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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…
The great tunability of the properties of halide perovskites presents new opportunities for optoelectronic applications as well as significant challenges associated with exploring combinatorial chemical spaces. In this work, we develop a…
Transformer-based models have emerged as promising tools for time series forecasting. However, these model cannot make accurate prediction for long input time series. On the one hand, they failed to capture global dependencies within time…
Accurate amine property prediction is essential for optimizing CO2 capture efficiency in post-combustion processes. Quantum machine learning (QML) can enhance predictive modeling by leveraging superposition, entanglement, and interference…
Unsupervised vision clustering, a cornerstone in computer vision, has been studied for decades, yielding significant outcomes across numerous vision tasks. However, these algorithms involve substantial computational demands when confronted…
Quantum computers provide a super-exponential speedup for performing a Fourier transform over the symmetric group, an ability for which practical use cases have remained elusive so far. In this work, we leverage this ability to unlock…
In this study, we introduce Convolutional Transformer Neural Collaborative Filtering (CTNCF), a novel approach aimed at enhancing recommendation systems by effectively capturing high-order structural information in user-item interactions.…
Low dimensional hybrid organic-inorganic perovskites (HOIPs) represent a promising class of electronically active materials for both light absorption and emission. The design space of HOIPs is extremely large, since a diverse space of…
Two-dimensional (2D) hybrid organic inorganic perovskite (HOIP) semiconductors have attracted widespread attention as a platform of next generation optoelectronic devices benefiting from their naturally occurring and tunable multiple…
We solve a fundamental challenge in semiconductor IC design: the fast and accurate characterization of nanoscale photonic devices. Much like the fusion between AI and EDA, many efforts have been made to apply DNNs such as convolutional…
Convolution neural networks (CNNs) have succeeded in compressive image sensing. However, due to the inductive bias of locality and weight sharing, the convolution operations demonstrate the intrinsic limitations in modeling the long-range…
Quantum chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed that simulations running on quantum computers will allow for…
Molecular spin qudits based on lanthanide complexes offer a promising platform for quantum technologies, combining chemical tunability with multi-level encoding. However, experimental demonstrations of their envisaged capabilities remain…
Precise reconstruction of top quark properties is a challenging task at the Large Hadron Collider due to combinatorial backgrounds and missing information. We introduce a physics-informed neural network architecture called the Covariant…
Metal-Organic Frameworks (MOFs) are materials with a high degree of porosity that can be used for applications in energy storage, water desalination, gas storage, and gas separation. However, the chemical space of MOFs is close to an…
Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…
Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties. Traditional electronic structure methods require expensive…
Transformer-based architectures have revolutionized the landscape of deep learning. In computer vision domain, Vision Transformer demonstrates remarkable performance on par with or even surpassing that of convolutional neural networks.…
One critical component in lossy deep image compression is the entropy model, which predicts the probability distribution of the quantized latent representation in the encoding and decoding modules. Previous works build entropy models upon…
This paper explores the novel deep learning Transformers architectures for high-frequency Bitcoin-USDT log-return forecasting and compares them to the traditional Long Short-Term Memory models. A hybrid Transformer model, called…