Rationale-Grounded In-Context Learning for Time Series Reasoning with Multimodal Large Language Models

The underperformance of existing multimodal large language models for time series reasoning lies in the absence of rationale priors that connect temporal observations to their downstream outcomes, which leads models to rely on superficial pattern matching rather than principled reasoning. We therefore propose the rationale-grounded in-context learning for time series reasoning, where rationales work as guiding reasoning units rather than post-hoc explanations, and develop the RationaleTS method. Specifically, we firstly induce label-conditioned rationales, composed of reasoning paths from observable evidence to the potential outcomes. Then, we design the hybrid retrieval by balancing temporal patterns and semantic contexts to retrieve correlated rationale priors for the final in-context inference on new samples. We conduct extensive experiments to demonstrate the effectiveness and efficiency of our proposed RationaleTS on three-domain time series reasoning tasks. We will release our code for reproduction.

Multi-scale Graph Autoregressive Modeling: Molecular Property Prediction via Next Token Prediction

We present Connection-Aware Motif Sequencing (CamS), a graph-to-sequence representation that enables decoder-only Transformers to learn molecular graphs via standard next-token prediction (NTP). For molecular property prediction, SMILES-based NTP scales well but lacks explicit topology, whereas graph-native masked modeling captures connectivity but risks disrupting the pivotal chemical details (e.g., activity cliffs). CamS bridges this gap by serializing molecular graphs into structure-rich causal sequences. CamS first mines data-driven connection-aware motifs. It then serializes motifs via scaffold-rooted breadth-first search (BFS) to establish a stable core-to-periphery order. Crucially, CamS enables hierarchical modeling by concatenating sequences from fine to coarse motif scales, allowing the model to condition global scaffolds on dense, uncorrupted local structural evidence. We instantiate CamS-LLaMA by pre-training a vanilla LLaMA backbone on CamS sequences. It achieves state-of-the-art performance on MoleculeNet and the activity-cliff benchmark MoleculeACE, outperforming both SMILES-based language models and strong graph baselines. Interpretability analysis confirms that our multi-scale causal serialization effectively drives attention toward cliff-determining differences.