Mobile robot fleets are currently used in different scenarios such as medical environments or logistics. The management of these systems provides different challenges that vary from the control of the movement of each robot to the allocation of tasks to be performed. Task Allocation (TA) problem is a key topic for the proper management of mobile robot fleets to ensure the minimization of energy consumption and quantity of necessary robots. Solutions on this aspect are essential to reach economic and environmental sustainability of robot fleets, mainly in industry applications such as warehouse logistics. The minimization of energy consumption introduces TA problem as an optimization issue which has been treated in recent studies. This work focuses on the analysis of current trends in solving TA of mobile robot fleets. Main TA optimization algorithms are presented, including novel methods based on Artificial Intelligence (AI). Additionally, this work showcases most important results extracted from simulations, including frameworks utilized for the development of the simulations. Finally, some conclusions are obtained from the analysis to target on gaps that must be treated in the future.

2D portrait animation has experienced significant advancements in recent years. Much research has utilized the prior knowledge embedded in large generative diffusion models to enhance high-quality image manipulation. However, most methods only focus on generating RGB images as output, and the co-generation of consistent visual plus 3D output remains largely under-explored. In our work, we propose to jointly learn the visual appearance and depth simultaneously in a diffusion-based portrait image generator. Our method embraces the end-to-end diffusion paradigm and introduces a new architecture suitable for learning this conditional joint distribution, consisting of a reference network and a channel-expanded diffusion backbone. Once trained, our framework can be efficiently adapted to various downstream applications, such as facial depth-to-image and image-to-depth generation, portrait relighting, and audio-driven talking head animation with consistent 3D output.

Accurately predicting renewable energy output is crucial for the efficient integration of solar and wind power into modern energy systems. This study develops and evaluates an advanced deep learning model, Channel-Time Patch Time-Series Transformer (CT-PatchTST), to forecast the power output of photovoltaic and wind energy systems using annual offshore wind power, onshore wind power, and solar power generation data from Denmark. While the original Patch Time-Series Transformer(PatchTST) model employs a channel-independent (CI) approach, it tends to overlook inter-channel relationships during training, potentially leading to a loss of critical information. To address this limitation and further leverage the benefits of increased data granularity brought by CI, we propose CT-PatchTST. This enhanced model improves the processing of inter-channel information while maintaining the advantages of the channel-independent approach. The predictive performance of CT-PatchTST is rigorously analyzed, demonstrating its ability to provide precise and reliable energy forecasts. This work contributes to improving the predictability of renewable energy systems, supporting their broader adoption and integration into energy grids.

Increasing HPC cluster sizes and large-scale simulations that produce petabytes of data per run, create massive IO and storage challenges for analysis. Deep learning-based techniques, in particular, make use of these amounts of domain data to extract patterns that help build scientific understanding. Here, we demonstrate a streaming workflow in which simulation data is streamed directly to a machine-learning (ML) framework, circumventing the file system bottleneck. Data is transformed in transit, asynchronously to the simulation and the training of the model. With the presented workflow, data operations can be performed in common and easy-to-use programming languages, freeing the application user from adapting the application output routines. As a proof-of-concept we consider a GPU accelerated particle-in-cell (PIConGPU) simulation of the Kelvin- Helmholtz instability (KHI). We employ experience replay to avoid catastrophic forgetting in learning from this non-steady process in a continual manner. We detail challenges addressed while porting and scaling to Frontier exascale system.

We propose a way to bound the generalisation errors of several classes of quantum reservoirs using the Rademacher complexity. We give specific, parameter-dependent bounds for two particular quantum reservoir classes. We analyse how the generalisation bounds scale with growing numbers of qubits. Applying our results to classes with polynomial readout functions, we find that the risk bounds converge in the number of training samples. The explicit dependence on the quantum reservoir and readout parameters in our bounds can be used to control the generalisation error to a certain extent. It should be noted that the bounds scale exponentially with the number of qubits $n$. The upper bounds on the Rademacher complexity can be applied to other reservoir classes that fulfill a few hypotheses on the quantum dynamics and the readout function.

The development of neural sequence models, such as Transformers [Vaswani et al., 2017], along with the improvements in large-scale self-supervised learning, has opened the door to universal language understanding and generation. This achievement is largely motivated by pre-training: we separate common components from many neural network-based systems, and then train them on huge amounts of unlabeled data using self-supervision. These pre-trained models serve as foundation models that can be easily adapted to different tasks via fine-tuning or prompting. As a result, the paradigm of NLP has been enormously changed. In many cases, large-scale supervised learning for specific tasks is no longer required, and instead, we only need to adapt pre-trained foundation models.

Mapping land surface disturbances supports disaster response, resource and ecosystem management, and climate adaptation efforts. Synthetic aperture radar (SAR) is an invaluable tool for disturbance mapping, providing consistent time-series images of the ground regardless of weather or illumination conditions. Despite SAR's potential for disturbance mapping, processing SAR data to an analysis-ready format requires expertise and significant compute resources, particularly for large-scale global analysis. In October 2023, NASA's Observational Products for End-Users from Remote Sensing Analysis (OPERA) project released the near-global Radiometric Terrain Corrected SAR backscatter from Sentinel-1 (RTC-S1) dataset, providing publicly available, analysis-ready SAR imagery. In this work, we utilize this new dataset to systematically analyze land surface disturbances. As labeling SAR data is often prohibitively time-consuming, we train a self-supervised vision transformer - which requires no labels to train - on OPERA RTC-S1 data to estimate a per-pixel distribution from the set of baseline imagery and assess disturbances when there is significant deviation from the modeled distribution. To test our model's capability and generality, we evaluate three different natural disasters - which represent high-intensity, abrupt disturbances - from three different regions of the world. Across events, our approach yields high quality delineations: F1 scores exceeding 0.6 and Areas Under the Precision-Recall Curve exceeding 0.65, consistently outperforming existing SAR disturbance methods. Our findings suggest that a self-supervised vision transformer is well-suited for global disturbance mapping and can be a valuable tool for operational, near-global disturbance monitoring, particularly when labeled data does not exist.

We present Mantis Shrimp, a multi-survey deep learning model for photometric redshift estimation that fuses ultra-violet (GALEX), optical (PanSTARRS), and infrared (UnWISE) imagery. Machine learning is now an established approach for photometric redshift estimation, with generally acknowledged higher performance in areas with a high density of spectroscopically identified galaxies over template-based methods. Multiple works have shown that image-based convolutional neural networks can outperform tabular-based color/magnitude models. In comparison to tabular models, image models have additional design complexities: it is largely unknown how to fuse inputs from different instruments which have different resolutions or noise properties. The Mantis Shrimp model estimates the conditional density estimate of redshift using cutout images. The density estimates are well calibrated and the point estimates perform well in the distribution of available spectroscopically confirmed galaxies with (bias = 1e-2), scatter (NMAD = 2.44e-2) and catastrophic outlier rate ($\eta$=17.53$\%$). We find that early fusion approaches (e.g., resampling and stacking images from different instruments) match the performance of late fusion approaches (e.g., concatenating latent space representations), so that the design choice ultimately is left to the user. Finally, we study how the models learn to use information across bands, finding evidence that our models successfully incorporates information from all surveys. The applicability of our model to the analysis of large populations of galaxies is limited by the speed of downloading cutouts from external servers; however, our model could be useful in smaller studies such as generating priors over redshift for stellar population synthesis.

The foundation model (FM) paradigm is transforming Machine Learning Force Fields (MLFFs), leveraging general-purpose representations and scalable training to perform a variety of computational chemistry tasks. Although MLFF FMs have begun to close the accuracy gap relative to first-principles methods, there is still a strong need for faster inference speed. Additionally, while research is increasingly focused on general-purpose models which transfer across chemical space, practitioners typically only study a small subset of systems at a given time. This underscores the need for fast, specialized MLFFs relevant to specific downstream applications, which preserve test-time physical soundness while maintaining train-time scalability. In this work, we introduce a method for transferring general-purpose representations from MLFF foundation models to smaller, faster MLFFs specialized to specific regions of chemical space. We formulate our approach as a knowledge distillation procedure, where the smaller "student" MLFF is trained to match the Hessians of the energy predictions of the "teacher" foundation model. Our specialized MLFFs can be up to 20 $\times$ faster than the original foundation model, while retaining, and in some cases exceeding, its performance and that of undistilled models. We also show that distilling from a teacher model with a direct force parameterization into a student model trained with conservative forces (i.e., computed as derivatives of the potential energy) successfully leverages the representations from the large-scale teacher for improved accuracy, while maintaining energy conservation during test-time molecular dynamics simulations. More broadly, our work suggests a new paradigm for MLFF development, in which foundation models are released along with smaller, specialized simulation "engines" for common chemical subsets.

Determining whether a candidate crystalline material is thermodynamically stable depends on identifying its true ground-state structure, a central challenge in computational materials science. We introduce CrystalGRW, a diffusion-based generative model on Riemannian manifolds that proposes novel crystal configurations and can predict stable phases validated by density functional theory. The crystal properties, such as fractional coordinates, atomic types, and lattice matrices, are represented on suitable Riemannian manifolds, ensuring that new predictions generated through the diffusion process preserve the periodicity of crystal structures. We incorporate an equivariant graph neural network to also account for rotational and translational symmetries during the generation process. CrystalGRW demonstrates the ability to generate realistic crystal structures that are close to their ground states with accuracy comparable to existing models, while also enabling conditional control, such as specifying a desired crystallographic point group. These features help accelerate materials discovery and inverse design by offering stable, symmetry-consistent crystal candidates for experimental validation.