XDecomposer: Learning Prior-Free Set Decomposition for Multiphase X-ray Diffraction

Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled. While recent advances in representation-based crystal retrieval and generation suggest the possibility of inferring structures directly from PXRD, existing approaches largely assume single-phase inputs and break down in multiphase settings. Here, we present XDecomposer, a prior-free framework for joint decomposition and identification of multiphase XRD patterns without requiring candidate phase lists, structural templates, or prior knowledge of phase number. We formulate multiphase diffraction analysis as a set prediction problem, where the model infers an unordered set of phase-resolved components, their mixture proportions, and corresponding structural representations within a unified architecture. A phase-query-driven decomposition mechanism, together with diffraction-consistent physical reconstruction, enables accurate source separation while preserving crystallographic fidelity. Extensive experiments on both simulated and experimental datasets show that XDecomposer substantially improves reconstruction accuracy and phase identification across diverse chemical systems, while maintaining strong generalization to unseen mixtures. These results provide a practical route toward data-driven, source-resolved multiphase XRD analysis and reduce long-standing dependence on prior-guided iteratively phase matching. The code is openly available at https://github.com/Licht0812/XDecomposer

ToolWeaver: Weaving Collaborative Semantics for Scalable Tool Use in Large Language Models

Prevalent retrieval-based tool-use pipelines struggle with a dual semantic challenge: their retrievers often employ encoders that fail to capture complex semantics, while the Large Language Model (LLM) itself lacks intrinsic tool knowledge from its natural language pretraining. Generative methods offer a powerful alternative by unifying selection and execution, tasking the LLM to directly learn and generate tool identifiers. However, the common practice of mapping each tool to a unique new token introduces substantial limitations: it creates a scalability and generalization crisis, as the vocabulary size explodes and each tool is assigned a semantically isolated token. This approach also creates a semantic bottleneck that hinders the learning of collaborative tool relationships, as the model must infer them from sparse co-occurrences of monolithic tool IDs within a vast library. To address these limitations, we propose ToolWeaver, a novel generative tool learning framework that encodes tools into hierarchical sequences. This approach makes vocabulary expansion logarithmic to the number of tools. Crucially, it enables the model to learn collaborative patterns from the dense co-occurrence of shared codes, rather than the sparse co-occurrence of monolithic tool IDs. We generate these structured codes through a novel tokenization process designed to weave together a tool's intrinsic semantics with its extrinsic co-usage patterns. These structured codes are then integrated into the LLM through a generative alignment stage, where the model is fine-tuned to produce the hierarchical code sequences. Evaluation results with nearly 47,000 tools show that ToolWeaver significantly outperforms state-of-the-art methods, establishing a more scalable, generalizable, and semantically-aware foundation for advanced tool-augmented agents.

GenPilot: A Multi-Agent System for Test-Time Prompt Optimization in Image Generation

Text-to-image synthesis has made remarkable progress, yet accurately interpreting complex and lengthy prompts remains challenging, often resulting in semantic inconsistencies and missing details. Existing solutions, such as fine-tuning, are model-specific and require training, while prior automatic prompt optimization (APO) approaches typically lack systematic error analysis and refinement strategies, resulting in limited reliability and effectiveness. Meanwhile, test-time scaling methods operate on fixed prompts and on noise or sample numbers, limiting their interpretability and adaptability. To solve these, we introduce a flexible and efficient test-time prompt optimization strategy that operates directly on the input text. We propose a plug-and-play multi-agent system called GenPilot, integrating error analysis, clustering-based adaptive exploration, fine-grained verification, and a memory module for iterative optimization. Our approach is model-agnostic, interpretable, and well-suited for handling long and complex prompts. Simultaneously, we summarize the common patterns of errors and the refinement strategy, offering more experience and encouraging further exploration. Experiments on DPG-bench and Geneval with improvements of up to 16.9% and 5.7% demonstrate the strong capability of our methods in enhancing the text and image consistency and structural coherence of generated images, revealing the effectiveness of our test-time prompt optimization strategy. The code is available at https://github.com/27yw/GenPilot.