISQ)…
Multilayer Extreme Learning Machine (ML-ELM) and its variants have proven to be an effective technique for the classification of different natural signals such as audio, video, acoustic and images. In this paper, a Hybrid Multilayer Extreme…
Quantum computing has the potential to solve problems that are intractable for classical systems, yet the high error rates in contemporary quantum devices often exceed tolerable limits for useful algorithm execution. Quantum Error…
Molecular Representation Learning is essential to solving many drug discovery and computational chemistry problems. It is a challenging problem due to the complex structure of molecules and the vast chemical space. Graph representations of…
Multimodal representation learning has demonstrated remarkable potential in enabling models to process and integrate diverse data modalities, such as text and images, for improved understanding and performance. While the medical domain can…
Quantum entanglement plays a pivotal role in various quantum information processing tasks. However, there still lacks a universal and effective way to detecting entanglement structures, especially for high-dimensional and multipartite…
We introduce an electronic structure based representation for quantum machine learning (QML) of electronic properties throughout chemical compound space. The representation is constructed using computationally inexpensive ab initio…
Capturing molecular knowledge with representation learning approaches holds significant potential in vast scientific fields such as chemistry and life science. An effective and generalizable molecular representation is expected to capture…
Recent advancements in quantum machine learning have shown promise in enhancing classical neural network architectures, particularly in domains involving complex, high-dimensional data. Building upon prior work in temporal sequence…