In this work, scalable quantum neural networks are introduced to approximate unitary evolutions through the Standard Recursive Block Basis (SRBB) and, subsequently, redesigned with a reduced number of CNOTs. This algebraic approach to the problem of unitary synthesis exploits Lie algebras and their topological features to obtain scalable parameterizations of unitary operators. First, the recursive algorithm that builds the SRBB is presented, framed in the original scalability scheme already known to the literature only from a theoretical point of view. Unexpectedly, 2-qubit systems emerge as a special case outside this scheme. Furthermore, an algorithm to reduce the number of CNOTs is proposed, thus deriving a new implementable scaling scheme that requires one single layer of approximation. From the mathematical algorithm, the scalable CNOT-reduced quantum neural network is implemented and its performance is assessed with a variety of different unitary matrices, both sparse and dense, up to 6 qubits via the PennyLane library. The effectiveness of the approximation is measured with different metrics in relation to two optimizers: a gradient-based method and the Nelder-Mead method. The approximate SRBB-based synthesis algorithm with CNOT-reduction is also tested on real hardware and compared with other valid approximation and decomposition methods available in the literature.

Stochastic Gradient Descent (SGD) is the main approach to optimizing neural networks. Several generalization properties of deep networks, such as convergence to a flatter minima, are believed to arise from SGD. This article explores the causality aspect of gradient descent. Specifically, we show that the gradient descent procedure has an implicit granger-causal relationship between the reduction in loss and a change in parameters. By suitable modifications, we make this causal relationship explicit. A causal approach to gradient descent has many significant applications which allow greater control. In this article, we illustrate the significance of the causal approach using the application of Pruning. The causal approach to pruning has several interesting properties - (i) We observe a phase shift as the percentage of pruned parameters increase. Such phase shift is indicative of an optimal pruning strategy.

Kolmogorov-Arnold Network (KAN) is a network structure recently proposed by Liu et al. (2024) that offers improved interpretability and a more parsimonious design in many science-oriented tasks compared to multi-layer perceptrons. This work provides a rigorous theoretical analysis of KAN by establishing generalization bounds for KAN equipped with activation functions that are either represented by linear combinations of basis functions or lying in a low-rank Reproducing Kernel Hilbert Space (RKHS). In the first case, the generalization bound accommodates various choices of basis functions in forming the activation functions in each layer of KAN and is adapted to different operator norms at each layer. For a particular choice of operator norms, the bound scales with the $l_1$ norm of the coefficient matrices and the Lipschitz constants for the activation functions, and it has no dependence on combinatorial parameters (e.g., number of nodes) outside of logarithmic factors. Moreover, our result does not require the boundedness assumption on the loss function and, hence, is applicable to a general class of regression-type loss functions. In the low-rank case, the generalization bound scales polynomially with the underlying ranks as well as the Lipschitz constants of the activation functions in each layer. These bounds are empirically investigated for KANs trained with stochastic gradient descent on simulated and real data sets. The numerical results demonstrate the practical relevance of these bounds.

Adversarial attacks pose significant challenges in many machine learning applications, particularly in the setting of distributed training and federated learning, where malicious agents seek to corrupt the training process with the goal of jeopardizing and compromising the performance and reliability of the final models. In this paper, we address the problem of robust federated learning in the presence of such attacks by formulating the training task as a bi-level optimization problem. We conduct a theoretical analysis of the resilience of consensus-based bi-level optimization (CB$^2$O), an interacting multi-particle metaheuristic optimization method, in adversarial settings. Specifically, we provide a global convergence analysis of CB$^2$O in mean-field law in the presence of malicious agents, demonstrating the robustness of CB$^2$O against a diverse range of attacks. Thereby, we offer insights into how specific hyperparameter choices enable to mitigate adversarial effects. On the practical side, we extend CB$^2$O to the clustered federated learning setting by proposing FedCB$^2$O, a novel interacting multi-particle system, and design a practical algorithm that addresses the demands of real-world applications. Extensive experiments demonstrate the robustness of the FedCB$^2$O algorithm against label-flipping attacks in decentralized clustered federated learning scenarios, showcasing its effectiveness in practical contexts.

Many challenges in science and engineering, such as drug discovery and communication network design, involve optimizing complex and expensive black-box functions across vast search spaces. Thus, it is essential to leverage existing data to avoid costly active queries of these black-box functions. To this end, while Offline Black-Box Optimization (BBO) is effective for deterministic problems, it may fall short in capturing the stochasticity of real-world scenarios. To address this, we introduce Stochastic Offline BBO (SOBBO), which tackles both black-box objectives and uncontrolled uncertainties. We propose two solutions: for large-data regimes, a differentiable surrogate allows for gradient-based optimization, while for scarce-data regimes, we directly estimate gradients under conservative field constraints, improving robustness, convergence, and data efficiency. Numerical experiments demonstrate the effectiveness of our approach on both synthetic and real-world tasks.

Auditing Differentially Private Stochastic Gradient Descent (DP-SGD) in the final model setting is challenging and often results in empirical lower bounds that are significantly looser than theoretical privacy guarantees. We introduce a novel auditing method that achieves tighter empirical lower bounds without additional assumptions by crafting worst-case adversarial samples through loss-based inputspace auditing. Our approach surpasses traditional canary-based heuristics and is effective in both white-box and black-box scenarios. Specifically, with a theoretical privacy budget of ε = 10.0, our method achieves empirical lower bounds of 6.68 in white-box settings and 4.51 in black-box settings, compared to the baseline of 4.11 for MNIST. Moreover, we demonstrate that significant privacy auditing results can be achieved using in-distribution (ID) samples as canaries, obtaining an empirical lower bound of 4.33 where traditional methods produce near-zero leakage detection. Our work offers a practical framework for reliable and accurate privacy auditing in differentially private machine learning.

We study how to synthesize a robust and safe policy for autonomous systems under signal temporal logic (STL) tasks in adversarial settings against unknown dynamic agents. To ensure the worst-case STL satisfaction, we propose STLGame, a framework that models the multi-agent system as a two-player zero-sum game, where the ego agents try to maximize the STL satisfaction and other agents minimize it. STLGame aims to find a Nash equilibrium policy profile, which is the best case in terms of robustness against unseen opponent policies, by using the fictitious self-play (FSP) framework. FSP iteratively converges to a Nash profile, even in games set in continuous state-action spaces. We propose a gradient-based method with differentiable STL formulas, which is crucial in continuous settings to approximate the best responses at each iteration of FSP. We show this key aspect experimentally by comparing with reinforcement learning-based methods to find the best response. Experiments on two standard dynamical system benchmarks, Ackermann steering vehicles and autonomous drones, demonstrate that our converged policy is almost unexploitable and robust to various unseen opponents' policies. All code and additional experimental results can be found on our project website: https://sites.google.com/view/stlgame

Langevin algorithms are popular Markov Chain Monte Carlo methods for Bayesian learning, particularly when the aim is to sample from the posterior distribution of a parametric model, given the input data and the prior distribution over the model parameters. Their stochastic versions such as stochastic gradient Langevin dynamics (SGLD) allow iterative learning based on randomly sampled mini-batches of large datasets and are scalable to large datasets. However, when data is decentralized across a network of agents subject to communication and privacy constraints, standard SGLD algorithms cannot be applied. Instead, we employ decentralized SGLD (DE-SGLD) algorithms, where Bayesian learning is performed collaboratively by a network of agents without sharing individual data. Nonetheless, existing DE-SGLD algorithms induce a bias at every agent that can negatively impact performance; this bias persists even when using full batches and is attributable to network effects. Motivated by the EXTRA algorithm and its generalizations for decentralized optimization, we propose the generalized EXTRA stochastic gradient Langevin dynamics, which eliminates this bias in the full-batch setting. Moreover, we show that, in the mini-batch setting, our algorithm provides performance bounds that significantly improve upon those of standard DE-SGLD algorithms in the literature. Our numerical results also demonstrate the efficiency of the proposed approach.

Adaptive gradient optimization methods, such as Adam, are prevalent in training deep neural networks across diverse machine learning tasks due to their ability to achieve faster convergence. However, these methods often suffer from suboptimal generalization compared to stochastic gradient descent (SGD) and exhibit instability, particularly when training Transformer models. In this work, we show the standard initialization of the second-order moment estimation ($v_0 =0$) as a significant factor contributing to these limitations. We introduce simple yet effective solutions: initializing the second-order moment estimation with non-zero values, using either data-driven or random initialization strategies. Empirical evaluations demonstrate that our approach not only stabilizes convergence but also enhances the final performance of adaptive gradient optimizers. Furthermore, by adopting the proposed initialization strategies, Adam achieves performance comparable to many recently proposed variants of adaptive gradient optimization methods, highlighting the practical impact of this straightforward modification.

In this paper, we present a novel analysis of FedAvg with constant step size, relying on the Markov property of the underlying process. We demonstrate that the global iterates of the algorithm converge to a stationary distribution and analyze its resulting bias and variance relative to the problem's solution. We provide a first-order expansion of the bias in both homogeneous and heterogeneous settings. Interestingly, this bias decomposes into two distinct components: one that depends solely on stochastic gradient noise and another on client heterogeneity. Finally, we introduce a new algorithm based on the Richardson-Romberg extrapolation technique to mitigate this bias.