Federated Learning (FL) is a machine learning approach that enables the creation of shared models for powerful applications while allowing data to remain on devices. This approach provides benefits such as improved data privacy, security, and reduced latency. However, in some systems, direct communication between clients and servers may not be possible, such as remote areas without proper communication infrastructure. To overcome this challenge, a new framework called FedEx (Federated Learning via Model Express Delivery) is proposed. This framework employs mobile transporters, such as UAVs, to establish indirect communication channels between the server and clients. These transporters act as intermediaries and allow for model information exchange. The use of indirect communication presents new challenges for convergence analysis and optimization, as the delay introduced by the transporters' movement creates issues for both global model dissemination and local model collection. To address this, two algorithms, FedEx-Sync and FedEx-Async, are proposed for synchronized and asynchronized learning at the transporter level. Additionally, a bi-level optimization algorithm is proposed to solve the joint client assignment and route planning problem. Experimental validation using two public datasets in a simulated network demonstrates consistent results with the theory, proving the efficacy of FedEx.

Variational quantum algorithms are the leading candidate for advantage on near-term quantum hardware. When training a parametrized quantum circuit in this setting to solve a specific problem, the choice of ansatz is one of the most important factors that determines the trainability and performance of the algorithm. In quantum machine learning (QML), however, the literature on ansatzes that are motivated by the training data structure is scarce. In this work, we introduce an ansatz for learning tasks on weighted graphs that respects an important graph symmetry, namely equivariance under node permutations. We evaluate the performance of this ansatz on a complex learning task, namely neural combinatorial optimization, where a machine learning model is used to learn a heuristic for a combinatorial optimization problem. We analytically and numerically study the performance of our model, and our results strengthen the notion that symmetry-preserving ansatzes are a key to success in QML.

In recent years, model-agnostic meta-learning (MAML) has become a popular research area. However, the stochastic optimization of MAML is still underdeveloped. Existing MAML algorithms rely on the "episode" idea by sampling a few tasks and data points to update the meta-model at each iteration. Nonetheless, these algorithms either fail to guarantee convergence with a constant mini-batch size or require processing a large number of tasks at every iteration, which is unsuitable for continual learning or cross-device federated learning where only a small number of tasks are available per iteration or per round. To address these issues, this paper proposes memory-based stochastic algorithms for MAML that converge with vanishing error. The proposed algorithms require sampling a constant number of tasks and data samples per iteration, making them suitable for the continual learning scenario. Moreover, we introduce a communication-efficient memory-based MAML algorithm for personalized federated learning in cross-device (with client sampling) and cross-silo (without client sampling) settings. Our theoretical analysis improves the optimization theory for MAML, and our empirical results corroborate our theoretical findings. Interested readers can access our code at https://github.com/bokun-wang/moml.

This paper considers the robust phase retrieval problem, which can be cast as a nonsmooth and nonconvex optimization problem. We propose a new inexact proximal linear algorithm with the subproblem being solved inexactly. Our contributions are two adaptive stopping criteria for the subproblem. The convergence behavior of the proposed methods is analyzed. Through experiments on both synthetic and real datasets, we demonstrate that our methods are much more efficient than existing methods, such as the original proximal linear algorithm and the subgradient method.

A digital twin (DT) leverages a virtual representation of the physical world, along with communication (e.g., 6G), computing (e.g., edge computing), and artificial intelligence (AI) technologies to enable many connected intelligence services. In order to handle the large amounts of network data based on digital twins (DTs), wireless systems can exploit the paradigm of semantic communication (SC) for facilitating informed decision-making under strict communication constraints by utilizing AI techniques such as causal reasoning. In this paper, a novel framework called causal semantic communication (CSC) is proposed for DT-based wireless systems. The CSC system is posed as an imitation learning (IL) problem, where the transmitter, with access to optimal network control policies using a DT, teaches the receiver using SC over a bandwidth limited wireless channel how to improve its knowledge to perform optimal control actions. The causal structure in the source data is extracted using novel approaches from the framework of deep end-to-end causal inference, thereby enabling the creation of a semantic representation that is causally invariant, which in turn helps generalize the learned knowledge of the system to unseen scenarios. The CSC decoder at the receiver is designed to extract and estimate semantic information while ensuring high semantic reliability. The receiver control policies, semantic decoder, and causal inference are formulated as a bi-level optimization problem within a variational inference framework. This problem is solved using a novel concept called network state models, inspired from world models in generative AI, that faithfully represents the environment dynamics leading to data generation. Simulation results demonstrate that the proposed CSC system outperforms state-of-the-art SC systems by achieving better semantic reliability and reduced semantic representation.

We consider the problem of solving LP relaxations of MAP-MRF inference problems, and in particular the method proposed recently in (Swoboda, Kolmogorov 2019; Kolmogorov, Pock 2021). As a key computational subroutine, it uses a variant of the Frank-Wolfe (FW) method to minimize a smooth convex function over a combinatorial polytope. We propose an efficient implementation of this subproutine based on in-face Frank-Wolfe directions, introduced in (Freund et al. 2017) in a different context. More generally, we define an abstract data structure for a combinatorial subproblem that enables in-face FW directions, and describe its specialization for tree-structured MAP-MRF inference subproblems. Experimental results indicate that the resulting method is the current state-of-art LP solver for some classes of problems. Our code is available at https://pub.ist.ac.at/~vnk/papers/IN-FACE-FW.html.

Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset, often unavailable in real-world generation tasks. In this work, we propose a new retrieval-based framework for controllable molecule generation. We use a small set of exemplar molecules, i.e., those that (partially) satisfy the design criteria, to steer the pre-trained generative model towards synthesizing molecules that satisfy the given design criteria. We design a retrieval mechanism that retrieves and fuses the exemplar molecules with the input molecule, which is trained by a new self-supervised objective that predicts the nearest neighbor of the input molecule. We also propose an iterative refinement process to dynamically update the generated molecules and retrieval database for better generalization. Our approach is agnostic to the choice of generative models and requires no task-specific fine-tuning. On various tasks ranging from simple design criteria to a challenging real-world scenario for designing lead compounds that bind to the SARS-CoV-2 main protease, we demonstrate our approach extrapolates well beyond the retrieval database, and achieves better performance and wider applicability than previous methods. Code is available at https://github.com/NVlabs/RetMol.

Classical policy search algorithms for robotics typically require performing extensive explorations, which are time-consuming and expensive to implement with real physical platforms. To facilitate the efficient learning of robot manipulation skills, in this work, we propose a new approach comprised of three modules: (1) learning of general prior knowledge with random explorations in simulation, including state representations, dynamic models, and the constrained action space of the task; (2) extraction of a state alignment-based reward function from a single demonstration video; (3) real-time optimization of the imitation policy under systematic safety constraints with sampling-based model predictive control. This solution results in an efficient one-shot imitation-from-video strategy that simplifies the learning and execution of robot skills in real applications. Specifically, we learn priors in a scene of a task family and then deploy the policy in a novel scene immediately following a single demonstration, preventing time-consuming and risky explorations in the environment. As we do not make a strong assumption of dynamic consistency between the scenes, learning priors can be conducted in simulation to avoid collecting data in real-world circumstances. We evaluate the effectiveness of our approach in the context of contact-rich fabric manipulation, which is a common scenario in industrial and domestic tasks. Detailed numerical simulations and real-world hardware experiments reveal that our method can achieve rapid skill acquisition for challenging manipulation tasks.

The Frank-Wolfe (FW) method is a popular approach for solving optimization problems with structured constraints that arise in machine learning applications. In recent years, stochastic versions of FW have gained popularity, motivated by large datasets for which the computation of the full gradient is prohibitively expensive. In this paper, we present two new variants of the FW algorithms for stochastic finite-sum minimization. Our algorithms have the best convergence guarantees of existing stochastic FW approaches for both convex and non-convex objective functions. Our methods do not have the issue of permanently collecting large batches, which is common to many stochastic projection-free approaches. Moreover, our second approach does not require either large batches or full deterministic gradients, which is a typical weakness of many techniques for finite-sum problems. The faster theoretical rates of our approaches are confirmed experimentally.

In this paper, we introduce Optimal Classification Forests, a new family of classifiers that takes advantage of an optimal ensemble of decision trees to derive accurate and interpretable classifiers. We propose a novel mathematical optimization-based methodology in which a given number of trees are simultaneously constructed, each of them providing a predicted class for the observations in the feature space. The classification rule is derived by assigning to each observation its most frequently predicted class among the trees in the forest. We provide a mixed integer linear programming formulation for the problem. We report the results of our computational experiments, from which we conclude that our proposed method has equal or superior performance compared with state-of-the-art tree-based classification methods. More importantly, it achieves high prediction accuracy with, for example, orders of magnitude fewer trees than random forests. We also present three real-world case studies showing that our methodology has very interesting implications in terms of interpretability.