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Neural Information Processing Systems

We thank all the reviewers for their valuable comments. We carefully address all the raised issues accordingly below. We appreciate your positive feedback. Thank you for the comments. We will proofread and improve the readability.



Hierarchical topological clustering

Carpio, Ana, Duro, Gema

arXiv.org Machine Learning

Topological methods have the potential of exploring data clouds without making assumptions on their the structure. Here we propose a hierarchical topological clustering algorithm that can be implemented with any distance choice. The persistence of outliers and clusters of arbitrary shape is inferred from the resulting hierarchy. We demonstrate the potential of the algorithm on selected datasets in which outliers play relevant roles, consisting of images, medical and economic data. These methods can provide meaningful clusters in situations in which other techniques fail to do so.


Metric Transforms and Low Rank Representations of Kernels for Fast Attention

Neural Information Processing Systems

We introduce a new linear-algebraic tool based on group representation theory, and use it to address three key problems in machine learning.1. Past researchers have proposed fast attention algorithms for LLMs by approximating or replace softmax attention with other functions, such as low-degree polynomials. The key property of these functions is that, when applied entry-wise to the matrix $QK^{\top}$, the result is a low rank matrix when $Q$ and $K$ are $n \times d$ matrices and $n \gg d$. This suggests a natural question: what are all functions $f$ with this property? If other $f$ exist and are quickly computable, they can be used in place of softmax for fast subquadratic attention algorithms.


Quantum Feature Space of a Qubit Coupled to an Arbitrary Bath

Wise, Chris, Youssry, Akram, Peruzzo, Alberto, Plested, Jo, Woolley, Matt

arXiv.org Artificial Intelligence

Qubit control protocols have traditionally leveraged a characterisation of the qubit-bath coupling via its power spectral density. Previous work proposed the inference of noise operators that characterise the influence of a classical bath using a grey-box approach that combines deep neural networks with physics-encoded layers. This overall structure is complex and poses challenges in scaling and real-time operations. Here, we show that no expensive neural networks are needed and that this noise operator description admits an efficient parameterisation. We refer to the resulting parameter space as the \textit{quantum feature space} of the qubit dynamics resulting from the coupled bath. We show that the Euclidean distance defined over the quantum feature space provides an effective method for classifying noise processes in the presence of a given set of controls. Using the quantum feature space as the input space for a simple machine learning algorithm (random forest, in this case), we demonstrate that it can effectively classify the stationarity and the broad class of noise processes perturbing a qubit. Finally, we explore how control pulse parameters map to the quantum feature space.


CoreSPECT: Enhancing Clustering Algorithms via an Interplay of Density and Geometry

Mukherjee, Chandra Sekhar, Bae, Joonyoung, Zhang, Jiapeng

arXiv.org Artificial Intelligence

In this paper, we provide a novel perspective on the underlying structure of real-world data with ground-truth clusters via characterization of an abundantly observed yet often overlooked density-geometry correlation, that manifests itself as a multi-layered manifold structure. We leverage this correlation to design CoreSPECT (Core Space Projection based Enhancement of Clustering Techniques), a general framework that improves the performance of generic clustering algorithms. Our framework boosts the performance of clustering algorithms by applying them to strategically selected regions, then extending the partial partition to a complete partition for the dataset using a novel neighborhood graph based multi-layer propagation procedure. We provide initial theoretical support of the functionality of our framework under the assumption of our model, and then provide large-scale real-world experiments on 19 datasets that include standard image datasets as well as genomics datasets. We observe two notable improvements. First, CoreSPECT improves the NMI of K-Means by 20% on average, making it competitive to (and in some cases surpassing) the state-of-the-art manifold-based clustering algorithms, while being orders of magnitude faster. Secondly, our framework boosts the NMI of HDBSCAN by more than 100% on average, making it competitive to the state-of-the-art in several cases without requiring the true number of clusters and hyper-parameter tuning. The overall ARI improvements are higher.