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Cross-encoder models, which jointly encode and score a query-item pair, are prohibitively expensive for direct k-nearest neighbor (k-NN) search. Consequently, k-NN search typically employs a fast approximate retrieval (e.g. using BM25 or dual-encoder vectors), followed by reranking with a cross-encoder; however, the retrieval approximation often has detrimental recall regret. This problem is tackled by ANNCUR (Yadav et al., 2022), a recent work that employs a cross-encoder only, making search efficient using a relatively small number of anchor items, and a CUR matrix factorization. While ANNCUR’s one-time selection of anchors tends to approximate the cross-encoder distances on average, doing so forfeits the capacity to accurately estimate distances to items near the query, leading to regret in the crucial end-task: recall of top-k items. In this paper, we propose ADACUR, a method that adaptively, iteratively, and efficiently minimizes the approximation error for the practically important top-k neighbors. It does so by iteratively performing k-NN search using the anchors available so far, then adding these retrieved nearest neighbors to the anchor set for the next round. Empirically, on multiple datasets, in comparison to previous traditional and state-of-the-art methods such as ANNCUR and dual-encoder-based retrieve-and-rerank, our proposed approach ADACUR consistently reduces recall error—by up to 70% on the important k = 1 setting—while using no more compute than its competitors. 

Efficient k-nearest neighbor search is a fundamental task, foundational for many problems in NLP. When the similarity is measured by dot-product between dual-encoder vectors or L2-distance, there already exist many scalable and efficient search methods. But not so when similarity is measured by more accurate and expensive black-box neural similarity models, such as cross-encoders, which jointly encode the query and candidate neighbor. The cross-encoders’ high computational cost typically limits their use to reranking candidates retrieved by a cheaper model, such as dual encoder or TF-IDF. However, the accuracy of such a two-stage approach is upper-bounded by the recall of the initial candidate set, and potentially requires additional training to align the auxiliary retrieval model with the cross-encoder model. In this paper, we present an approach that avoids the use of a dual-encoder for retrieval, relying solely on the cross-encoder. Retrieval is made efficient with CUR decomposition, a matrix decomposition approach that approximates all pairwise cross-encoder distances from a small subset of rows and columns of the distance matrix. Indexing items using our approach is computationally cheaper than training an auxiliary dual-encoder model through distillation. Empirically, for k > 10, our approach provides test-time recall-vs-computational cost trade-offs superior to the current widely-used methods that re-rank items retrieved using a dual-encoder or TF-IDF. 

Hierarchical clusterings compactly encode multiple granularities of clusters within a tree structure. Hierarchies, by definition, fail to capture different flat partitions that are not subsumed in one another. In this paper, we advocate for an alternative structure for representing multiple clusterings, a directed acyclic graph (DAG). By allowing nodes to have multiple parents, DAG structures are not only more flexible than trees, but also allow for points to be members of multiple clusters. We describe a scalable algorithm, Llama, which simply merges nearest neighbor substructures to form a DAG structure. Llama discovers structures that are more accurate than state-of-the-art tree-based techniques while remaining scalable to large-scale clustering benchmarks. Additionally, we support the proposed algorithm with theoretical guarantees on separated data, including types of data that cannot be correctly clustered by tree-based algorithms. 

The applicability of agglomerative clustering, for inferring both hierarchical and flat clustering, is limited by its scalability. Existing scalable hierarchical clustering methods sacrifice quality for speed and often lead to over-merging of clusters. In this paper, we present a scalable, agglomerative method for hierarchical clustering that does not sacrifice quality and scales to billions of data points. We perform a detailed theoretical analysis, showing that under mild separability conditions our algorithm can not only recover the optimal flat partition but also provide a two-approximation to non-parametric DP-Means objective. This introduces a novel application of hierarchical clustering as an approximation algorithm for the non-parametric clustering objective. We additionally relate our algorithm to the classic hierarchical agglomerative clustering method. We perform extensive empirical experiments in both hierarchical and flat clustering settings and show that our proposed approach achieves state-of-the-art results on publicly available clustering benchmarks. Finally, we demonstrate our method's scalability by applying it to a dataset of 30 billion queries. Human evaluation of the discovered clusters show that our method finds better quality of clusters than the current state-of-the-art. 

Hierarchical clustering is a critical task in numerous domains. Many approaches are based on heuristics and the properties of the resulting clusterings are studied post hoc. However, in several applications, there is a natural cost function that can be used to characterize the quality of the clustering. In those cases, hierarchical clustering can be seen as a combinatorial optimization problem. To that end, we introduce a new approach based on A* search. We overcome the prohibitively large search space by combining A* with a novel \emph{trellis} data structure. This combination results in an exact algorithm that scales beyond previous state of the art, from a search space with 10^12 trees to 10^15 trees, and an approximate algorithm that improves over baselines, even in enormous search spaces that contain more than 10^1000 trees. We empirically demonstrate that our method achieves substantially higher quality results than baselines for a particle physics use case and other clustering benchmarks. We describe how our method provides significantly improved theoretical bounds on the time and space complexity of A* for clustering.