Accurate prediction of lithium-ion battery capacity and its associated uncertainty is essential for reliable battery management but remains challenging due to the stochastic nature of aging. This paper presents a novel method, termed the Condition Diffusion U-Net with Attention (CDUA), which integrates feature engineering and deep learning to address this challenge. The proposed approach employs a diffusion-based generative model for time-series forecasting and incorporates attention mechanisms to enhance predictive performance. Battery capacity is first derived from real-world vehicle operation data. The most relevant features are then identified using the Pearson correlation coefficient and the XGBoost algorithm. These features are used to train the CDUA model, which comprises two core components: (1) a contextual U-Net with self-attention to capture complex temporal dependencies, and (2) a denoising network to reconstruct accurate capacity values from noisy observations. Experimental validation on the real-world vehicle data demonstrates that the proposed CDUA model achieves a relative Mean Absolute Error (MAE) of 0.94% and a relative Root Mean Square Error (RMSE) of 1.14%, with a narrow 95% confidence interval of 3.74% in relative width. These results confirm that CDUA provides both accurate capacity estimation and reliable uncertainty quantification. Comparative experiments further verify its robustness and superior performance over existing mainstream approaches.

Machine-learned force fields (MLFFs), especially pre-trained foundation models, are transforming computational materials science by enabling ab initio-level accuracy at molecular dynamics scales. Yet their rapid rise raises a key question: should researchers train specialist models from scratch, fine-tune generalist foundation models, or use hybrid approaches? The trade-offs in data efficiency, accuracy, cost, and robustness to out-of-distribution failure remain unclear. We introduce a benchmarking framework using defect migration pathways, evaluated through nudged elastic band trajectories, as diagnostic probes that test both interpolation and extrapolation. Using Cr-doped Sb2Te3 as a representative two-dimensional material, we benchmark multiple training paradigms within the MACE architecture across equilibrium, kinetic (atomic migration), and mechanical (interlayer sliding) tasks. Fine-tuned models substantially outperform from-scratch and zero-shot approaches for kinetic properties but show partial loss of long-range physics. Representational analysis reveals distinct, non-overlapping latent encodings, indicating that different training strategies learn different aspects of system physics. This framework provides practical guidelines for MLFF development and establishes migration-based probes as efficient diagnostics linking performance to learned representations, guiding future uncertainty-aware active learning.

Algorithms with predictions} has emerged as a powerful framework to combine the robustness of traditional online algorithms with the data-driven performance benefits of machine-learned (ML) predictions. However, most existing approaches in this paradigm are overly conservative, {as they do not leverage problem structure to optimize performance in a prediction-specific manner}. In this paper, we show that such prediction-specific performance criteria can enable significant performance improvements over the coarser notions of consistency and robustness considered in prior work. Specifically, we propose a notion of \emph{strongly-optimal} algorithms with predictions, which obtain Pareto optimality not just in the worst-case tradeoff between robustness and consistency, but also in the prediction-specific tradeoff between these metrics. We develop a general bi-level optimization framework that enables systematically designing strongly-optimal algorithms in a wide variety of problem settings, and we propose explicit strongly-optimal algorithms for several classic online problems: deterministic and randomized ski rental, and one-max search. Our analysis reveals new structural insights into how predictions can be optimally integrated into online algorithms by leveraging a prediction-specific design. To validate the benefits of our proposed framework, we empirically evaluate our algorithms in case studies on problems including dynamic power management and volatility-based index trading. Our results demonstrate that prediction-specific, strongly-optimal algorithms can significantly improve performance across a variety of online decision-making settings.

Lithium-ion batteries are becoming increasingly omnipresent in energy supply. However, the durability of energy storage using lithium-ion batteries is threatened by their dropping capacity with the growing number of charging/discharging cycles. An accurate capacity prediction is the key to ensure system efficiency and reliability, where the exploitation of battery state information in each cycle has been largely undervalued. In this paper, we propose a semiparametric deep Gaussian process regression framework named SDG-L to give predictions based on the modeling of time series battery state data. By introducing an LSTM feature extractor, the SDG-L is specially designed to better utilize the auxiliary profiling information during charging/discharging process. In experimental studies based on NASA dataset, our proposed method obtains an average test MSE error of 1.2%. We also show that SDG-L achieves better performance compared to existing works and validate the framework using ablation studies.

Lithium plating during fast charging is a critical degradation mechanism that accelerates capacity fade and can trigger catastrophic safety failures. Recent work has identified a distinctive dQ/dV peak above 4.0 V as a reliable signature of plating onset; however, conventional methods for computing dQ/dV rely on finite differencing with filtering, which amplifies sensor noise and introduces bias in peak location. In this paper, we propose a Gaussian Process (GP) framework for lithium plating detection by directly modeling the charge-voltage relationship Q(V) as a stochastic process with calibrated uncertainty. Leveraging the property that derivatives of GPs remain GPs, we infer dQ/dV analytically and probabilistically from the posterior, enabling robust detection without ad hoc smoothing. The framework provides three key benefits: (i) noise-aware inference with hyperparameters learned from data, (ii) closed-form derivatives with credible intervals for uncertainty quantification, and (iii) scalability to online variants suitable for embedded BMS. Experimental validation on Li-ion coin cells across a range of C-rates (0.2C-1C) and temperatures (0-40°C) demonstrates that the GP-based method reliably detects plating peaks under low-temperature, high-rate charging, while correctly reporting no peaks in baseline cases. The concurrence of GP-identified differential peaks, reduced charge throughput, and capacity fade measured via reference performance tests confirms the method's accuracy and robustness, establishing a practical pathway for real-time lithium plating detection.

We consider a setup where experts provide advice on the next query point through binary accept/reject recommendations (labels).

E-14 F Reward Evaluation and Customization F-19 F.1 Load Shifting Penalty ( LS F-19 F.2 Default Reward Function . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . F-19 F.3 Customization of Reward Formulations . . . . . . . . . . . . . . . . . . . . . . . Current Workload - The current workload level, which includes both flexible and non-flexible components. The data center modeled is illustrated in Figure 1. The hot air exits the cabinets and returns to the CRAH via the ceiling.

Conventional time-series generation often ignores domain-specific physical constraints, limiting statistical and physical consistency. We propose a hierarchical framework that embeds the inherent hierarchy of physical laws-conservation, dynamics, boundary, and empirical relations-directly into deep generative models, introducing a new paradigm of physics-informed inductive bias. Our method combines Fourier Neural Operators (FNOs) for learning physical operators with Conditional Flow Matching (CFM) for probabilistic generation, integrated via time-dependent hierarchical constraints and FNO-guided corrections. Experiments on harmonic oscillators, human activity recognition, and lithium-ion battery degradation show 16.3% higher generation quality, 46% fewer physics violations, and 18.5% improved predictive accuracy over baselines.

This paper presents a rotation-invariant embedded platform for simulating (neural) cellular automata (NCA) in modular robotic systems. Inspired by previous work on physical NCA, we introduce key innovations that overcome limitations in prior hardware designs. Our platform features a symmetric, modular structure, enabling seamless connections between cells regardless of orientation. Additionally, each cell is battery-powered, allowing it to operate independently and retain its state even when disconnected from the collective. To demonstrate the platform's applicability, we present a novel rotation-invariant NCA model for isotropic shape classification. The proposed system provides a robust foundation for exploring the physical realization of NCA, with potential applications in distributed robotic systems and self-organizing structures.

We develop a learning-augmented online algorithm that makes decisions based on (potentially inaccurate) predicted lengths of the idle periods. The algorithm's performance is near-optimal when predictions are accurate and