Found 6391 results, showing the newest relevant preprints. Sort by relevancy only.Update me on new preprints

Accurate Multi-Objective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

Machine learning (ML, e.g., artificial neural network, ANN, or Gaussian process, GP) models for this task are limited by training data availability and predictive uncertainty quantification (UQ). Expand abstract.
18289 days ago
5/10 relevant
chemRxiv

Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction

Our approach outperforms previous graph-based neural networks by predicting products with more than 90% accuracy, demonstrates intuitive chemical reasoning through a learned attention mechanism, and provides generalizability across various reaction types. Expand abstract.
18289 days ago
10/10 relevant
chemRxiv

Discovery of Novel Chemical Reactions by Deep Generative Recurrent Neural Network

These served for the generation of novel reactions by sampling the latent space points and decoding them to SMILES/CGR. Expand abstract.
18289 days ago
5/10 relevant
chemRxiv

DenseCPD: Improving the Accuracy of Neural-Network-Based Computational Protein Sequence Design with DenseNet

This manuscript describes a neural network named DenseCPD to perform computational protein design given a backbone structure of a protein. Expand abstract.
18289 days ago
7/10 relevant
chemRxiv

An Autoencoder and Artificial Neural Network-based Method to Estimate Parity Status of Wild Mosquitoes from Near-infrared Spectra

In this study, we train an artificial neural network (ANN) models on NIR spectra to estimate the parity status of wild mosquitoes. Expand abstract.
1 day ago
7/10 relevant
bioRxiv

Epigenetic engineering of yeast reveals dynamic molecular adaptation to methylation stress and genetic modulators of specific DNMT3 family members

Convolutional neural networks trained on genome-wide CpG-methylation data learned distinct sequence preferences of DNMT3 family members. Expand abstract.
1 day ago
4/10 relevant
bioRxiv

Estimation for Compositional Data using Measurements from Nonlinear Systems using Artificial Neural Networks

The proposed methods using artificial neural networks (ANNs) can compete with the optimal bounds for linear systems, where convex optimization theory applies, and demonstrate promising results for nonlinear system inversions. Expand abstract.
3 days ago
10/10 relevant
arXiv

Low-Complexity LSTM Training and Inference with FloatSD8 Weight Representation

In this paper, we applied FloatSD to recurrent neural networks (RNNs), specifically long short-term memory (LSTM). Expand abstract.
4 days ago
5/10 relevant
arXiv

Ada-LISTA: Learned Solvers Adaptive to Varying Models

Neural networks that are based on unfolding of an iterative solver, such as LISTA (learned iterative soft threshold algorithm), are widely used due to their accelerated performance. Expand abstract.
4 days ago
4/10 relevant
arXiv

DCT-Conv: Coding filters in convolutional networks with Discrete Cosine Transform

Convolutional neural networks are based on a huge number of trained weights. Expand abstract.
4 days ago
6/10 relevant
arXiv