The union of Edge Computing (EC) and Artificial Intelligence (AI) has brought forward the Edge AI concept to provide intelligent solutions close to the end-user environment, for privacy preservation, low latency to real-time performance, and resource optimization. Machine Learning (ML), as the most advanced branch of AI in the past few years, has shown encouraging results and applications in the edge environment. Nevertheless, edge-powered ML solutions are more complex to realize due to the joint constraints from both edge computing and AI domains, and the corresponding solutions are expected to be efficient and adapted in technologies such as data processing, model compression, distributed inference, and advanced learning paradigms for Edge ML requirements. Despite the fact that a great deal of the attention garnered by Edge ML is gained in both the academic and industrial communities, we noticed the lack of a complete survey on existing Edge ML technologies to provide a common understanding of this concept. To tackle this, this paper aims at providing a comprehensive taxonomy and a systematic review of Edge ML techniques, focusing on the soft computing aspects of existing paradigms and techniques. We start by identifying the Edge ML requirements driven by the joint constraints. We then extensively survey more than twenty paradigms and techniques along with their representative work, covering two main parts: edge inference, and edge learning. In particular, we analyze how each technique fits into Edge ML by meeting a subset of the identified requirements. We also summarize Edge ML frameworks and open issues to shed light on future directions for Edge ML.

Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the adsorption energy for an adsorbate and a catalyst surface of interest. Traditionally, the identification of low energy adsorbate-surface configurations relies on heuristic methods and researcher intuition. As the desire to perform high-throughput screening increases, it becomes challenging to use heuristics and intuition alone. In this paper, we demonstrate machine learning potentials can be leveraged to identify low energy adsorbate-surface configurations more accurately and efficiently. Our algorithm provides a spectrum of trade-offs between accuracy and efficiency, with one balanced option finding the lowest energy configuration 87.36% of the time, while achieving a 2000x speedup in computation. To standardize benchmarking, we introduce the Open Catalyst Dense dataset containing nearly 1,000 diverse surfaces and 100,000 unique configurations.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

Nonlinear Model Predictive Control (NMPC) is a state-of-the-art approach for locomotion and manipulation which leverages trajectory optimization at each control step. While the performance of this approach is computationally bounded, implementations of direct trajectory optimization that use iterative methods to solve the underlying moderately-large and sparse linear systems, are a natural fit for parallel hardware acceleration. In this work, we introduce MPCGPU, a GPU-accelerated, real-time NMPC solver that leverages an accelerated preconditioned conjugate gradient (PCG) linear system solver at its core. We show that MPCGPU increases the scalability and real-time performance of NMPC, solving larger problems, at faster rates. In particular, for tracking tasks using the Kuka IIWA manipulator, MPCGPU is able to scale to kilohertz control rates with trajectories as long as 512 knot points. This is driven by a custom PCG solver which outperforms state-of-the-art, CPU-based, linear system solvers by at least 10x for a majority of solves and 3.6x on average.

Solving multiphysics-based inverse problems for geological carbon storage monitoring can be challenging when multimodal time-lapse data are expensive to collect and costly to simulate numerically. We overcome these challenges by combining computationally cheap learned surrogates with learned constraints. Not only does this combination lead to vastly improved inversions for the important fluid-flow property, permeability, it also provides a natural platform for inverting multimodal data including well measurements and active-source time-lapse seismic data. By adding a learned constraint, we arrive at a computationally feasible inversion approach that remains accurate. This is accomplished by including a trained deep neural network, known as a normalizing flow, which forces the model iterates to remain in-distribution, thereby safeguarding the accuracy of trained Fourier neural operators that act as surrogates for the computationally expensive multiphase flow simulations involving partial differential equation solves. By means of carefully selected experiments, centered around the problem of geological carbon storage, we demonstrate the efficacy of the proposed constrained optimization method on two different data modalities, namely time-lapse well and time-lapse seismic data. While permeability inversions from both these two modalities have their pluses and minuses, their joint inversion benefits from either, yielding valuable superior permeability inversions and CO2 plume predictions near, and far away, from the monitoring wells.

Synthetic time series are often used in practical applications to augment the historical time series dataset for better performance of machine learning algorithms, amplify the occurrence of rare events, and also create counterfactual scenarios described by the time series. Distributional-similarity (which we refer to as realism) as well as the satisfaction of certain numerical constraints are common requirements in counterfactual time series scenario generation requests. For instance, the US Federal Reserve publishes synthetic market stress scenarios given by the constrained time series for financial institutions to assess their performance in hypothetical recessions. Existing approaches for generating constrained time series usually penalize training loss to enforce constraints, and reject non-conforming samples. However, these approaches would require re-training if we change constraints, and rejection sampling can be computationally expensive, or impractical for complex constraints. In this paper, we propose a novel set of methods to tackle the constrained time series generation problem and provide efficient sampling while ensuring the realism of generated time series. In particular, we frame the problem using a constrained optimization framework and then we propose a set of generative methods including "GuidedDiffTime", a guided diffusion model to generate realistic time series. Empirically, we evaluate our work on several datasets for financial and energy data, where incorporating constraints is critical. We show that our approaches outperform existing work both qualitatively and quantitatively. Most importantly, we show that our "GuidedDiffTime" model is the only solution where re-training is not necessary for new constraints, resulting in a significant carbon footprint reduction, up to 92% w.r.t. existing deep learning methods.

Sustainable development has emerged as a global priority, and industries are increasingly striving to align their operations with sustainable practices. Parallel machine scheduling (PMS) is a critical aspect of production planning that directly impacts resource utilization and operational efficiency. In this paper, we investigate the application of metaheuristic optimization algorithms to address the unrelated parallel machine scheduling problem (UPMSP) through the lens of sustainable development goals (SDGs). The primary objective of this study is to explore how metaheuristic optimization algorithms can contribute to achieving sustainable development goals in the context of UPMSP. We examine a range of metaheuristic algorithms, including genetic algorithms, particle swarm optimization, ant colony optimization, and more, and assess their effectiveness in optimizing the scheduling problem. The algorithms are evaluated based on their ability to improve resource utilization, minimize energy consumption, reduce environmental impact, and promote socially responsible production practices. To conduct a comprehensive analysis, we consider UPMSP instances that incorporate sustainability-related constraints and objectives.

It is important to understand how bipedal walkers balance and walk effectively on granular materials, such as sand and loose dirt, etc. This paper first presents a computational approach to obtain the motion and energy analysis of bipedal walkers on granular terrains and then discusses an optimization method for the robot foot-shape contour design for energy efficiently walking. We first present the foot-terrain interaction characteristics of the intrusion process using the resistive force theory that provides comprehensive force laws. Using human gait profiles, we compute and compare the ground reaction forces and the external work for walking gaits with various foot shapes on granular terrains. A multi-objective optimization problem is finally formulated for the foot contour design considering energy saving and walking efficiency. It is interesting to find out a non-convex foot shape gives the best performance in term of energy and locomotion efficiency on hard granular terrains. The presented work provides an enabling tool to further understand and design efficient and effective bipedal walkers on granular terrains.

Current robotic grasping methods often rely on estimating the pose of the target object, explicitly predicting grasp poses, or implicitly estimating grasp success probabilities. In this work, we propose a novel approach that directly maps gripper poses to their corresponding grasp success values, without considering objectness. Specifically, we leverage a Neural Radiance Field (NeRF) architecture to learn a scene representation and use it to train a grasp success estimator that maps each pose in the robot's task space to a grasp success value. We employ this learned estimator to tune its inputs, i.e., grasp poses, by gradient-based optimization to obtain successful grasp poses. Contrary to other NeRF-based methods which enhance existing grasp pose estimation approaches by relying on NeRF's rendering capabilities or directly estimate grasp poses in a discretized space using NeRF's scene representation capabilities, our approach uniquely sidesteps both the need for rendering and the limitation of discretization. We demonstrate the effectiveness of our approach on four simulated 3DoF (Degree of Freedom) robotic grasping tasks and show that it can generalize to novel objects. Our best model achieves an average translation error of 3mm from valid grasp poses. This work opens the door for future research to apply our approach to higher DoF grasps and real-world scenarios.

In the present paper we introduce new optimization algorithms for the task of density ratio estimation. More precisely, we consider extending the well-known KMM method using the construction of a suitable loss function, in order to encompass more general situations involving the estimation of density ratio with respect to subsets of the training data and test data, respectively. The associated codes can be found at https://github.com/CDAlecsa/Generalized-KMM.