arXiv:2602.18551v1 Announce Type: cross Abstract: The Solid Electrolyte Interphase (SEI) is critical to the performance of lithium-ion batteries, yet its analysis via Operando Infrared (IR) spectroscopy remains experimentally complex and expensive, which limits its accessibility for standard research facilities. To overcome this bottleneck, we formulate a novel task, Operando IR Prediction, which aims to forecast the time-resolved evolution of spectral ``fingerprints'' from a single static spectrum. To facilitate this, we introduce OpIRSpec-7K, the first large-scale operando dataset comprising 7,118 high-quality samples across 10 distinct battery systems, alongside OpIRBench, a comprehensive evaluation benchmark with carefully designed protocols. Addressing the limitations of standard spectrum, video, and sequence models in capturing voltage-driven chemical dynamics and complex composition, we propose Aligned Bi-stream Chemical Constraint (ABCC), an end-to-end physics-aware framework. It reformulates MeanFlow and introduces a novel Chemical Flow to explicitly model reaction trajectories, employs a two-stream disentanglement mechanism for solvent-SEI separation, and enforces physics and spectrum constraints such as mass conservation and peak shifts. ABCC significantly outperforms state-of-the-art static, sequential, and generative baselines. ABCC even generalizes to unseen systems and enables interpretable downstream recovery of SEI formation pathways, supporting AI-driven electrochemical discovery.

arXiv:2602.19271v1 Announce Type: cross Abstract: Second-order optimizers can significantly accelerate large-scale training, yet their naive federated variants are often unstable or even diverge on non-IID data. We show that a key culprit is \emph{preconditioner drift}: client-side second-order training induces heterogeneous \emph{curvature-defined geometries} (i.e., preconditioner coordinate systems), and server-side model averaging updates computed under incompatible metrics, corrupting the global descent direction. To address this geometric mismatch, we propose \texttt{FedPAC}, a \emph{preconditioner alignment and correction} framework for reliable federated second-order optimization. \texttt{FedPAC} explicitly decouples parameter aggregation from geometry synchronization by: (i) \textbf{Alignment} (i.e.,aggregating local preconditioners into a global reference and warm-starting clients via global preconditioner); and (ii) \textbf{Correction} (i.e., steering local preconditioned updates using a global preconditioned direction to suppress long-term drift). We provide drift-coupled non-convex convergence guarantees with linear speedup under partial participation. Empirically, \texttt{FedPAC} consistently improves stability and accuracy across vision and language tasks, achieving up to $5.8\%$ absolute accuracy gain on CIFAR-100 with ViTs. Code is available at https://anonymous.4open.science/r/FedPAC-8B24.