相关论文: GEN: Highly Efficient SMILES Explorer Using Autodi…

A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit…

Modeling the distribution of natural images is challenging, partly because of strong statistical dependencies which can extend over hundreds of pixels. Recurrent neural networks have been successful in capturing long-range dependencies in a…

We show how a neural network can be trained on individual intrusive listening test scores to predict a distribution of scores for each pair of reference and coded input stereo or binaural signals. We nickname this method the Generative…

The rapid progression of Generative Adversarial Networks (GANs) has raised a concern of their misuse for malicious purposes, especially in creating fake face images. Although many proposed methods succeed in detecting GAN-based synthetic…

Memory units have been widely used to enrich the capabilities of deep networks on capturing long-term dependencies in reasoning and prediction tasks, but little investigation exists on deep generative models (DGMs) which are good at…

Score-based generative models can produce high quality image samples comparable to GANs, without requiring adversarial optimization. However, existing training procedures are limited to images of low resolution (typically below 32x32), and…

We seek to automate the design of molecules based on specific chemical properties. Our primary contributions are a simpler method for generating SMILES strings guaranteed to be chemically valid, using a combination of a new context-free…

We train deep learning models on thousands of galaxy catalogues from the state-of-the-art hydrodynamic simulations of the CAMELS project to perform regression and inference. We employ Graph Neural Networks (GNNs), architectures designed to…

Generative retrieval shed light on a new paradigm of document retrieval, aiming to directly generate the identifier of a relevant document for a query. While it takes advantage of bypassing the construction of auxiliary index structures,…

Generative neural networks are able to mimic intricate probability distributions such as those of handwritten text, natural images, etc. Since their inception several models were proposed. The most successful of these were based on…

While large language models (LLMs) challenge conventional methods of teaching and learning, they present an exciting opportunity to improve efficiency and scale high-quality instruction. One promising application is the generation of…

Designing plausible network models typically requires scholars to form a priori intuitions on the key drivers of network formation. Oftentimes, these intuitions are supported by the statistical estimation of a selection of network evolution…

In this paper, we address the task of semantic-guided image generation. One challenge common to most existing image-level generation methods is the difficulty in generating small objects and detailed local textures. To address this, in this…

Growing interest in modelling complex systems from brains to societies to cities using networks has led to increased efforts to describe generative processes that explain those networks. Recent successes in machine learning have prompted…

Deep generative models have been applied with increasing success to the generation of two dimensional molecules as SMILES strings and molecular graphs. In this work we describe for the first time a deep generative model that can generate 3D…

We study unsupervised learning by developing introspective generative modeling (IGM) that attains a generator using progressively learned deep convolutional neural networks. The generator is itself a discriminator, capable of introspection:…

This article presents GenSQL, a probabilistic programming system for querying probabilistic generative models of database tables. By augmenting SQL with only a few key primitives for querying probabilistic models, GenSQL enables complex…

Learning from noisy labels is a challenge that arises in many real-world applications where training data can contain incorrect or corrupted labels. When fine-tuning language models with noisy labels, models can easily overfit the label…

SMILES is a linear representation of chemical structures which encodes the connection table, and the stereochemistry of a molecule as a line of text with a grammar structure denoting atoms, bonds, rings and chains, and this information can…

The deep Convolutional Neural Network (CNN) is the state-of-the-art solution for large-scale visual recognition. Following basic principles such as increasing the depth and constructing highway connections, researchers have manually…