The recent development of deep learning models for the PES provides an alternative possibility for acquiring and applying the Hessian in chemically relevant tasks30,31,32,33,34. Intuitively, the power of a fully differentiable machine learning (ML) force field does not stop at forces or gradients...
Many classification models based on convolutional neural networks (CNN) have been proposed in the field of computer vision. We compared the performance of four widely used models that vary in complexity of architecture to evaluate tradeoffs in accuracy and speed for bumble bee species classification....
Deep Learning GPUs (Graphics Processing Units) are instrumental in driving the progress ofartificial intelligenceand machine learning. To truly grasp the potential of deep learning, it is essential tounderstand Deep Learning GPUsand their significance in this field. Deep Learning GPUsare specialized hard...
Recently, hybrid models that combine deep networks and traditional methods of anomaly detection have been widely used in the field of anomaly detection. The idea is that deep networks are responsible for capturing features from data, then traditional detection methods can be used to distinguish anomal...
Earthworm-inspired soft robots have recently become a significant focus in the field of bionic robotics. The key scientific studies on earthworm-inspired soft robots revolve around the variations in form of the segmented worm body. As a result, numerous actuation approaches have been proposed to ...
Finally,Tsai and Saengsoi (2023)proposed a method that continuously collects and transmits real-time sensor data from the field to a central data repository or a cloud-based platform. The trained ARIMA model then forecasts the parameters. Next, the forecasted parameters are used to control the ...
future for ML in the polymer science field. See also the visual roadmap, Fig.1. Figure 1 A visual roadmap to the remainder of this prospective. Full size image Obstacles to implementing ML in polymer science In addition to the success of ML in materials science, there has been some ...
Over the past decade1,2, the use of artificial intelligence in medicine has increased substantially. Alongside the big boom of deep machine learning methods3, medicine became an integrative field for artificial intelligence. Currently, deep learning in medicine pertains mainly to clinical decision suppo...
‘the design, scaling, and commercialisation of biology-derived products and services that can transform sectors or produce existing products more sustainably’ and has designated the field as one of five critical technologies2. Engineering biology is sometimes synonymous with synthetic biology or ...
We pre-equilibrated the system using the TIP4P/Ice force field50 via the GROMACS package51. The temperature was set to 250 K, pressure to 0 bar, and the nucleus size barely changed during 500 ps. Then, we switched to the MLP and slightly heated the system towards 260 K for ...