Transformer-based protein generation with regularized latent space optimization

E Castro, A Godavarthi, J Rubinfien… - Nature Machine …, 2022 - nature.com
The development of powerful natural language models has improved the ability to learn
meaningful representations of protein sequences. In addition, advances in high-throughput …

Leveraging ancestral sequence reconstruction for protein representation learning

DS Matthews, MA Spence, AC Mater… - Nature Machine …, 2024 - nature.com
Protein language models (PLMs) convert amino acid sequences into the numerical
representations required to train machine learning models. Many PLMs are large (> 600 …

Deep dive into RNA: a systematic literature review on RNA structure prediction using machine learning methods

M Budnik, J Wawrzyniak, Ł Grala, M Kadziński… - Artificial Intelligence …, 2024 - Springer
The discovery of non-coding RNAs (ncRNAs) has expanded our comprehension of RNAs'
inherent nature and capabilities. The intricate three-dimensional structures assumed by …

Understanding graph neural networks with generalized geometric scattering transforms

M Perlmutter, A Tong, F Gao, G Wolf, M Hirn - SIAM Journal on Mathematics of …, 2023 - SIAM
The scattering transform is a multilayered wavelet-based architecture that acts as a model of
convolutional neural networks. Recently, several works have generalized the scattering …

Overcoming oversmoothness in graph convolutional networks via hybrid scattering networks

F Wenkel, Y Min, M Hirn, M Perlmutter… - arxiv preprint arxiv …, 2022 - arxiv.org
Geometric deep learning has made great strides towards generalizing the design of
structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise …

Molecular graph generation via geometric scattering

D Bhaskar, J Grady, E Castro… - 2022 IEEE 32nd …, 2022 - ieeexplore.ieee.org
Although existing deep learning models perform remarkably well at predicting
physicochemical properties and binding affinities, the generation of new molecules with …

ReLSO: a transformer-based model for latent space optimization and generation of proteins

E Castro, A Godavarthi, J Rubinfien… - arxiv preprint arxiv …, 2022 - arxiv.org
The development of powerful natural language models have increased the ability to learn
meaningful representations of protein sequences. In addition, advances in high-throughput …

Visualizing DNA reaction trajectories with deep graph embedding approaches

C Zhang, KD Duc, A Condon - arxiv preprint arxiv:2311.03409, 2023 - arxiv.org
Synthetic biologists and molecular programmers design novel nucleic acid reactions, with
many potential applications. Good visualization tools are needed to help domain experts …

BLIS-Net: Classifying and Analyzing Signals on Graphs

C Xu, L Goldman, V Guo, B Hollander-Bodie… - arxiv preprint arxiv …, 2023 - arxiv.org
Graph neural networks (GNNs) have emerged as a powerful tool for tasks such as node
classification and graph classification. However, much less work has been done on signal …

[PDF][PDF] Guided generative protein design using regularized transformers

E Castro, A Godavarthi, J Rubinfien… - CoRR abs …, 2022 - academia.edu
The development of powerful natural language models have increased the ability to learn
meaningful representations of protein sequences. In addition, advances in high-throughput …