In this paper, we study communication efficient distributed algorithms for distributionally robust federated learning via periodic averaging with adaptive sampling. In contrast to standard empirical risk minimization, due to the minimax structure of the underlying optimization problem, a key difficulty arises from the fact that the global parameter that controls the mixture of local losses can only be updated infrequently on the global stage. To compensate for this, we propose a Distributionally Robust Federated Averaging (DRFA) algorithm that employs a novel snapshotting scheme to approximate the accumulation of history gradients of the mixing parameter. We analyze the convergence rate of DRFA in both convex-linear and nonconvex-linear settings. We also generalize the proposed idea to objectives with regularization on the mixture parameter and propose a proximal variant, dubbed as DRFA-Prox, with provable convergence rates.

Structural pruning can simplify network architecture and improve inference speed. We propose Hardware-Aware Latency Pruning (HALP) that formulates structural pruning as a global resource allocation optimization problem, aiming at maximizing the accuracy while constraining latency under a predefined budget on targeting device. For filter importance ranking, HALP leverages latency lookup table to track latency reduction potential and global saliency score to gauge accuracy drop. Both metrics can be evaluated very efficiently during pruning, allowing us to reformulate global structural pruning under a reward maximization problem given target constraint. This makes the problem solvable via our augmented knapsack solver, enabling HALP to surpass prior work in pruning efficacy and accuracy-efficiency trade-off.

Similarity-based Hierarchical Clustering (HC) is a classical unsupervised machine learning algorithm that has traditionally been solved with heuristic algorithms like Average-Linkage. Recently, Dasgupta reframed HC as a discrete optimization problem by introducing a global cost function measuring the quality of a given tree. In this work, we provide the first continuous relaxation of Dasgupta's discrete optimization problem with provable quality guarantees. The key idea of our method, HypHC, is showing a direct correspondence from discrete trees to continuous representations (via the hyperbolic embeddings of their leaf nodes) and back (via a decoding algorithm that maps leaf embeddings to a dendrogram), allowing us to search the space of discrete binary trees with continuous optimization. Building on analogies between trees and hyperbolic space, we derive a continuous analogue for the notion of lowest common ancestor, which leads to a continuous relaxation of Dasgupta's discrete objective.

We introduce a constrained optimization method for policy gradient reinforcement learning, which uses two trust regions to regulate each policy update. In addition to using the proximity of one single old policy as the first trust region as done by prior works, we propose forming a second trust region by constructing another virtual policy that represents a wide range of past policies. We then enforce the new policy to stay closer to the virtual policy, which is beneficial if the old policy performs poorly. We propose a mechanism to automatically build the virtual policy from a memory buffer of past policies, providing a new capability for dynamically selecting appropriate trust regions during the optimization process. Our proposed method, dubbed Memory-Constrained Policy Optimization (MCPO), is examined in diverse environments, including robotic locomotion control, navigation with sparse rewards and Atari games, consistently demonstrating competitive performance against recent on-policy constrained policy gradient methods.

We study the safe reinforcement learning problem with nonlinear function approximation, where policy optimization is formulated as a constrained optimization problem with both the objective and the constraint being nonconvex functions. For such a problem, we construct a sequence of surrogate convex constrained optimization problems by replacing the nonconvex functions locally with convex quadratic functions obtained from policy gradient estimators. We prove that the solutions to these surrogate problems converge to a stationary point of the original nonconvex problem. Furthermore, to extend our theoretical results, we apply our algorithm to examples of optimal control and multi-agent reinforcement learning with safety constraints.

Structure-based drug design (SBDD) aims to discover drug candidates by finding molecules (ligands) that bind tightly to a disease-related protein (targets), which is the primary approach to computer-aided drug discovery. Recently, applying deep generative models for three-dimensional (3D) molecular design conditioned on protein pockets to solve SBDD has attracted much attention, but their formulation as probabilistic modeling often leads to unsatisfactory optimization performance. On the other hand, traditional combinatorial optimization methods such as genetic algorithms (GA) have demonstrated state-of-the-art performance in various molecular optimization tasks. However, they do not utilize protein target structure to inform design steps but rely on a random-walk-like exploration, which leads to unstable performance and no knowledge transfer between different tasks despite the similar binding physics. To achieve a more stable and efficient SBDD, we propose Reinforced Genetic Algorithm (RGA) that uses neural models to prioritize the profitable design steps and suppress random-walk behavior. The neural models take the 3D structure of the targets and ligands as inputs and are pre-trained using native complex structures to utilize the knowledge of the shared binding physics from different targets and then fine-tuned during optimization.

A common way to manipulate heavy objects is to maintain at least one point of the object in contact with the environment during the manipulation. When the object has a cylindrical shape or, in general, a curved edge, not only sliding and pivoting motions but also rolling the object along the edge can effectively satisfy this condition. Edge-rolling offers several advantages in terms of efficiency and maneuverability. This paper aims to develop a novel approach for approximating the prehensile edge-rolling motion on any path by a sequence of constant screw displacements, leveraging the principles of screw theory. Based on this approach, we proposed an algorithmic method for task-space-based path generation of object manipulation between two given configurations using a sequence of rolling and pivoting motions. The method is based on an optimization algorithm that takes into account the joint limitations of the robot. To validate our approach, we conducted experiments to manipulate a cylinder along linear and curved paths using the Franka Emika Panda manipulator.

Machine unlearning (MU) is to make a well-trained model behave as if it had never been trained on specific data. In today's over-parameterized models, dominated by neural networks, a common approach is to manually relabel data and fine-tune the well-trained model. It can approximate the MU model in the output space, but the question remains whether it can achieve exact MU, i.e., in the parameter space. We answer this question by employing random feature techniques to construct an analytical framework. Under the premise of model optimization via stochastic gradient descent, we theoretically demonstrated that over-parameterized linear models can achieve exact MU through relabeling specific data. We also extend this work to real-world nonlinear networks and propose an alternating optimization algorithm that unifies the tasks of unlearning and relabeling. The algorithm's effectiveness, confirmed through numerical experiments, highlights its superior performance in unlearning across various scenarios compared to current state-of-the-art methods, particularly excelling over similar relabeling-based MU approaches.

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem, caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach addresses parametric PDEs. Specifically, our method integrates the physical loss gradient with the PDE parameters to solve over a distribution of PDE parameters, including coefficients, initial conditions, or boundary conditions. We demonstrate the effectiveness of our method through empirical experiments on multiple datasets, comparing training and test-time optimization performance.

Electrification, a key strategy in combating climate change, is transforming industries, and off-highway machines (OHM) will be next to transition from combustion engines and hydraulic actuation to sustainable fully electrified machines. Electromechanical linear actuators (EMLAs) offer superior efficiency, safety, and reduced maintenance, and they unlock vast potential for high-performance autonomous operations. However, a key challenge lies in optimizing the kinematic parameters of OHMs' on-board manipulators for EMLA integration to exploit the full capabilities of actuation systems and maximize their performance. This work addresses this challenge by delving into the structural optimization of a prevalent closed kinematic chain configuration commonly employed in OHM manipulators. Our approach aims to retain the manipulator's existing capabilities while reducing its energy expenditure, paving the way for a greener future in industrial automation, one in which sustainable and high-performing robotized OHMs can evolve. The feasibility of our methodology is validated through simulation results obtained on a commercially available parallel-serial heavy-duty manipulator mounted on a battery electric vehicle. The results demonstrate the efficacy of our approach in modifying kinematic parameters to facilitate the replacement of conventional hydraulic actuators with EMLAs, all while minimizing the overall energy consumption of the system.