bure distance
De-Individualizing fMRI Signals via Mahalanobis Whitening and Bures Geometry
Jacobson, Aaron, Dan, Tingting, Styner, Martin, Wu, Guorong, Kovalsky, Shahar, Moosmueller, Caroline
Functional connectivity has been widely investigated to understand brain disease in clinical studies and imaging-based neuroscience, and analyzing changes in functional connectivity has proven to be valuable for understanding and computationally evaluating the effects on brain function caused by diseases or experimental stimuli. By using Mahalanobis data whitening prior to the use of dimensionality reduction algorithms, we are able to distill meaningful information from fMRI signals about subjects and the experimental stimuli used to prompt them. Furthermore, we offer an interpretation of Mahalanobis whitening as a two-stage de-individualization of data which is motivated by similarity as captured by the Bures distance, which is connected to quantum mechanics. These methods have potential to aid discoveries about the mechanisms that link brain function with cognition and behavior and may improve the accuracy and consistency of Alzheimer's diagnosis, especially in the preclinical stage of disease progression.
Q-SafeML: Safety Assessment of Quantum Machine Learning via Quantum Distance Metrics
Dunn, Oliver, Aslansefat, Koorosh, Papadopoulos, Yiannis
The rise of machine learning in safety-critical systems has paralleled advancements in quantum computing, leading to the emerging field of Quantum Machine Learning (QML). While safety monitoring has progressed in classical ML, existing methods are not directly applicable to QML due to fundamental differences in quantum computation. Given the novelty of QML, dedicated safety mechanisms remain underdeveloped. This paper introduces Q-SafeML, a safety monitoring approach for QML. The method builds on SafeML, a recent method that utilizes statistical distance measures to assess model accuracy and provide confidence in the reasoning of an algorithm. An adapted version of Q-SafeML incorporates quantum-centric distance measures, aligning with the probabilistic nature of QML outputs. This shift to a model-dependent, post-classification evaluation represents a key departure from classical SafeML, which is dataset-driven and classifier-agnostic. The distinction is motivated by the unique representational constraints of quantum systems, requiring distance metrics defined over quantum state spaces. Q-SafeML detects distances between operational and training data addressing the concept drifts in the context of QML. Experiments on QCNN and VQC Models show that this enables informed human oversight, enhancing system transparency and safety.
Comparing noisy neural population dynamics using optimal transport distances
Nejatbakhsh, Amin, Geadah, Victor, Williams, Alex H., Lipshutz, David
Biological and artificial neural systems form high-dimensional neural representations that underpin their computational capabilities. Methods for quantifying geometric similarity in neural representations have become a popular tool for identifying computational principles that are potentially shared across neural systems. These methods generally assume that neural responses are deterministic and static. However, responses of biological systems, and some artificial systems, are noisy and dynamically unfold over time. Furthermore, these characteristics can have substantial influence on a system's computational capabilities. Here, we demonstrate that existing metrics can fail to capture key differences between neural systems with noisy dynamic responses. We then propose a metric for comparing the geometry of noisy neural trajectories, which can be derived as an optimal transport distance between Gaussian processes. We use the metric to compare models of neural responses in different regions of the motor system and to compare the dynamics of latent diffusion models for text-to-image synthesis. Biological and artificial neural systems represent their environments and internal states as patterns of neural activity, or "neural representations". In an effort to understand general principals governing these representations, a large body of work has sought to quantify the extent to which they are similar across systems (Klabunde et al., 2023). Most of these existing (dis)similarity measures assume that neural activities are deterministic and static.
Duality of Bures and Shape Distances with Implications for Comparing Neural Representations
Harvey, Sarah E., Larsen, Brett W., Williams, Alex H.
A multitude of (dis)similarity measures between neural network representations have been proposed, resulting in a fragmented research landscape. Most of these measures fall into one of two categories. First, measures such as linear regression, canonical correlations analysis (CCA), and shape distances, all learn explicit mappings between neural units to quantify similarity while accounting for expected invariances. Second, measures such as representational similarity analysis (RSA), centered kernel alignment (CKA), and normalized Bures similarity (NBS) all quantify similarity in summary statistics, such as stimulus-by-stimulus kernel matrices, which are already invariant to expected symmetries. Here, we take steps towards unifying these two broad categories of methods by observing that the cosine of the Riemannian shape distance (from category 1) is equal to NBS (from category 2). We explore how this connection leads to new interpretations of shape distances and NBS, and draw contrasts of these measures with CKA, a popular similarity measure in the deep learning literature.
Tomography of Quantum States from Structured Measurements via quantum-aware transformer
Ma, Hailan, Sun, Zhenhong, Dong, Daoyi, Chen, Chunlin, Rabitz, Herschel
Quantum state tomography (QST) is the process of reconstructing the state of a quantum system (mathematically described as a density matrix) through a series of different measurements, which can be solved by learning a parameterized function to translate experimentally measured statistics into physical density matrices. However, the specific structure of quantum measurements for characterizing a quantum state has been neglected in previous work. In this paper, we explore the similarity between highly structured sentences in natural language and intrinsically structured measurements in QST. To fully leverage the intrinsic quantum characteristics involved in QST, we design a quantum-aware transformer (QAT) model to capture the complex relationship between measured frequencies and density matrices. In particular, we query quantum operators in the architecture to facilitate informative representations of quantum data and integrate the Bures distance into the loss function to evaluate quantum state fidelity, thereby enabling the reconstruction of quantum states from measured data with high fidelity. Extensive simulations and experiments (on IBM quantum computers) demonstrate the superiority of the QAT in reconstructing quantum states with favorable robustness against experimental noise.
The Bures Metric for Taming Mode Collapse in Generative Adversarial Networks
De Meulemeester, Hannes, Schreurs, Joachim, Fanuel, Michaël, De Moor, Bart, Suykens, Johan A. K.
Generative Adversarial Networks (GANs) are performant generative methods yielding high-quality samples. However, under certain circumstances, the training of GANs can lead to mode collapse or mode dropping, i.e. the generative models not being able to sample from the entire probability distribution. To address this problem, we use the last layer of the discriminator as a feature map to study the distribution of the real and the fake data. During training, we propose to match the real batch diversity to the fake batch diversity by using the Bures distance between covariance matrices in feature space. The computation of the Bures distance can be conveniently done in either feature space or kernel space in terms of the covariance and kernel matrix respectively. We observe that diversity matching reduces mode collapse substantially and has a positive effect on the sample quality. On the practical side, a very simple training procedure, that does not require additional hyperparameter tuning, is proposed and assessed on several datasets.