Quantum machine learning requires powerful, flexible and efficiently trainable models to be successful in solving challenging problems. In this work, we present density quantum neural networks, a learning model incorporating randomisation over a set of trainable unitaries. These models generalise quantum neural networks using parameterised quantum circuits, and allow a trade-off between expressibility and efficient trainability, particularly on quantum hardware. We demonstrate the flexibility of the formalism by applying it to two recently proposed model families. The first are commuting-block quantum neural networks (QNNs) which are efficiently trainable but may be limited in expressibility. The second are orthogonal (Hamming-weight preserving) quantum neural networks which provide well-defined and interpretable transformations on data but are challenging to train at scale on quantum devices. Density commuting QNNs improve capacity with minimal gradient complexity overhead, and density orthogonal neural networks admit a quadratic-to-constant gradient query advantage with minimal to no performance loss. We conduct numerical experiments on synthetic translationally invariant data and MNIST image data with hyperparameter optimisation to support our findings. Finally, we discuss the connection to post-variational quantum neural networks, measurement-based quantum machine learning and the dropout mechanism.
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神經網絡（Neural Networks）是世界上三個最古老的神經建模學會的檔案期刊:國際神經網絡學會(INNS)、歐洲神經網絡學會(ENNS)和日本神經網絡學會(JNNS)。神經網絡提供了一個論壇，以發展和培育一個國際社會的學者和實踐者感興趣的所有方面的神經網絡和相關方法的計算智能。神經網絡歡迎高質量論文的提交，有助于全面的神經網絡研究，從行為和大腦建模，學習算法，通過數學和計算分析，系統的工程和技術應用，大量使用神經網絡的概念和技術。這一獨特而廣泛的范圍促進了生物和技術研究之間的思想交流，并有助于促進對生物啟發的計算智能感興趣的跨學科社區的發展。因此，神經網絡編委會代表的專家領域包括心理學，神經生物學，計算機科學，工程，數學，物理。該雜志發表文章、信件和評論以及給編輯的信件、社論、時事、軟件調查和專利信息。文章發表在五個部分之一:認知科學，神經科學，學習系統，數學和計算分析、工程和應用。
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We introduce a method based on Gaussian process regression to identify discrete variational principles from observed solutions of a field theory. The method is based on the data-based identification of a discrete Lagrangian density. It is a geometric machine learning technique in the sense that the variational structure of the true field theory is reflected in the data-driven model by design. We provide a rigorous convergence statement of the method. The proof circumvents challenges posed by the ambiguity of discrete Lagrangian densities in the inverse problem of variational calculus. Moreover, our method can be used to quantify model uncertainty in the equations of motions and any linear observable of the discrete field theory. This is illustrated on the example of the discrete wave equation and Schr\"odinger equation. The article constitutes an extension of our previous article arXiv:2404.19626 for the data-driven identification of (discrete) Lagrangians for variational dynamics from an ode setting to the setting of discrete pdes.
Several new geometric quantile-based measures for multivariate dispersion, skewness, kurtosis, and spherical asymmetry are defined. These measures differ from existing measures, which use volumes and are easy to calculate. Some theoretical justification is given, followed by experiments illustrating that they are reasonable measures of these distributional characteristics and computing confidence regions with the desired coverage.
In relational verification, judicious alignment of computational steps facilitates proof of relations between programs using simple relational assertions. Relational Hoare logics (RHL) provide compositional rules that embody various alignments of executions. Seemingly more flexible alignments can be expressed in terms of product automata based on program transition relations. A single degenerate alignment rule (self-composition), atop a complete Hoare logic, comprises a RHL for $\forall\forall$ properties that is complete in the ordinary logical sense (Cook'78). The notion of alignment completeness was previously proposed as a more satisfactory measure, and some rules were shown to be alignment complete with respect to a few ad hoc forms of alignment automata. This paper proves alignment completeness with respect to a general class of $\forall\forall$ alignment automata, for a RHL comprised of standard rules together with a rule of semantics-preserving rewrites based on Kleene algebra with tests. A new logic for $\forall\exists$ properties is introduced and shown to be alignment complete. The $\forall\forall$ and $\forall\exists$ automata are shown to be semantically complete. Thus the logics are both complete in the ordinary sense. Recent work by D'Osualdo et al highlights the importance of completeness relative to assumptions (which we term entailment completeness), and presents $\forall\forall$ examples seemingly beyond the scope of RHLs. Additional rules enable these examples to be proved in our RHL, shedding light on the open problem of entailment completeness.
Conventional intelligent systems based on deep neural network (DNN) models encounter challenges in achieving human-like continual learning due to catastrophic forgetting. Here, we propose a metaplasticity model inspired by human working memory, enabling DNNs to perform catastrophic forgetting-free continual learning without any pre- or post-processing. A key aspect of our approach involves implementing distinct types of synapses from stable to flexible, and randomly intermixing them to train synaptic connections with different degrees of flexibility. This strategy allowed the network to successfully learn a continuous stream of information, even under unexpected changes in input length. The model achieved a balanced tradeoff between memory capacity and performance without requiring additional training or structural modifications, dynamically allocating memory resources to retain both old and new information. Furthermore, the model demonstrated robustness against data poisoning attacks by selectively filtering out erroneous memories, leveraging the Hebb repetition effect to reinforce the retention of significant data.
A number of recent studies have proposed that linear representations are appropriate for solving nonlinear dynamical systems with quantum computers, which fundamentally act linearly on a wave function in a Hilbert space. Linear representations, such as the Koopman representation and Koopman von Neumann mechanics, have regained attention from the dynamical-systems research community. Here, we aim to present a unified theoretical framework, currently missing in the literature, with which one can compare and relate existing methods, their conceptual basis, and their representations. We also aim to show that, despite the fact that quantum simulation of nonlinear classical systems may be possible with such linear representations, a necessary projection into a feasible finite-dimensional space will in practice eventually induce numerical artifacts which can be hard to eliminate or even control. As a result, a practical, reliable and accurate way to use quantum computation for solving general nonlinear dynamical systems is still an open problem.
Discrete choice models with non-monotonic response functions are important in many areas of application, especially political sciences and marketing. This paper describes a novel unfolding model for binary data that allows for heavy-tailed shocks to the underlying utilities. One of our key contributions is a Markov chain Monte Carlo algorithm that requires little or no parameter tuning, fully explores the support of the posterior distribution, and can be used to fit various extensions of our core model that involve (Bayesian) hypothesis testing on the latent construct. Our empirical evaluations of the model and the associated algorithm suggest that they provide better complexity-adjusted fit to voting data from the United States House of Representatives.
Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. We present a survey of the most commonly used loss functions for a wide range of different applications, divided into classification, regression, ranking, sample generation and energy based modelling. Overall, we introduce 33 different loss functions and we organise them into an intuitive taxonomy. Each loss function is given a theoretical backing and we describe where it is best used. This survey aims to provide a reference of the most essential loss functions for both beginner and advanced machine learning practitioners.
Graph-centric artificial intelligence (graph AI) has achieved remarkable success in modeling interacting systems prevalent in nature, from dynamical systems in biology to particle physics. The increasing heterogeneity of data calls for graph neural architectures that can combine multiple inductive biases. However, combining data from various sources is challenging because appropriate inductive bias may vary by data modality. Multimodal learning methods fuse multiple data modalities while leveraging cross-modal dependencies to address this challenge. Here, we survey 140 studies in graph-centric AI and realize that diverse data types are increasingly brought together using graphs and fed into sophisticated multimodal models. These models stratify into image-, language-, and knowledge-grounded multimodal learning. We put forward an algorithmic blueprint for multimodal graph learning based on this categorization. The blueprint serves as a way to group state-of-the-art architectures that treat multimodal data by choosing appropriately four different components. This effort can pave the way for standardizing the design of sophisticated multimodal architectures for highly complex real-world problems.
This dissertation studies a fundamental open challenge in deep learning theory: why do deep networks generalize well even while being overparameterized, unregularized and fitting the training data to zero error? In the first part of the thesis, we will empirically study how training deep networks via stochastic gradient descent implicitly controls the networks' capacity. Subsequently, to show how this leads to better generalization, we will derive {\em data-dependent} {\em uniform-convergence-based} generalization bounds with improved dependencies on the parameter count. Uniform convergence has in fact been the most widely used tool in deep learning literature, thanks to its simplicity and generality. Given its popularity, in this thesis, we will also take a step back to identify the fundamental limits of uniform convergence as a tool to explain generalization. In particular, we will show that in some example overparameterized settings, {\em any} uniform convergence bound will provide only a vacuous generalization bound. With this realization in mind, in the last part of the thesis, we will change course and introduce an {\em empirical} technique to estimate generalization using unlabeled data. Our technique does not rely on any notion of uniform-convergece-based complexity and is remarkably precise. We will theoretically show why our technique enjoys such precision. We will conclude by discussing how future work could explore novel ways to incorporate distributional assumptions in generalization bounds (such as in the form of unlabeled data) and explore other tools to derive bounds, perhaps by modifying uniform convergence or by developing completely new tools altogether.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
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