Xingyu Guo

Huajian Ruan, Jinyang Li, Xingyu Guo et al.

We propose a statistical-field framework for text generated by large language models (LLMs), treating token embeddings as continuous spin variables on a one-dimensional chain. Defining a susceptibility from the connected two-point correlator and an order parameter from the ensemble-averaged embedding field, we vary the \texttt{softmax} temperature $T$ and observe a sharp susceptibility peak near a characteristic $T_c$ with power-law-like scaling, a concurrent rapid change in the order parameter, and a collapse onto a single semantic direction below $T_c$. The intrinsic dimension estimated by the two nearest neighbor (TwoNN) method independently corroborates these findings, reaching a minimum near $T_c$. Results are robust across model scales (Qwen3: 0.6B--32B) and prompt categories. While the phenomenology closely resembles a continuous phase transition, the non-equilibrium nature of autoregressive generation warrants further investigation. Our framework provides quantitative tools for probing the collective statistical structure of LLM outputs and suggests connections between decoding strategies and critical phenomena.

Jiajun Zhang, Yuying Li, Zhixun Li et al.

Vision-Language Models (VLMs) have demonstrated impressive capabilities in code generation across various domains. However, their ability to replicate complex, multi-panel visualizations from real-world data remains largely unassessed. To address this gap, we introduce \textbf{\texttt{RealChart2Code}}, a new large-scale benchmark with over 2,800 instances grounded in authentic datasets and featuring tasks with clear analytical intent. Crucially, it is the first benchmark to systematically evaluate chart generation from large-scale raw data and assess iterative code refinement in a multi-turn conversational setting. Our comprehensive evaluation of 14 leading VLMs on \texttt{RealChart2Code} reveals significant performance degradation compared to simpler benchmarks, highlighting their struggles with complex plot structures and authentic data. Our analysis uncovers a substantial performance gap between proprietary and open-weight models and confirms that even state-of-the-art VLMs often fail to accurately replicate intricate, multi-panel charts. These findings provide valuable insights into the current limitations of VLMs and guide future research directions. We release the benchmark and code at \url{https://github.com/Speakn0w/RealChart2Code}.

Wei Chen, Xingyu Guo, Shuang Li et al.

Generative Recommendation (GR) has emerged as a promising paradigm by formulating item recommendation as a sequence-to-sequence generation task over item identifiers. Recent studies have incorporated multimodal signals to provide richer token-level evidence for generation. However, existing approaches largely rely on alignment-centric fusion and underexplore synergistic information across modalities. In practice, synergistic information plays a critical role in capturing emergent item properties that cannot be inferred from any single modality alone. Such properties encode intrinsic item semantics and guide user preferences, enabling models to move beyond surface-level feature matching. To address this limitation, we propose \textbf{SynGR}, a synergistic generative recommendation framework that explicitly encourages the exploitation of cross-modal dependencies during generation. By constraining overreliance on dominant modalities, SynGR enables the model to capture emergent item semantics beyond shared or modality-specific signals. Extensive experiments across three benchmark datasets demonstrate that SynGR achieves superior performance.

Wei Chen, Xingyu Guo, Shuang Li et al.

Graph Domain Adaptation (GDA) transfers knowledge from labeled source graphs to unlabeled target graphs but is challenged by complex, multi-faceted distributional shifts. Existing methods attempt to reduce distributional shifts by aligning manually selected graph elements (e.g., node attributes or structural statistics), which typically require manually designed graph filters to extract relevant features before alignment. However, such approaches are inflexible: they rely on scenario-specific heuristics, and struggle when dominant discrepancies vary across transfer scenarios. To address these limitations, we propose \textbf{ADAlign}, an Adaptive Distribution Alignment framework for GDA. Unlike heuristic methods, ADAlign requires no manual specification of alignment criteria. It automatically identifies the most relevant discrepancies in each transfer and aligns them jointly, capturing the interplay between attributes, structures, and their dependencies. This makes ADAlign flexible, scenario-aware, and robust to diverse and dynamically evolving shifts. To enable this adaptivity, we introduce the Neural Spectral Discrepancy (NSD), a theoretically principled parametric distance that provides a unified view of cross-graph shifts. NSD leverages neural characteristic function in the spectral domain to encode feature-structure dependencies of all orders, while a learnable frequency sampler adaptively emphasizes the most informative spectral components for each task via minimax paradigm. Extensive experiments on 10 datasets and 16 transfer tasks show that ADAlign not only outperforms state-of-the-art baselines but also achieves efficiency gains with lower memory usage and faster training.

Wei Chen, Xingyu Guo, Shuang Li et al.

Graph Domain Adaptation (GDA) aims to bridge distribution shifts between domains by transferring knowledge from well-labeled source graphs to given unlabeled target graphs. One promising recent approach addresses graph transfer by discretizing the adaptation process, typically through the construction of intermediate graphs or stepwise alignment procedures. However, such discrete strategies often fail in real-world scenarios, where graph structures evolve continuously and nonlinearly, making it difficult for fixed-step alignment to approximate the actual transformation process. To address these limitations, we propose \textbf{DiffGDA}, a \textbf{Diff}usion-based \textbf{GDA} method that models the domain adaptation process as a continuous-time generative process. We formulate the evolution from source to target graphs using stochastic differential equations (SDEs), enabling the joint modeling of structural and semantic transitions. To guide this evolution, a domain-aware network is introduced to steer the generative process toward the target domain, encouraging the diffusion trajectory to follow an optimal adaptation path. We theoretically show that the diffusion process converges to the optimal solution bridging the source and target domains in the latent space. Extensive experiments on 14 graph transfer tasks across 8 real-world datasets demonstrate DiffGDA consistently outperforms state-of-the-art baselines.

Yang Zhong, Hongyu Yu, Jihui Yang et al.

While density functional theory (DFT) serves as a prevalent computational approach in electronic structure calculations, its computational demands and scalability limitations persist. Recently, leveraging neural networks to parameterize the Kohn-Sham DFT Hamiltonian has emerged as a promising avenue for accelerating electronic structure computations. Despite advancements, challenges such as the necessity for computing extensive DFT training data to explore each new system and the complexity of establishing accurate ML models for multi-elemental materials still exist. Addressing these hurdles, this study introduces a universal electronic Hamiltonian model trained on Hamiltonian matrices obtained from first-principles DFT calculations of nearly all crystal structures on the Materials Project. We demonstrate its generality in predicting electronic structures across the whole periodic table, including complex multi-elemental systems, solid-state electrolytes, Moiré twisted bilayer heterostructure, and metal-organic frameworks (MOFs). Moreover, we utilize the universal model to conduct high-throughput calculations of electronic structures for crystals in GeNOME datasets, identifying 3,940 crystals with direct band gaps and 5,109 crystals with flat bands. By offering a reliable efficient framework for computing electronic properties, this universal Hamiltonian model lays the groundwork for advancements in diverse fields, such as easily providing a huge data set of electronic structures and also making the materials design across the whole periodic table possible.