Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a novel graph autoencoder that encodes and decodes graphs of varying sizes into a shared embedding space. GRALE is trained using an Optimal Transport-inspired loss that compares the original and reconstructed graphs and leverages a differentiable node matching module, which is trained jointly with the encoder and decoder. The proposed attention-based architecture relies on Evoformer, the core component of AlphaFold, which we extend to support both graph encoding and decoding. We show, in numerical experiments on simulated and molecular data, that GRALE enables a highly general form of pre-training, applicable to a wide range of downstream tasks, from classification and regression to more complex tasks such as graph interpolation, editing, matching, and prediction.1

Neural Information Processing Systems http://nips.cc/

Storing data in synthetic DNA offers the possibility of improving information density and durability by several orders of magnitude compared to current storage technologies. However, DNA data storage requires a computationally intensive process to retrieve the data. In particular, a crucial step in the data retrieval pipeline involves clustering billions of strings with respect to edit distance. Datasets in this domain have many notable properties, such as containing a very large number of small clusters that are well-separated in the edit distance metric space. In this regime, existing algorithms are unsuitable because of either their long running time or low accuracy. To address this issue, we present a novel distributed algorithm for approximately computing the underlying clusters.

We propose Any2Graph, a generic framework for end-to-end Supervised Graph Prediction (SGP) i.e. a deep learning model that predicts an entire graph for any kind of input.

Similarity search in graph databases is one of the most fundamental operations in graph analytics. Among various distance functions, graph and subgraph edit distances (GED and SED respectively) are two of the most popular and expressive measures. Unfortunately, exact computations for both are NP-hard. To overcome this computational bottleneck, neural approaches to learn and predict edit distance in polynomial time have received much interest. While considerable progress has been made, there exist limitations that need to be addressed.