RESUMEN
Recently, there has been a significant increase in the use of deep learning techniques in the molecular sciences, which have shown high performance on datasets and the ability to generalize across data. However, no model has achieved perfect performance in solving all problems, and the pros and cons of each approach remain unclear to those new to the field. Therefore, this paper aims to review deep learning algorithms that have been applied to solve molecular challenges in computational chemistry. We proposed a comprehensive categorization that encompasses two primary approaches; conventional deep learning and geometric deep learning models. This classification takes into account the distinct techniques employed by the algorithms within each approach. We present an up-to-date analysis of these algorithms, emphasizing their key features and open issues. This includes details of input descriptors, datasets used, open-source code availability, task solutions, and actual research applications, focusing on general applications rather than specific ones such as drug discovery. Furthermore, our report discusses trends and future directions in molecular algorithm design, including the input descriptors used for each deep learning model, GPU usage, training and forward processing time, model parameters, the most commonly used datasets, libraries, and optimization schemes. This information aids in identifying the most suitable algorithms for a given task. It also serves as a reference for the datasets and input data frequently used for each algorithm technique. In addition, it provides insights into the benefits and open issues of each technique, and supports the development of novel computational chemistry systems.
RESUMEN
Birds of prey especially eagles and hawks have a visual acuity two to five times better than humans. Among the peculiar characteristics of their biological vision are that they have two types of foveae; one shallow fovea used in their binocular vision, and a deep fovea for monocular vision. The deep fovea allows these birds to see objects at long distances and to identify them as possible prey. Inspired by the biological functioning of the deep fovea a model called DeepFoveaNet is proposed in this paper. DeepFoveaNet is a convolutional neural network model to detect moving objects in video sequences. DeepFoveaNet emulates the monocular vision of birds of prey through two Encoder-Decoder convolutional neural network modules. This model combines the capacity of magnification of the deep fovea and the context information of the peripheral vision. Unlike algorithms to detect moving objects, ranked in the first places of the Change Detection database (CDnet14), DeepFoveaNet does not depend on previously trained neural networks, neither on a huge number of training images for its training. Besides, its architecture allows it to learn spatiotemporal information of the video. DeepFoveaNet was evaluated in the CDnet14 database achieving high performance and was ranked as one of the ten best algorithms. The characteristics and results of DeepFoveaNet demonstrated that the model is comparable to the state-of-the-art algorithms to detect moving objects, and it can detect very small moving objects through its deep fovea model that other algorithms cannot detect.