Modeling weather and climate is an essential endeavor to understand the near- and long-term impacts of climate change, as well as inform technology and policymaking for adaptation and mitigation efforts. In recent years, there has been a surging interest in applying data-driven methods based on machine learning for solving core problems such as weather forecasting and climate downscaling. Despite promising results, much of this progress has been impaired due to the lack of large-scale, open-source efforts for reproducibility, resulting in the use of inconsistent or underspecified datasets, training setups, and evaluations by both domain scientists and artificial intelligence researchers. We introduce ClimateLearn, an open-source PyTorch library that vastly simplifies the training and evaluation of machine learning models for data-driven climate science. ClimateLearn consists of holistic pipelines for dataset processing (e.g., ERA5, CMIP6, PRISM), implementation of state-of-the-art deep learning models (e.g., Transformers, ResNets), and quantitative and qualitative evaluation for standard weather and climate modeling tasks. We supplement these functionalities with extensive documentation, contribution guides, and quickstart tutorials to expand access and promote community growth. We have also performed comprehensive forecasting and downscaling experiments to showcase the capabilities and key features of our library. To our knowledge, ClimateLearn is the first large-scale, open-source effort for bridging research in weather and climate modeling with modern machine learning systems. Our library is available publicly at https://github.com/aditya-grover/climate-learn.

Graph Neural Networks (GNNs) have gained growing interest in miscellaneous applications owing to their outstanding ability in extracting latent representation on graph structures. To render GNN-based service for IoT-driven smart applications, traditional model serving paradigms usually resort to the cloud by fully uploading geo-distributed input data to remote datacenters. However, our empirical measurements reveal the significant communication overhead of such cloud-based serving and highlight the profound potential in applying the emerging fog computing. To maximize the architectural benefits brought by fog computing, in this paper, we present Fograph, a novel distributed real-time GNN inference framework that leverages diverse and dynamic resources of multiple fog nodes in proximity to IoT data sources. By introducing heterogeneity-aware execution planning and GNN-specific compression techniques, Fograph tailors its design to well accommodate the unique characteristics of GNN serving in fog environments. Prototype-based evaluation and case study demonstrate that Fograph significantly outperforms the state-of-the-art cloud serving and fog deployment by up to 5.39x execution speedup and 6.84x throughput improvement.

Numerical simulations based on self-consistent field theory (SCFT) are a powerful tool to study the energetics and structures of polymer phases [2, 3, 4]. However, the high cost of these direct computations, involving the repeated solution of multiple modified diffusion (Fokker-Planck) equations [2, 5, 6], hinders the scalability of SCFT for its application in polymer phase discovery. Machine learning (ML), which obtains an approximate input-to-output map from data, can substantially reduce (after training) the computational cost of evaluating quantities of interest. Consequently, there has been increasing interest to combine ML with traditional polymer SCFT simulations to speed up the exploration of parameter space. Most of the work to date has been focused on separate stages of SCFT computation and/or downstream tasks.

Microelectronic morphogenesis is the creation and maintenance of complex functional structures by microelectronic information within shape-changing materials. Only recently has in-built information technology begun to be used to reshape materials and their functions in three dimensions to form smart microdevices and microrobots. Electronic information that controls morphology is inheritable like its biological counterpart, genetic information, and is set to open new vistas of technology leading to artificial organisms when coupled with modular design and self-assembly that can make reversible microscopic electrical connections. Three core capabilities of cells in organisms, self-maintenance (homeostatic metabolism utilizing free energy), self-containment (distinguishing self from non-self), and self-reproduction (cell division with inherited properties), once well out of reach for technology, are now within the grasp of information-directed materials. Construction-aware electronics can be used to proof-read and initiate game-changing error correction in microelectronic self-assembly. Furthermore, non-contact communication and electronically supported learning enable one to implement guided self-assembly and enhance functionality. This article reviews the fundamental breakthroughs that have opened the pathway to this prospective path, analyzes the extent and way in which the core properties of life can be addressed and discusses the potential and indeed necessity of such technology for sustainable high technology in society.

Robots will increasingly operate near humans that introduce uncertainties in the motion planning problem due to their complex nature. Typically, chance constraints are introduced in the planner to optimize performance while guaranteeing probabilistic safety. However, existing methods do not consider the actual probability of collision for the planned trajectory, but rather its marginalization, that is, the independent collision probabilities for each planning step and/or dynamic obstacle, resulting in conservative trajectories. To address this issue, we introduce a novel real-time capable method termed Safe Horizon MPC, that explicitly constrains the joint probability of collision with all obstacles over the duration of the motion plan. This is achieved by reformulating the chance-constrained planning problem using scenario optimization and predictive control. Our method is less conservative than state-of-the-art approaches, applicable to arbitrary probability distributions of the obstacles' trajectories, computationally tractable and scalable. We demonstrate our proposed approach using a mobile robot and an autonomous vehicle in an environment shared with humans.

Recently, a series of papers proposed deep learning-based approaches to sample from unnormalized target densities using controlled diffusion processes. In this work, we identify these approaches as special cases of the Schr\"odinger bridge problem, seeking the most likely stochastic evolution between a given prior distribution and the specified target. We further generalize this framework by introducing a variational formulation based on divergences between path space measures of time-reversed diffusion processes. This abstract perspective leads to practical losses that can be optimized by gradient-based algorithms and includes previous objectives as special cases. At the same time, it allows us to consider divergences other than the reverse Kullback-Leibler divergence that is known to suffer from mode collapse. In particular, we propose the so-called log-variance loss, which exhibits favorable numerical properties and leads to significantly improved performance across all considered approaches.

Balancing exploration and exploitation has been an important problem in both game tree search and automated planning. However, while the problem has been extensively analyzed within the Multi-Armed Bandit (MAB) literature, the planning community has had limited success when attempting to apply those results. We show that a more detailed theoretical understanding of MAB literature helps improve existing planning algorithms that are based on Monte Carlo Tree Search (MCTS) / Trial Based Heuristic Tree Search (THTS). In particular, THTS uses UCB1 MAB algorithms in an ad hoc manner, as UCB1's theoretical requirement of fixed bounded support reward distributions is not satisfied within heuristic search for classical planning. The core issue lies in UCB1's lack of adaptations to the different scales of the rewards. We propose GreedyUCT-Normal, a MCTS/THTS algorithm with UCB1-Normal bandit for agile classical planning, which handles distributions with different scales by taking the reward variance into consideration, and resulted in an improved algorithmic performance (more plans found with less node expansions) that outperforms Greedy Best First Search and existing MCTS/THTS-based algorithms (GreedyUCT,GreedyUCT*).

This paper studies the q-learning, recently coined as the continuous time counterpart of Q-learning by Jia and Zhou (2023), for continuous time Mckean-Vlasov control problems in the setting of entropy-regularized reinforcement learning. In contrast to the single agent's control problem in Jia and Zhou (2023), the mean-field interaction of agents renders the definition of the q-function more subtle, for which we reveal that two distinct q-functions naturally arise: (i) the integrated q-function (denoted by $q$) as the first-order approximation of the integrated Q-function introduced in Gu, Guo, Wei and Xu (2023), which can be learnt by a weak martingale condition involving test policies; and (ii) the essential q-function (denoted by $q_e$) that is employed in the policy improvement iterations. We show that two q-functions are related via an integral representation under all test policies. Based on the weak martingale condition and our proposed searching method of test policies, some model-free learning algorithms are devised. In two examples, one in LQ control framework and one beyond LQ control framework, we can obtain the exact parameterization of the optimal value function and q-functions and illustrate our algorithms with simulation experiments.

Traditional numerical schemes for simulating fluid flow and transport in porous media can be computationally expensive. Advances in machine learning for scientific computing have the potential to help speed up the simulation time in many scientific and engineering fields. DeepONet has recently emerged as a powerful tool for accelerating the solution of partial differential equations (PDEs) by learning operators (mapping between function spaces) of PDEs. In this work, we learn the mapping between the space of flux functions of the Buckley-Leverett PDE and the space of solutions (saturations). We use Physics-Informed DeepONets (PI-DeepONets) to achieve this mapping without any paired input-output observations, except for a set of given initial or boundary conditions; ergo, eliminating the expensive data generation process. By leveraging the underlying physical laws via soft penalty constraints during model training, in a manner similar to Physics-Informed Neural Networks (PINNs), and a unique deep neural network architecture, the proposed PI-DeepONet model can predict the solution accurately given any type of flux function (concave, convex, or non-convex) while achieving up to four orders of magnitude improvements in speed over traditional numerical solvers. Moreover, the trained PI-DeepONet model demonstrates excellent generalization qualities, rendering it a promising tool for accelerating the solution of transport problems in porous media.

Node classification tasks on graphs are addressed via fully-trained deep message-passing models that learn a hierarchy of node representations via multiple aggregations of a node's neighbourhood. While effective on graphs that exhibit a high ratio of intra-class edges, this approach poses challenges in the opposite case, i.e. heterophily, where nodes belonging to the same class are usually further apart. In graphs with a high degree of heterophily, the smoothed representations based on close neighbours computed by convolutional models are no longer effective. So far, architectural variations in message-passing models to reduce excessive smoothing or rewiring the input graph to improve longer-range message passing have been proposed. In this paper, we address the challenges of heterophilic graphs with Graph Echo State Network (GESN) for node classification. GESN is a reservoir computing model for graphs, where node embeddings are recursively computed by an untrained message-passing function. Our experiments show that reservoir models are able to achieve better or comparable accuracy with respect to most fully trained deep models that implement ad hoc variations in the architectural bias or perform rewiring as a preprocessing step on the input graph, with an improvement in terms of efficiency/accuracy trade-off. Furthermore, our analysis shows that GESN is able to effectively encode the structural relationships of a graph node, by showing a correlation between iterations of the recursive embedding function and the distribution of shortest paths in a graph.