The electrochemical reduction of atmospheric CO$_2$ into high-energy molecules with renewable energy is a promising avenue for energy storage that can take advantage of existing infrastructure especially in areas where sustainable alternatives to fossil fuels do not exist. Automated laboratories are currently being developed and used to optimize the composition and operating conditions of gas diffusion electrodes (GDEs), the device in which this reaction takes place. Improving the efficiency of GDEs is crucial for this technology to become viable. Here we present a modeling framework to efficiently explore the high-dimensional parameter space of GDE designs in an active learning context. At the core of the framework is an uncertainty-aware physics model calibrated with experimental data. The model has the flexibility to capture various input parameter spaces and any carbon products which can be modeled with Tafel kinetics. It is interpretable, and a Gaussian process layer can capture deviations of real data from the function space of the physical model itself. We deploy the model in a simulated active learning setup with real electrochemical data gathered by the AdaCarbon automated laboratory and show that it can be used to efficiently traverse the multi-dimensional parameter space.

Short-term forecasting of residential electricity demand is an important task for utilities. Yet, many small and medium-sized utilities still use simple forecasting approaches such as Synthesized Load Profiles, which treat residential households similarly and neither account for renewable energy installations nor novel large consumers (e.g., heat pumps, electric vehicles). The effectiveness of such "one-fits-all" approaches in future grid states--where decentral generation and sector coupling increases--are questionable. Our study challenges these forecasting practices and investigates whether Machine Learning (ML) approaches are suited to predict electricity demand in today's and in future grid states. We use real smart meter data from 3,511 households in Germany over 34 months. We extrapolate this data with future grid states (i.e., increased decentral generation and storage) based on a digital twin of a local energy system. Our results show that Long Short-Term Memory (LSTM) approaches outperform SLPs as well as simple benchmark estimators with up to 68.5% lower Root Mean Squared Error for a day-ahead forecast, especially in future grid states. Nevertheless, all prediction approaches perform worse in future grid states. Our findings therefore reinforce the need (a) for utilities and grid operators to employ ML approaches instead of traditional demand prediction methods in future grid states and (b) to prepare current ML methods for future grid states.

We propose a semi-parametric and dynamic rank factor model for topic modeling, capable of (i) discovering topic prevalence over time, and (ii) learning contemporary multi-scale dependence structures, providing topic and word correlations as a byproduct. The high-dimensional and time-evolving ordinal/rank observations (such as word counts), after an arbitrary monotone transformation, are well accommodated through an underlying dynamic sparse factor model. The framework naturally admits heavy-tailed innovations, capable of inferring abrupt temporal jumps in the importance of topics. Posterior inference is performed through straightforward Gibbs sampling, based on the forward-filtering backwardsampling algorithm. Moreover, an efficient data subsampling scheme is leveraged to speed up inference on massive datasets. The modeling framework is illustrated on two real datasets: the US State of the Union Address and the JSTOR collection from Science.

We consider the challenging practical problem of optimizing the power production of a complex of hydroelectric power plants, which involves control over three continuous action variables, uncertainty in the amount of water inflows and a variety of constraints that need to be satisfied. We propose a policy-search-based approach coupled with predictive modelling to address this problem. This approach has some key advantages compared to other alternatives, such as dynamic programming: the policy representation and search algorithm can conveniently incorporate domain knowledge; the resulting policies are easy to interpret, and the algorithm is naturally parallelizable. Our algorithm obtains a policy which outperforms the solution found by dynamic programming both quantitatively and qualitatively.

The success of machine learning, particularly in supervised settings, has led to numerous attempts to apply it in adversarial settings such as spam and malware detection. The core challenge in this class of applications is that adversaries are not static data generators, but make a deliberate effort to evade the classifiers deployed to detect them. We investigate both the problem of modeling the objectives of such adversaries, as well as the algorithmic problem of accounting for rational, objective-driven adversaries. In particular, we demonstrate severe shortcomings of feature reduction in adversarial settings using several natural adversarial objective functions, an observation that is particularly pronounced when the adversary is able to substitute across similar features (for example, replace words with synonyms or replace letters in words). We offer a simple heuristic method for making learning more robust to feature cross-substitution attacks. We then present a more general approach based on mixed-integer linear programming with constraint generation, which implicitly trades off overfitting and feature selection in an adversarial setting using a sparse regularizer along with an evasion model. Our approach is the first method for combining an adversarial classification algorithm with a very general class of models of adversarial classifier evasion. We show that our algorithmic approach significantly outperforms state-of-the-art alternatives.

Backpropagation (BP) has long been the predominant method for training neural networks due to its effectiveness. However, numerous alternative approaches, broadly categorized under feedback alignment, have been proposed, many of which are motivated by the search for biologically plausible learning mechanisms. Despite their theoretical appeal, these methods have consistently underperformed compared to BP, leading to a decline in research interest. In this work, we revisit the role of such methods and explore how they can be integrated into standard neural network training pipelines. Specifically, we propose fine-tuning BP-pre-trained models using Sign-Symmetry learning rules and demonstrate that this approach not only maintains performance parity with BP but also enhances robustness. Through extensive experiments across multiple tasks and benchmarks, we establish the validity of our approach. Our findings introduce a novel perspective on neural network training and open new research directions for leveraging biologically inspired learning rules in deep learning.

This paper describes the problem of coordination of an autonomous Multi-Agent System which aims to solve the coverage planning problem in a complex environment. The considered applications are the detection and identification of objects of interest while covering an area. These tasks, which are highly relevant for space applications, are also of interest among various domains including the underwater context, which is the focus of this study. In this context, coverage planning is traditionally modelled as a Markov Decision Process where a coordinated MAS, a swarm of heterogeneous autonomous underwater vehicles, is required to survey an area and search for objects. This MDP is associated with several challenges: environment uncertainties, communication constraints, and an ensemble of hazards, including time-varying and unpredictable changes in the underwater environment. MARL algorithms can solve highly non-linear problems using deep neural networks and display great scalability against an increased number of agents. Nevertheless, most of the current results in the underwater domain are limited to simulation due to the high learning time of MARL algorithms. For this reason, a novel strategy is introduced to accelerate this convergence rate by incorporating biologically inspired heuristics to guide the policy during training. The PSO method, which is inspired by the behaviour of a group of animals, is selected as a heuristic. It allows the policy to explore the highest quality regions of the action and state spaces, from the beginning of the training, optimizing the exploration/exploitation trade-off. The resulting agent requires fewer interactions to reach optimal performance. The method is applied to the MSAC algorithm and evaluated for a 2D covering area mission in a continuous control environment.

Recent advancements in reinforcement learning (RL) have achieved great success in fine-tuning diffusion-based generative models. However, fine-tuning continuous flow-based generative models to align with arbitrary user-defined reward functions remains challenging, particularly due to issues such as policy collapse from overoptimization and the prohibitively high computational cost of likelihoods in continuous-time flows. In this paper, we propose an easy-to-use and theoretically sound RL fine-tuning method, which we term Online Reward-Weighted Conditional Flow Matching with Wasserstein-2 Regularization (ORW-CFM-W2). Our method integrates RL into the flow matching framework to fine-tune generative models with arbitrary reward functions, without relying on gradients of rewards or filtered datasets. By introducing an online reward-weighting mechanism, our approach guides the model to prioritize high-reward regions in the data manifold. To prevent policy collapse and maintain diversity, we incorporate Wasserstein-2 (W2) distance regularization into our method and derive a tractable upper bound for it in flow matching, effectively balancing exploration and exploitation of policy optimization. We provide theoretical analyses to demonstrate the convergence properties and induced data distributions of our method, establishing connections with traditional RL algorithms featuring Kullback-Leibler (KL) regularization and offering a more comprehensive understanding of the underlying mechanisms and learning behavior of our approach. Extensive experiments on tasks including target image generation, image compression, and text-image alignment demonstrate the effectiveness of our method, where our method achieves optimal policy convergence while allowing controllable trade-offs between reward maximization and diversity preservation.

Hyperspectral imaging (HSI) captures spatial and spectral data, enabling analysis of features invisible to conventional systems. The technology is vital in fields such as weather monitoring, food quality control, counterfeit detection, healthcare diagnostics, and extending into defense, agriculture, and industrial automation at the same time. HSI has advanced with improvements in spectral resolution, miniaturization, and computational methods. This study provides an overview of the HSI, its applications, challenges in data fusion and the role of deep learning models in processing HSI data. We discuss how integration of multimodal HSI with AI, particularly with deep learning, improves classification accuracy and operational efficiency. Deep learning enhances HSI analysis in areas like feature extraction, change detection, denoising unmixing, dimensionality reduction, landcover mapping, data augmentation, spectral construction and super resolution. An emerging focus is the fusion of hyperspectral cameras with large language models (LLMs), referred as highbrain LLMs, enabling the development of advanced applications such as low visibility crash detection and face antispoofing. We also highlight key players in HSI industry, its compound annual growth rate and the growing industrial significance. The purpose is to offer insight to both technical and non-technical audience, covering HSI's images, trends, and future directions, while providing valuable information on HSI datasets and software libraries.

Real-world time series often have multiple frequency components that are intertwined with each other, making accurate time series forecasting challenging. Decomposing the mixed frequency components into multiple single frequency components is a natural choice. However, the information density of patterns varies across different frequencies, and employing a uniform modeling approach for different frequency components can lead to inaccurate characterization. To address this challenges, inspired by the flexibility of the recent Kolmogorov-Arnold Network (KAN), we propose a KAN-based Frequency Decomposition Learning architecture (TimeKAN) to address the complex forecasting challenges caused by multiple frequency mixtures. Specifically, TimeKAN mainly consists of three components: Cascaded Frequency Decomposition (CFD) blocks, Multi-order KAN Representation Learning (M-KAN) blocks and Frequency Mixing blocks. CFD blocks adopt a bottom-up cascading approach to obtain series representations for each frequency band. Benefiting from the high flexibility of KAN, we design a novel M-KAN block to learn and represent specific temporal patterns within each frequency band. Finally, Frequency Mixing blocks is used to recombine the frequency bands into the original format. Extensive experimental results across multiple real-world time series datasets demonstrate that TimeKAN achieves state-ofthe-art performance as an extremely lightweight architecture. Time series forecasting (TSF) has garnered significant interest due to its wide range of applications, including finance (Huang et al., 2024), energy management (Yin et al., 2023), traffic flow planning (Jiang & Luo, 2022), and weather forecasting (Lam et al., 2023).