activity
20182023
most citedDocking-based generative approaches in the search for new drug candidates

48 citations · 107 across the 7 of their papers we have counts for

collaborators

9 papers

q-bio.BM2023★ 48 cited

Docking-based generative approaches in the search for new drug candidates

Tomasz Danel, Jan Łęski, Sabina Podlewska +1

Despite the great popularity of virtual screening of existing compound libraries, the search for new potential drug candidates also takes advantage of generative protocols, where n…

cs.LG2021★ 3 cited

Relative Molecule Self-Attention Transformer

Łukasz Maziarka, Dawid Majchrowski, Tomasz Danel +5

Self-supervised learning holds promise to revolutionize molecule property prediction - a central task to drug discovery and many more industries - by enabling data efficient learni…

cs.LG2021★ 30 cited

Zero Time Waste: Recycling Predictions in Early Exit Neural Networks

Maciej Wołczyk, Bartosz Wójcik, Klaudia Bałazy +4

The problem of reducing processing time of large deep learning models is a fundamental challenge in many real-world applications. Early exit methods strive towards this goal by att…

cs.LG2020

Generative models with kernel distance in data space

Szymon Knop, Marcin Mazur, Przemysław Spurek +2

Generative models dealing with modeling a~joint data distribution are generally either autoencoder or GAN based. Both have their pros and cons, generating blurry images or being un…

cs.LG2019

One-element Batch Training by Moving Window

Przemysław Spurek, Szymon Knop, Jacek Tabor +2

Several deep models, esp. the generative, compare the samples from two distributions (e.g. WAE like AutoEncoder models, set-processing deep networks, etc) in their cost functions.…

cs.LG2019★ 10 cited

Feature-Based Interpolation and Geodesics in the Latent Spaces of Generative Models

Łukasz Struski, Michał Sadowski, Tomasz Danel +2

Interpolating between points is a problem connected simultaneously with finding geodesics and study of generative models. In the case of geodesics, we search for the curves with th…

cs.LG2019

Sliced generative models

Szymon Knop, Marcin Mazur, Jacek Tabor +2

In this paper we discuss a class of AutoEncoder based generative models based on one dimensional sliced approach. The idea is based on the reduction of the discrimination between s…

cs.LG2018

On Latent Distributions Without Finite Mean in Generative Models

Damian Leśniak, Igor Sieradzki, Igor Podolak

We investigate the properties of multidimensional probability distributions in the context of latent space prior distributions of implicit generative models. Our work revolves arou…

cs.LG2018★ 16 cited

Cramer-Wold AutoEncoder

Szymon Knop, Jacek Tabor, Przemysław Spurek +3

We propose a new generative model, Cramer-Wold Autoencoder (CWAE). Following WAE, we directly encourage normality of the latent space. Our paper uses also the recent idea from Slic…