相关论文: Inorganic Catalyst Efficiency Prediction Based on …

As human activities intensify, environmental systems such as aquatic ecosystems and water treatment systems face increasingly complex pressures, impacting ecological balance, public health, and sustainable development, making intelligent…

With the advancement of Industry 4.0, intelligent manufacturing extensively employs sensors for real-time multidimensional data collection, playing a crucial role in equipment monitoring, process optimisation, and efficiency enhancement.…

Conventional methods, including Decision Tree (DT)-based methods, have been effective in scientific tasks, such as non-image medical diagnostics, system anomaly detection, and inorganic catalysis efficiency prediction. However, most…

Ensemble learning is a meta-learning approach that combines the predictions of multiple learners, demonstrating improved accuracy and robustness. Nevertheless, ensembling models like Convolutional Neural Networks (CNNs) result in high…

A deep learning based method with the convolutional neural network (CNN) algorithm for determining the impact parameters is developed using the constrained molecular dynamics model simulations, focusing on the heavy-ion collisions at the…

Predicting compound-protein affinity is critical for accelerating drug discovery. Recent progress made by machine learning focuses on accuracy but leaves much to be desired for interpretability. Through molecular contacts underlying…

High-performance catalysts are crucial for sustainable energy conversion and human health. However, the discovery of catalysts faces challenges due to the absence of efficient approaches to navigating vast and high-dimensional structure and…

The sustainable production of many bulk chemicals relies on heterogeneous catalysis. The rational design or improvement of the required catalysts critically depends on insights into the underlying mechanisms at the atomic scale. In recent…

The paradigm of electrocardiogram (ECG) analysis has evolved into real-time digital analysis, facilitated by artificial intelligence (AI) and machine learning (ML), which has improved the diagnostic precision and predictive capacity of…

Predicting stochastic cellular dynamics as emerging from the mechanistic models of molecular interactions is a long-standing challenge in systems biology: low-level chemical reaction network (CRN) models give raise to a highly-dimensional…

Event-related potential (ERP), a specialized paradigm of electroencephalographic (EEG), reflects neurological responses to external stimuli or events, generally associated with the brain's processing of specific cognitive tasks. ERP plays a…

The discovery of new catalysts is one of the significant topics of computational chemistry as it has the potential to accelerate the adoption of renewable energy sources. Recently developed deep learning approaches such as graph neural…

The rapid accumulation of Electronic Health Records (EHRs) has transformed healthcare by providing valuable data that enhance clinical predictions and diagnoses. While conventional machine learning models have proven effective, they often…

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastically accelerate the computation of catalytic activity…

The customizable nature of deep learning models have allowed them to be successful predictors in various disciplines. These models are often trained with respect to thousands or millions of instances for complicated problems, but the…

Emergent learning transforms a disordered optical medium into a photonic device capable of storage, recognition, and classification of arbitrary memory patterns. First, we show that the intensity at the output of a multiply scattering…

Convolutional Neural Networks (CNNs), a prominent type of Deep Neural Networks (DNNs), have emerged as a state-of-the-art solution for solving machine learning tasks. To improve the performance and energy efficiency of CNN inference, the…

The paradigm of automated waste classification has recently seen a shift in the domain of interest from conventional image processing techniques to powerful computer vision algorithms known as convolutional neural networks (CNN).…

Many DNN-enabled vision applications constantly operate under severe energy constraints such as unmanned aerial vehicles, Augmented Reality headsets, and smartphones. Designing DNNs that can meet a stringent energy budget is becoming…