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MatPROV: A Provenance Graph Dataset of Material Synthesis Extracted from Scientific Literature

arXiv.org Artificial Intelligence

Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis procedures from scientific literature as structured data. However, existing studies often rely on rigid, domain-specific schemas with predefined fields for structuring synthesis procedures or assume that synthesis procedures are linear sequences of operations, which limits their ability to capture the structural complexity of real-world procedures. To address these limitations, we adopt PROV-DM, an international standard for provenance information, which supports flexible, graph-based modeling of procedures. We present MatPROV, a dataset of PROV-DM-compliant synthesis procedures extracted from scientific literature using large language models. MatPROV captures structural complexities and causal relationships among materials, operations, and conditions through visually intuitive directed graphs. This representation enables machine-interpretable synthesis knowledge, opening opportunities for future research such as automated synthesis planning and optimization.


PowerChain: A Verifiable Agentic AI System for Automating Distribution Grid Analyses

arXiv.org Artificial Intelligence

Rapid electrification and decarbonization are increasing the complexity of distribution grid (DG) operation and planning, necessitating advanced computational analyses to ensure reliability and resilience. These analyses depend on disparate workflows comprising complex models, function calls, and data pipelines that require substantial expert knowledge and remain difficult to automate. Workforce and budget constraints further limit utilities' ability to apply such analyses at scale. To address this gap, we build an agentic system PowerChain, which is capable of autonomously performing complex grid analyses. Existing agentic AI systems are typically developed in a bottom-up manner with customized context for predefined analysis tasks; therefore, they do not generalize to tasks that the agent has never seen. In comparison, to generalize to unseen DG analysis tasks, PowerChain dynamically generates structured context by leveraging supervisory signals from self-contained power systems tools (e.g., GridLAB-D) and an optimized set of expert-annotated and verified reasoning trajectories. For complex DG tasks defined in natural language, empirical results on real utility data demonstrate that PowerChain achieves up to a 144/% improvement in performance over baselines.


Can we Evaluate RAGs with Synthetic Data?

arXiv.org Artificial Intelligence

We investigate whether synthetic question-answer (QA) data generated by large language models (LLMs) can serve as an effective proxy for human-labeled benchmarks when the latter is unavailable. We assess the reliability of synthetic benchmarks across two experiments: one varying retriever parameters while keeping the generator fixed, and another varying the generator with fixed retriever parameters. Across four datasets, of which two open-domain and two proprietary, we find that synthetic benchmarks reliably rank the RAGs varying in terms of retriever configuration, aligning well with human-labeled benchmark baselines. However, they do not consistently produce reliable RAG rankings when comparing generator architectures. The breakdown possibly arises from a combination of task mismatch between the synthetic and human benchmarks, and stylistic bias favoring certain generators.


Distilling LLM Prior to Flow Model for Generalizable Agent's Imagination in Object Goal Navigation

arXiv.org Artificial Intelligence

The Object Goal Navigation (ObjectNav) task challenges agents to locate a specified object in an unseen environment by imagining unobserved regions of the scene. Prior approaches rely on deterministic and discriminative models to complete semantic maps, overlooking the inherent uncertainty in indoor layouts and limiting their ability to generalize to unseen environments. In this work, we propose GOAL, a generative flow-based framework that models the semantic distribution of indoor environments by bridging observed regions with LLM-enriched full-scene semantic maps. During training, spatial priors inferred from large language models (LLMs) are encoded as two-dimensional Gaussian fields and injected into target maps, distilling rich contextual knowledge into the flow model and enabling more generalizable completions. Extensive experiments demonstrate that GOAL achieves state-of-the-art performance on MP3D and Gibson, and shows strong generalization in transfer settings to HM3D. Codes and pretrained models are available at https://github.com/Badi-Li/GOAL.


Shuffle-R1: Efficient RL framework for Multimodal Large Language Models via Data-centric Dynamic Shuffle

arXiv.org Artificial Intelligence

Reinforcement learning (RL) has emerged as an effective post-training paradigm for enhancing the reasoning capabilities of multimodal large language model (MLLM). However, current RL pipelines often suffer from training inefficiencies caused by two underexplored issues: Advantage Collapsing, where most advantages in a batch concentrate near zero, and Rollout Silencing, where the proportion of rollouts contributing non-zero gradients diminishes over time. These issues lead to suboptimal gradient updates and hinder long-term learning efficiency. To address these issues, we propose Shuffle-R1, a simple yet principled framework that improves RL fine-tuning efficiency by dynamically restructuring trajectory sampling and batch composition. It introduces (1) Pairwise Trajectory Sampling, which selects high-contrast trajectories with large advantages to improve gradient signal quality, and (2) Advantage-based Batch Shuffle, which increases exposure of valuable rollouts through strategic batch reshuffling. Experiments across multiple reasoning benchmarks demonstrate that our framework consistently outperforms strong RL baselines with minimal computational overhead.


Can Large Language Models Adequately Perform Symbolic Reasoning Over Time Series?

arXiv.org Artificial Intelligence

Uncovering hidden symbolic laws from time series data, as an aspiration dating back to Kepler's discovery of planetary motion, remains a core challenge in scientific discovery and artificial intelligence. While Large Language Models show promise in structured reasoning tasks, their ability to infer interpretable, context-aligned symbolic structures from time series data is still underexplored. To systematically evaluate this capability, we introduce SymbolBench, a comprehensive benchmark designed to assess symbolic reasoning over real-world time series across three tasks: multivariate symbolic regression, Boolean network inference, and causal discovery. Unlike prior efforts limited to simple algebraic equations, SymbolBench spans a diverse set of symbolic forms with varying complexity. We further propose a unified framework that integrates LLMs with genetic programming to form a closed-loop symbolic reasoning system, where LLMs act both as predictors and evaluators. Our empirical results reveal key strengths and limitations of current models, highlighting the importance of combining domain knowledge, context alignment, and reasoning structure to improve LLMs in automated scientific discovery.


Ontology-Enhanced Knowledge Graph Completion using Large Language Models

arXiv.org Artificial Intelligence

Large Language Models (LLMs) have been extensively adopted in Knowledge Graph Completion (KGC), showcasing significant research advancements. However, as black-box models driven by deep neural architectures, current LLM-based KGC methods rely on implicit knowledge representation with parallel propagation of erroneous knowledge, thereby hindering their ability to produce conclusive and decisive reasoning outcomes. We aim to integrate neural-perceptual structural information with ontological knowledge, leveraging the powerful capabilities of LLMs to achieve a deeper understanding of the intrinsic logic of the knowledge. We propose an ontology enhanced KGC method using LLMs -- OL-KGC. It first leverages neural perceptual mechanisms to effectively embed structural information into the textual space, and then uses an automated extraction algorithm to retrieve ontological knowledge from the knowledge graphs (KGs) that needs to be completed, which is further transformed into a textual format comprehensible to LLMs for providing logic guidance. We conducted extensive experiments on three widely-used benchmarks -- FB15K-237, UMLS and WN18RR. The experimental results demonstrate that OL-KGC significantly outperforms existing mainstream KGC methods across multiple evaluation metrics, achieving state-of-the-art performance.


Towards Greater Leverage: Scaling Laws for Efficient Mixture-of-Experts Language Models

arXiv.org Artificial Intelligence

Mixture-of-Experts (MoE) has become a dominant architecture for scaling Large Language Models (LLMs) efficiently by decoupling total parameters from computational cost. However, this decoupling creates a critical challenge: predicting the model capacity of a given MoE configurations (e.g., expert activation ratio and granularity) remains an unresolved problem. To address this gap, we introduce Efficiency Leverage (EL), a metric quantifying the computational advantage of an MoE model over a dense equivalent. We conduct a large-scale empirical study, training over 300 models up to 28B parameters, to systematically investigate the relationship between MoE architectural configurations and EL. Our findings reveal that EL is primarily driven by the expert activation ratio and the total compute budget, both following predictable power laws, while expert granularity acts as a non-linear modulator with a clear optimal range. We integrate these discoveries into a unified scaling law that accurately predicts the EL of an MoE architecture based on its configuration. To validate our derived scaling laws, we designed and trained Ling-mini-beta, a pilot model for Ling-2.0 series with only 0.85B active parameters, alongside a 6.1B dense model for comparison. When trained on an identical 1T high-quality token dataset, Ling-mini-beta matched the performance of the 6.1B dense model while consuming over 7x fewer computational resources, thereby confirming the accuracy of our scaling laws. This work provides a principled and empirically-grounded foundation for the scaling of efficient MoE models.


Goal-VLA: Image-Generative VLMs as Object-Centric World Models Empowering Zero-shot Robot Manipulation

arXiv.org Artificial Intelligence

Generalization remains a fundamental challenge in robotic manipulation. To tackle this challenge, recent Vision-Language-Action (VLA) models build policies on top of Vision-Language Models (VLMs), seeking to transfer their open-world semantic knowledge. However, their zero-shot capability lags significantly behind the base VLMs, as the instruction-vision-action data is too limited to cover diverse scenarios, tasks, and robot embodiments. In this work, we present Goal-VLA, a zero-shot framework that leverages Image-Generative VLMs as world models to generate desired goal states, from which the target object pose is derived to enable generalizable manipulation. The key insight is that object state representation is the golden interface, naturally separating a manipulation system into high-level and low-level policies. This representation abstracts away explicit action annotations, allowing the use of highly generalizable VLMs while simultaneously providing spatial cues for training-free low-level control. To further improve robustness, we introduce a Reflection-through-Synthesis process that iteratively validates and refines the generated goal image before execution. Both simulated and real-world experiments demonstrate that our \name achieves strong performance and inspiring generalizability in manipulation tasks. Supplementary materials are available at https://nus-lins-lab.github.io/goalvlaweb/.


The Translation Barrier Hypothesis: Multilingual Generation with Large Language Models Suffers from Implicit Translation Failure

arXiv.org Artificial Intelligence

Multilingual generation with large language models (LLMs) is often of poor quality for mid- to low-resource languages, but the causes for this are not well-understood. We first demonstrate the existence of an implicit task-solving-->translation pipeline for generation, whereby the model first solves the required task in a largely target-language-agnostic manner, and subsequently translates answer concepts into the intended target language. We hypothesize that the failure of the translation stage, despite task-solving success, is an important culprit for the observed low quality of final outputs, and formalize this as the translation barrier hypothesis. We quantify the extent to which either stage in the pipeline is responsible for final failure for a word translation task across 108 language pairs, and find that the translation barrier explains a dominant portion of error for a majority of language pairs, and is especially severe for low-resource target languages. Our results highlight an important bottleneck for end-to-end multilingual generation, relevant for future work seeking to improve multilinguality in LLMs.