Swarm robotics has garnered significant attention due to its ability to accomplish elaborate and synchronized tasks. Existing methodologies for motion planning of swarm robotic systems mainly encounter difficulties in scalability and safety guarantee. To address these limitations, we propose a Risk-aware swarm mOtion planner using conditional ValuE at Risk (ROVER) that systematically navigates large-scale swarms through cluttered environments while ensuring safety. ROVER formulates a finite-time model predictive control (FTMPC) problem predicated upon the macroscopic state of the robot swarm represented by a Gaussian Mixture Model (GMM) and integrates conditional value-at-risk (CVaR) to ensure collision avoidance. The key component of ROVER is imposing a CVaR constraint on the distribution of the Signed Distance Function between the swarm GMM and obstacles in the FTMPC to enforce collision avoidance. Utilizing the analytical expression of CVaR of a GMM derived in this work, we develop a computationally efficient solution to solve the non-linear constrained FTMPC through sequential linear programming. Simulations and comparisons with representative benchmark approaches demonstrate the effectiveness of ROVER in flexibility, scalability, and risk mitigation.

We describe a parallel approximation algorithm for maximizing monotone submodular functions subject to hereditary constraints on distributed memory multiprocessors. Our work is motivated by the need to solve submodular optimization problems on massive data sets, for practical applications in areas such as data summarization, machine learning, and graph sparsification. Our work builds on the randomized distributed RandGreedI algorithm, proposed by Barbosa, Ene, Nguyen, and Ward (2015). This algorithm computes a distributed solution by randomly partitioning the data among all the processors and then employing a single accumulation step in which all processors send their partial solutions to one processor. However, for large problems, the accumulation step could exceed the memory available on a processor, and the processor which performs the accumulation could become a computational bottleneck. Here, we propose a generalization of the RandGreedI algorithm that employs multiple accumulation steps to reduce the memory required. We analyze the approximation ratio and the time complexity of the algorithm (in the BSP model). We also evaluate the new GreedyML algorithm on three classes of problems, and report results from massive data sets with millions of elements. The results show that the GreedyML algorithm can solve problems where the sequential Greedy and distributed RandGreedI algorithms fail due to memory constraints. For certain computationally intensive problems, the GreedyML algorithm can be faster than the RandGreedI algorithm. The observed approximation quality of the solutions computed by the GreedyML algorithm closely matches those obtained by the RandGreedI algorithm on these problems.

The streams of research on adversarial examples and counterfactual explanations have largely been growing independently. This has led to several recent works trying to elucidate their similarities and differences. Most prominently, it has been argued that adversarial examples, as opposed to counterfactual explanations, have a unique characteristic in that they lead to a misclassification compared to the ground truth. However, the computational goals and methodologies employed in existing counterfactual explanation and adversarial example generation methods often lack alignment with this requirement. Using formal definitions of adversarial examples and counterfactual explanations, we introduce non-adversarial algorithmic recourse and outline why in high-stakes situations, it is imperative to obtain counterfactual explanations that do not exhibit adversarial characteristics. We subsequently investigate how different components in the objective functions, e.g., the machine learning model or cost function used to measure distance, determine whether the outcome can be considered an adversarial example or not. Our experiments on common datasets highlight that these design choices are often more critical in deciding whether recourse is non-adversarial than whether recourse or attack algorithms are used. Furthermore, we show that choosing a robust and accurate machine learning model results in less adversarial recourse desired in practice.

Modern machine learning (ML) systems demand substantial training data, often resorting to external sources. Nevertheless, this practice renders them vulnerable to backdoor poisoning attacks. Prior backdoor defense strategies have primarily focused on the identification of backdoored models or poisoned data characteristics, typically operating under the assumption of access to clean data. In this work, we delve into a relatively underexplored challenge: the automatic identification of backdoor data within a poisoned dataset, all under realistic conditions, i.e., without the need for additional clean data or without manually defining a threshold for backdoor detection. We draw an inspiration from the scaled prediction consistency (SPC) technique, which exploits the prediction invariance of poisoned data to an input scaling factor. Based on this, we pose the backdoor data identification problem as a hierarchical data splitting optimization problem, leveraging a novel SPC-based loss function as the primary optimization objective. Our innovation unfolds in several key aspects. First, we revisit the vanilla SPC method, unveiling its limitations in addressing the proposed backdoor identification problem. Subsequently, we develop a bi-level optimization-based approach to precisely identify backdoor data by minimizing the advanced SPC loss. Finally, we demonstrate the efficacy of our proposal against a spectrum of backdoor attacks, encompassing basic label-corrupted attacks as well as more sophisticated clean-label attacks, evaluated across various benchmark datasets. Experiment results show that our approach often surpasses the performance of current baselines in identifying backdoor data points, resulting in about 4%-36% improvement in average AUROC. Codes are available at https://github.com/OPTML-Group/BackdoorMSPC.

High-level synthesis (HLS) is a design flow that leverages modern language features and flexibility, such as complex data structures, inheritance, templates, etc., to prototype hardware designs rapidly. However, exploring various design space parameters can take much time and effort for hardware engineers to meet specific design specifications. This paper proposes a novel framework called AutoHLS, which integrates a deep neural network (DNN) with Bayesian optimization (BO) to accelerate HLS hardware design optimization. Our tool focuses on HLS pragma exploration and operation transformation. It utilizes integrated DNNs to predict synthesizability within a given FPGA resource budget. We also investigate the potential of emerging quantum neural networks (QNNs) instead of classical DNNs for the AutoHLS pipeline. Our experimental results demonstrate up to a 70-fold speedup in exploration time.

In Precision Agriculture, the utilization of management zones (MZs) that take into account within-field variability facilitates effective fertilizer management. This approach enables the optimization of nitrogen (N) rates to maximize crop yield production and enhance agronomic use efficiency. However, existing works often neglect the consideration of responsivity to fertilizer as a factor influencing MZ determination. In response to this gap, we present a MZ clustering method based on fertilizer responsivity. We build upon the statement that the responsivity of a given site to the fertilizer rate is described by the shape of its corresponding N fertilizer-yield response (N-response) curve. Thus, we generate N-response curves for all sites within the field using a convolutional neural network (CNN). The shape of the approximated N-response curves is then characterized using functional principal component analysis. Subsequently, a counterfactual explanation (CFE) method is applied to discern the impact of various variables on MZ membership. The genetic algorithm-based CFE solves a multi-objective optimization problem and aims to identify the minimum combination of features needed to alter a site's cluster assignment. Results from two yield prediction datasets indicate that the features with the greatest influence on MZ membership are associated with terrain characteristics that either facilitate or impede fertilizer runoff, such as terrain slope or topographic aspect.

Structure-based drug design aims at generating high affinity ligands with prior knowledge of 3D target structures. Existing methods either use conditional generative model to learn the distribution of 3D ligands given target binding sites, or iteratively modify molecules to optimize a structure-based activity estimator. The former is highly constrained by data quantity and quality, which leaves optimization-based approaches more promising in practical scenario. However, existing optimization-based approaches choose to edit molecules in 2D space, and use molecular docking to estimate the activity using docking predicted 3D target-ligand complexes. The misalignment between the action space and the objective hinders the performance of these models, especially for those employ deep learning for acceleration. In this work, we propose MolEdit3D to combine 3D molecular generation with optimization frameworks. We develop a novel 3D graph editing model to generate molecules using fragments, and pre-train this model on abundant 3D ligands for learning target-independent properties. Then we employ a target-guided self-learning strategy to improve target-related properties using self-sampled molecules. MolEdit3D achieves state-of-the-art performance on majority of the evaluation metrics, and demonstrate strong capability of capturing both target-dependent and -independent properties.

Abstract-- This study introduces the Hybrid Sequential Manipulation Planner (H-MaP), a novel approach that iteratively does motion planning using contact points and waypoints for complex sequential manipulation tasks in robotics. Combining optimization-based methods for generalizability and samplingbased methods for robustness, H-MaP enhances manipulation planning through active contact mode switches and enables interactions with auxiliary objects and tools. This framework, validated by a series of diverse physical manipulation tasks and real-robot experiments, offers a scalable and adaptable solution for complex real-world applications in robotic manipulation. I. INTRODUCTION Sequential manipulation is crucial since it enables robots to complete complex tasks by executing a series of actions, allowing them to handle multi-step processes. However, sequential manipulation is challenging for robots.

We consider the penalized distributionally robust optimization (DRO) problem with a closed, convex uncertainty set, a setting that encompasses the $f$-DRO, Wasserstein-DRO, and spectral/$L$-risk formulations used in practice. We present Drago, a stochastic primal-dual algorithm that achieves a state-of-the-art linear convergence rate on strongly convex-strongly concave DRO problems. The method combines both randomized and cyclic components with mini-batching, which effectively handles the unique asymmetric nature of the primal and dual problems in DRO. We support our theoretical results with numerical benchmarks in classification and regression.

We developed a common algorithmic solution addressing the problem of resource-constrained outreach encountered by social change organizations with different missions and operations: Breaking Ground -- an organization that helps individuals experiencing homelessness in New York transition to permanent housing and Leket -- the national food bank of Israel that rescues food from farms and elsewhere to feed the hungry. Specifically, we developed an estimation and optimization approach for partially-observed episodic restless bandits under $k$-step transitions. The results show that our Thompson sampling with Markov chain recovery (via Stein variational gradient descent) algorithm significantly outperforms baselines for the problems of both organizations. We carried out this work in a prospective manner with the express goal of devising a flexible-enough but also useful-enough solution that can help overcome a lack of sustainable impact in data science for social good.