Although GNNs are powerful tools for these "forward" prediction tasks, few works discuss the "backward" (or inverse) problem defined on trained GNNs.

This proposal is shown in the bottom half of Figure 1, for a sequence-to-sequence encoder-decoder architecture. We call this proposed architecture adifferentiable search index(DSI), and implement it with a largepre-trained Transformer (Vaswanietal.,2017)model,

Storing and processing of embedding vectors by specialized Vector databases (VDBs) has become the linchpin in building modern AI pipelines. Most current VDBs employ variants of a graph-based ap- proximate nearest-neighbor (ANN) index algorithm, HNSW, to an- swer semantic queries over stored vectors. Inspite of its wide-spread use, the HNSW algorithm suffers from several issues: in-memory design and implementation, random memory accesses leading to degradation in cache behavior, limited acceleration scope due to fine-grained pairwise computations, and support of only semantic similarity queries. In this paper, we present a novel disk-based ANN index, B+ANN, to address these issues: it first partitions input data into blocks containing semantically similar items, then builds an B+ tree variant to store blocks both in-memory and on disks, and finally, enables hybrid edge- and block-based in-memory traversals. As demonstrated by our experimantal evaluation, the proposed B+ANN disk-based index improves both quality (Recall value), and execution performance (Queries per second/QPS) over HNSW, by improving spatial and temporal locality for semantic operations, reducing cache misses (19.23% relative gain), and decreasing the memory consumption and disk-based build time by 24x over the DiskANN algorithm. Finally, it enables dissimilarity queries, which are not supported by similarity-oriented ANN indices.

Retrieving graphs from a large corpus, that contain a subgraph isomorphic to a given query graph, is a core operation in many real-world applications. While recent multi-vector graph representations and scores based on set alignment and containment can provide accurate subgraph isomorphism tests, their use in retrieval remains limited by their need to score corpus graphs exhaustively. We introduce CORGII (Contextual Representation of Graphs for Inverted Indexing), a graph indexing framework in which, starting with a contextual dense graph representation, a differentiable discretization module computes sparse binary codes over a learned latent vocabulary. This text document-like representation allows us to leverage classic, highly optimized inverted indices, while supporting soft (vector) set containment scores. Pushing this paradigm further, we replace the classical, fixed impact weight of a `token' on a graph (such as TFIDF or BM25) with a data-driven, trainable impact weight. Finally, we explore token expansion to support multi-probing the index for smoother accuracy-efficiency tradeoffs. To our knowledge, CORGII is the first indexer of dense graph representations using discrete tokens mapping to efficient inverted lists. Extensive experiments show that CORGII provides better trade-offs between accuracy and efficiency, compared to several baselines.

The performance of Large Language Models (LLMs) is determined by their training data. Despite the proliferation of open-weight LLMs, access to LLM training data has remained limited. Even for fully open LLMs, the scale of the data makes it all but inscrutable to the general scientific community, despite potentially containing critical data scraped from the internet. In this paper, we present the full-text indexing pipeline for the Apertus LLM training data. Leveraging Elasticsearch parallel indices and the Alps infrastructure, a state-of-the-art, highly energy-efficient arm64 supercluster, we were able to index 8.6T tokens out of 15.2T used to train the Apertus LLM family, creating both a critical LLM safety tool and effectively an offline, curated, open web search engine. Our contribution is threefold. First, we demonstrate that Elasticsearch can be successfully ported onto next-generation arm64-based infrastructure. Second, we demonstrate that full-text indexing at the scale of modern LLM training datasets and the entire open web is feasible and accessible. Finally, we demonstrate that such indices can be used to ensure previously inaccessible jailbreak-agnostic LLM safety. We hope that our findings will be useful to other teams attempting large-scale data indexing and facilitate the general transition towards greener computation.

Although GNNs are powerful tools for these "forward" prediction tasks, few works discuss the "backward" (or inverse) problem defined on trained GNNs.

Experiments demonstrate that given appropriate design choices, DSI significantly outperforms strong baselines such as dual encoder models.