That is, DOS is not solely determined by the crystalline material but also by the energy levels, which has been neglected in previous works. In this paper, we propose to integrate heterogeneous information obtained from the crystalline materials and the energies via a multi-modal transformer, thereby modeling the complex relationships between the atoms in the crystalline materials and various energy levels for DOS prediction. Moreover, we propose to utilize prompts to guide the model to learn the crystal structural system-specific interactions between crystalline materials and energies. Extensive experiments on two types of DOS, i.e., Phonon DOS and Electron DOS, with various real-world scenarios demonstrate the superiority of DOST ransformer .

Utilizing the intrinsic history-dependence and nonlinearity of hardware, physical reservoir computing is a promising neuromorphic approach to encode time-series data for in-sensor computing. The accuracy of this encoding critically depends on the distinguishability of multi-state outputs, which is often limited by suboptimal and empirically chosen reservoir operation conditions. In this work, we demonstrate a machine learning approach, Bayesian optimization, to improve the encoding fidelity of solution-processed Al2O3/In2O3 thin-film transistors (TFTs). We show high-fidelity 6-bit temporal encoding by exploring five key pulse parameters and using the normalized degree of separation (nDoS) as the metric of output state separability. Additionally, we show that a model trained on simpler 4-bit data can effectively guide optimization of more complex 6-bit encoding tasks, reducing experimental cost. Specifically, for the encoding and reconstruction of binary-patterned images of a moving car across 6 sequential frames, we demonstrate that the encoding is more accurate when operating the TFT using optimized pulse parameters and the 4-bit optimized operating condition performs almost as well as the 6-bit optimized condition. Finally, interpretability analysis via Shapley Additive Explanations (SHAP) reveals that gate pulse amplitude and drain voltage are the most influential parameters in achieving higher state separation. This work presents the first systematic method to identify optimal operating conditions for reservoir devices, and the approach can be extended to other physical reservoir implementations across different material platforms.

Across various sectors applications of eXplainableAI (XAI) gained momentum as the increasing black-boxedness of prevailing Machine Learning (ML) models became apparent. In parallel, Large Language Models (LLMs) significantly developed in their abilities to understand human language and complex patterns. By combining both, this paper presents a novel reference architecture for the interpretation of XAI through an interactive chatbot powered by a fine-tuned LLM. We instantiate the reference architecture in the context of State-of-Health (SoH) prediction for batteries and validate its design in multiple evaluation and demonstration rounds. The evaluation indicates that the implemented prototype enhances the human interpretability of ML, especially for users with less experience with XAI.

Nonlinear causal discovery from observational data imposes strict identifiability assumptions on the formulation of structural equations utilized in the data generating process. The evaluation of structure learning methods under assumption violations requires a rigorous and interpretable approach, which quantifies both the structural similarity of the estimation with the ground truth and the capacity of the discovered graphs to be used for causal inference. Motivated by the lack of unified performance assessment framework, we introduce an interpretable, six-dimensional evaluation metric, i.e., distance to optimal solution (DOS), which is specifically tailored to the field of causal discovery. Furthermore, this is the first research to assess the performance of structure learning algorithms from seven different families on increasing percentage of non-identifiable, nonlinear causal patterns, inspired by real-world processes. Our large-scale simulation study, which incorporates seven experimental factors, shows that besides causal order-based methods, amortized causal discovery delivers results with comparatively high proximity to the optimal solution.

Machine learning (ML) models often require large amounts of data to perform well. When the available data is limited, model trainers may need to acquire more data from external sources. Often, useful data is held by private entities who are hesitant to share their data due to propriety and privacy concerns. This makes it challenging and expensive for model trainers to acquire the data they need to improve model performance. To address this challenge, we propose Mycroft, a data-efficient method that enables model trainers to evaluate the relative utility of different data sources while working with a constrained data-sharing budget. By leveraging feature space distances and gradient matching, Mycroft identifies small but informative data subsets from each owner, allowing model trainers to maximize performance with minimal data exposure. Experimental results across four tasks in two domains show that Mycroft converges rapidly to the performance of the full-information baseline, where all data is shared. Moreover, Mycroft is robust to noise and can effectively rank data owners by utility. Mycroft can pave the way for democratized training of high performance ML models.

In the rapidly evolving field of autonomous driving, reliable prediction is pivotal for vehicular safety. However, trajectory predictions often deviate from actual paths, particularly in complex and challenging environments, leading to significant errors. To address this issue, our study introduces a novel method for Dynamic Occupancy Set (DOS) prediction, it effectively combines advanced trajectory prediction networks with a DOS prediction module, overcoming the shortcomings of existing models. It provides a comprehensive and adaptable framework for predicting the potential occupancy sets of traffic participants. The innovative contributions of this study include the development of a novel DOS prediction model specifically tailored for navigating complex scenarios, the introduction of precise DOS mathematical representations, and the formulation of optimized loss functions that collectively advance the safety and efficiency of autonomous systems. Through rigorous validation, our method demonstrates marked improvements over traditional models, establishing a new benchmark for safety and operational efficiency in intelligent transportation systems.

Auction-based Federated Learning (AFL) has attracted extensive research interest due to its ability to motivate data owners (DOs) to join FL through economic means. While many existing AFL methods focus on providing decision support to model users (MUs) and the AFL auctioneer, decision support for data owners remains open. To bridge this gap, we propose a first-of-its-kind agent-oriented joint Pricing, Acceptance and Sub-delegation decision support approach for data owners in AFL (PAS-AFL). By considering a DO's current reputation, pending FL tasks, willingness to train FL models, and its trust relationships with other DOs, it provides a systematic approach for a DO to make joint decisions on AFL bid acceptance, task sub-delegation and pricing based on Lyapunov optimization to maximize its utility. It is the first to enable each DO to take on multiple FL tasks simultaneously to earn higher income for DOs and enhance the throughput of FL tasks in the AFL ecosystem. Extensive experiments based on six benchmarking datasets demonstrate significant advantages of PAS-AFL compared to six alternative strategies, beating the best baseline by 28.77% and 2.64% on average in terms of utility and test accuracy of the resulting FL models, respectively.

Auction-based federated learning (AFL) is an important emerging category of FL incentive mechanism design, due to its ability to fairly and efficiently motivate high-quality data owners to join data consumers' (i.e., servers') FL training tasks. To enhance the efficiency in AFL decision support for stakeholders (i.e., data consumers, data owners, and the auctioneer), intelligent agent-based techniques have emerged. However, due to the highly interdisciplinary nature of this field and the lack of a comprehensive survey providing an accessible perspective, it is a challenge for researchers to enter and contribute to this field. This paper bridges this important gap by providing a first-of-its-kind survey on the Intelligent Agents for AFL (IA-AFL) literature. We propose a unique multi-tiered taxonomy that organises existing IA-AFL works according to 1) the stakeholders served, 2) the auction mechanism adopted, and 3) the goals of the agents, to provide readers with a multi-perspective view into this field. In addition, we analyse the limitations of existing approaches, summarise the commonly adopted performance evaluation metrics, and discuss promising future directions leading towards effective and efficient stakeholder-oriented decision support in IA-AFL ecosystems.