Abstract: Using a natural language (NL) latent presentation in the automated conversion of source code from a base programming language (e.g., C++) to a target programming language (e.g., Python). A base-to-NL model can be used to generate an NL latent representation by processing a base source code snippet in the base programming language. Further, an NL-to-target model can be used to generate a target source code snippet in the target programming language (that is functionally equivalent to the base source code snippet), by processing the NL latent representation. In some implementations, output(s) from the NL-to-target model indicate canonical representation(s) of variables, and in generating the target source code snippet, technique(s) are used to match those canonical representation(s) to variable(s) of the base source code snippet. In some implementations, multiple candidate target source code snippets are generated, and a subset (e.g., one) is selected based on evaluation(s).

Abstract: The present disclosure is directed to generative models for datasets constrained by marginal constraints. One method includes receiving a request to generate a target dataset based on a marginal constraint for a source dataset. A first object occurs at a source frequency in the source dataset. The marginal constraint indicates a target frequency for the first object. The source dataset encodes a set of co-occurrence frequencies for a plurality of object pairs. A source generative model is accessed. The source generative model includes a first module and a second module that are trained on the source dataset. The second module is updated based on the marginal constraint. An adapted generative model is generated that includes the first module and the updated second module. The target dataset is generated based on the adapted generative model. The first object occurs at the target frequency in the target dataset. The target dataset encodes the set of co-occurrence frequencies for the plurality of object pairs.

Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for generating data defining a graph. In one aspect, a method comprises: sequentially generating a respective edge set for each node in the graph, wherein for each of a plurality of nodes after a first node, generating the edge set for the node comprises: receiving a context embedding for the node that summarizes a respective edge set for each node that precedes the node; generating, based on the context embedding for the node: (i) a respective edge set for the node, and (ii) a respective embedding of the edge set for the node; generating a context embedding for a next node in the ordering of the nodes using the embedding of the edge set for the node; and adding the set of edges defined by the edge set for the node to the graph.

Abstract: Provided are computing systems, methods, and platforms for negative sampling in knowledge graphs with improved efficiency. A knowledge graph comprising entities and links between the entities can be obtained. A query computation graph comprising nodes and edges can be generated based on the knowledge graph. The nodes of the query computation graph can include anchor nodes, a root node, and intermediate nodes positioned in paths between the anchor nodes and the root node. A node cut of a query of the query computation graph can be determined and can include at least one node that cuts at least one path between each anchor node and the root node of the query computation graph. Negative samples can be identified by bidirectionally traversing the query computation graph in a first direction from the anchor nodes to the node cut and in a second direction from the root node to the node cut.

Abstract: Methods, systems, and apparatus, including computer programs encoded on computer storage media, for performing retrosynthesis using a neural network. One of the methods includes generating a prediction of a set of a plurality of predicted reactants that are combinable to generate a target compound, the generating comprising processing, for each of a plurality of candidate sets of reactants, a network input characterizing the candidate set using a neural network, determining, for each candidate set of the plurality of candidate sets, a score using the generated probabilities; and selecting a particular candidate set of one or more reactants using the determined scores.

Abstract: Using a natural language (NL) latent presentation in the automated conversion of source code from a base programming language (e.g., C++) to a target programming language (e.g., Python). A base-to-NL model can be used to generate an NL latent representation by processing a base source code snippet in the base programming language. Further, an NL-to-target model can be used to generate a target source code snippet in the target programming language (that is functionally equivalent to the base source code snippet), by processing the NL latent representation. In some implementations, output(s) from the NL-to-target model indicate canonical representation(s) of variables, and in generating the target source code snippet, technique(s) are used to match those canonical representation(s) to variable(s) of the base source code snippet. In some implementations, multiple candidate target source code snippets are generated, and a subset (e.g., one) is selected based on evaluation(s).

Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for selecting actions to be performed by an agent interacting with an environment. In one aspect, a method comprises: obtaining a graph of nodes and edges that represents an interaction history of the agent with the environment; generating an encoded representation of the graph representing the interaction history of the agent with the environment; processing an input based on the encoded representation of the graph using an action selection neural network, in accordance with current values of action selection neural network parameters, to generate an action selection output; and selecting an action from a plurality of possible actions to be performed by the agent using the action selection output generated by the action selection neural network.

Abstract: The present disclosure is directed to machine learning model architectures which provide full attention capability in each attention head while maintaining low computation and memory complexity. Specifically, according to one aspect of the present disclosure, example attention models provided herein can treat the self-attention mechanism as a conditional expectation over embeddings at each location and approximate the conditional distribution with a structured factorization. Each location can attend to all other locations, either via direct attention, or through indirect attention to group representations, which are again conditional expectations of embeddings from corresponding local regions.

Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for generating data defining a graph. In one aspect, a method comprises: sequentially generating a respective edge set for each node in the graph, wherein for each of a plurality of nodes after a first node, generating the edge set for the node comprises: receiving a context embedding for the node that summarizes a respective edge set for each node that precedes the node; generating, based on the context embedding for the node: (i) a respective edge set for the node, and (ii) a respective embedding of the edge set for the node; generating a context embedding for a next node in the ordering of the nodes using the embedding of the edge set for the node; and adding the set of edges defined by the edge set for the node to the graph.

Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for generative modelling of an exchangeable sets. Methods can include obtaining a dataset of training observations. Each training observation is an exchangeable set that includes a plurality of data points. Each training observations is processed using a first neural network to generate parameters of a first probability distribution based on which a latent variable is sampled. The latent variable is processed using a second neural network to generate a new observation that includes a plurality of data points. The training observation and the new observation is processed using an energy neural network to generate an estimate of an energy of the training observation and the new observation. The energy neural network is then trained to optimize an objective function that measures the difference between the estimate of the energy of the training observation and the new observation.

Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for selecting actions to be performed by an agent interacting with an environment. In one aspect, a method comprises: obtaining a graph of nodes and edges that represents an interaction history of the agent with the environment; generating an encoded representation of the graph representing the interaction history of the agent with the environment; processing an input based on the encoded representation of the graph using an action selection neural network, in accordance with current values of action selection neural network parameters, to generate an action selection output; and selecting an action from a plurality of possible actions to be performed by the agent using the action selection output generated by the action selection neural network.