GTR-CoT: Graph Traversal as Visual Chain of Thought for Molecular Structure Recognition

Optical Chemical Structure Recognition (OCSR) is crucial for digitizing chemical knowledge by converting molecular images into machine-readable formats. While recent vision-language models (VLMs) have shown potential in this task, their image-captioning approach often struggles with complex molecular structures and inconsistent annotations. To overcome these challenges, we introduce GTR-Mol-VLM, a novel framework featuring two key innovations: (1) the \textit{Graph Traversal as Visual Chain of Thought} mechanism that emulates human reasoning by incrementally parsing molecular graphs through sequential atom-bond predictions, and (2) the data-centric principle of \textit{Faithfully Recognize What You've Seen}, which addresses the mismatch between abbreviated structures in images and their expanded annotations. To support model development, we constructed GTR-CoT-1.3M, a large-scale instruction-tuning dataset with meticulously corrected annotations, and introduced MolRec-Bench, the first benchmark designed for a fine-grained evaluation of graph-parsing accuracy in OCSR. Comprehensive experiments demonstrate that GTR-Mol-VLM achieves superior results compared to specialist models, chemistry-domain VLMs, and commercial general-purpose VLMs. Notably, in scenarios involving molecular images with functional group abbreviations, GTR-Mol-VLM outperforms the second-best baseline by approximately 14 percentage points, both in SMILES-based and graph-based metrics. We hope that this work will drive OCSR technology to more effectively meet real-world needs, thereby advancing the fields of cheminformatics and AI for Science. We will release GTR-CoT at https://github.com/opendatalab/GTR-CoT.

Hallucination at a Glance: Controlled Visual Edits and Fine-Grained Multimodal Learning

Multimodal large language models (MLLMs) have achieved strong performance on vision-language tasks but still struggle with fine-grained visual differences, leading to hallucinations or missed semantic shifts. We attribute this to limitations in both training data and learning objectives. To address these issues, we propose a controlled data generation pipeline that produces minimally edited image pairs with semantically aligned captions. Using this pipeline, we construct the Micro Edit Dataset (MED), containing over 50K image-text pairs spanning 11 fine-grained edit categories, including attribute, count, position, and object presence changes. Building on MED, we introduce a supervised fine-tuning (SFT) framework with a feature-level consistency loss that promotes stable visual embeddings under small edits. We evaluate our approach on the Micro Edit Detection benchmark, which includes carefully balanced evaluation pairs designed to test sensitivity to subtle visual variations across the same edit categories. Our method improves difference detection accuracy and reduces hallucinations compared to strong baselines, including GPT-4o. Moreover, it yields consistent gains on standard vision-language tasks such as image captioning and visual question answering. These results demonstrate the effectiveness of combining targeted data and alignment objectives for enhancing fine-grained visual reasoning in MLLMs.

Multi-Step Visual Reasoning with Visual Tokens Scaling and Verification

Multi-modal large language models (MLLMs) have achieved remarkable capabilities by integrating visual perception with language understanding, enabling applications such as image-grounded dialogue, visual question answering, and scientific analysis. However, most MLLMs adopt a static inference paradigm, encoding the entire image into fixed visual tokens upfront, which limits their ability to iteratively refine understanding or adapt to context during inference. This contrasts sharply with human perception, which is dynamic, selective, and feedback-driven. In this work, we introduce a novel framework for inference-time visual token scaling that enables MLLMs to perform iterative, verifier-guided reasoning over visual content. We formulate the problem as a Markov Decision Process, involving a reasoner that proposes visual actions and a verifier, which is trained via multi-step Direct Preference Optimization (DPO), that evaluates these actions and determines when reasoning should terminate. To support this, we present a new dataset, VTS, comprising supervised reasoning trajectories (VTS-SFT) and preference-labeled reasoning comparisons (VTS-DPO). Our method significantly outperforms existing approaches across diverse visual reasoning benchmarks, offering not only improved accuracy but also more interpretable and grounded reasoning processes. These results demonstrate the promise of dynamic inference mechanisms for enabling fine-grained, context-aware visual reasoning in next-generation MLLMs.

Shifting AI Efficiency From Model-Centric to Data-Centric Compression

The rapid advancement of large language models (LLMs) and multi-modal LLMs (MLLMs) has historically relied on model-centric scaling through increasing parameter counts from millions to hundreds of billions to drive performance gains. However, as we approach hardware limits on model size, the dominant computational bottleneck has fundamentally shifted to the quadratic cost of self-attention over long token sequences, now driven by ultra-long text contexts, high-resolution images, and extended videos. In this position paper, \textbf{we argue that the focus of research for efficient AI is shifting from model-centric compression to data-centric compression}. We position token compression as the new frontier, which improves AI efficiency via reducing the number of tokens during model training or inference. Through comprehensive analysis, we first examine recent developments in long-context AI across various domains and establish a unified mathematical framework for existing model efficiency strategies, demonstrating why token compression represents a crucial paradigm shift in addressing long-context overhead. Subsequently, we systematically review the research landscape of token compression, analyzing its fundamental benefits and identifying its compelling advantages across diverse scenarios. Furthermore, we provide an in-depth analysis of current challenges in token compression research and outline promising future directions. Ultimately, our work aims to offer a fresh perspective on AI efficiency, synthesize existing research, and catalyze innovative developments to address the challenges that increasing context lengths pose to the AI community's advancement.

A Survey of LLM $\times$ DATA

The integration of large language model (LLM) and data management (DATA) is rapidly redefining both domains. In this survey, we comprehensively review the bidirectional relationships. On the one hand, DATA4LLM, spanning large-scale data processing, storage, and serving, feeds LLMs with high quality, diversity, and timeliness of data required for stages like pre-training, post-training, retrieval-augmented generation, and agentic workflows: (i) Data processing for LLMs includes scalable acquisition, deduplication, filtering, selection, domain mixing, and synthetic augmentation; (ii) Data Storage for LLMs focuses on efficient data and model formats, distributed and heterogeneous storage hierarchies, KV-cache management, and fault-tolerant checkpointing; (iii) Data serving for LLMs tackles challenges in RAG (e.g., knowledge post-processing), LLM inference (e.g., prompt compression, data provenance), and training strategies (e.g., data packing and shuffling). On the other hand, in LLM4DATA, LLMs are emerging as general-purpose engines for data management. We review recent advances in (i) data manipulation, including automatic data cleaning, integration, discovery; (ii) data analysis, covering reasoning over structured, semi-structured, and unstructured data, and (iii) system optimization (e.g., configuration tuning, query rewriting, anomaly diagnosis), powered by LLM techniques like retrieval-augmented prompting, task-specialized fine-tuning, and multi-agent collaboration.

Evaluating Large Language Model with Knowledge Oriented Language Specific Simple Question Answering

We introduce KoLasSimpleQA, the first benchmark evaluating the multilingual factual ability of Large Language Models (LLMs). Inspired by existing research, we created the question set with features such as single knowledge point coverage, absolute objectivity, unique answers, and temporal stability. These questions enable efficient evaluation using the LLM-as-judge paradigm, testing both the LLMs' factual memory and self-awareness ("know what they don't know"). KoLasSimpleQA expands existing research in two key dimensions: (1) Breadth (Multilingual Coverage): It includes 9 languages, supporting global applicability evaluation. (2) Depth (Dual Domain Design): It covers both the general domain (global facts) and the language-specific domain (such as history, culture, and regional traditions) for a comprehensive assessment of multilingual capabilities. We evaluated mainstream LLMs, including traditional LLM and emerging Large Reasoning Models. Results show significant performance differences between the two domains, particularly in performance metrics, ranking, calibration, and robustness. This highlights the need for targeted evaluation and optimization in multilingual contexts. We hope KoLasSimpleQA will help the research community better identify LLM capability boundaries in multilingual contexts and provide guidance for model optimization. We will release KoLasSimpleQA at https://github.com/opendatalab/KoLasSimpleQA .

IDEAL: Data Equilibrium Adaptation for Multi-Capability Language Model Alignment

Large Language Models (LLMs) have achieved impressive performance through Supervised Fine-tuning (SFT) on diverse instructional datasets. When training on multiple capabilities simultaneously, the mixture training dataset, governed by volumes of data from different domains, is a critical factor that directly impacts the final model's performance. Unlike many studies that focus on enhancing the quality of training datasets through data selection methods, few works explore the intricate relationship between the compositional quantity of mixture training datasets and the emergent capabilities of LLMs. Given the availability of a high-quality multi-domain training dataset, understanding the impact of data from each domain on the model's overall capabilities is crucial for preparing SFT data and training a well-balanced model that performs effectively across diverse domains. In this work, we introduce IDEAL, an innovative data equilibrium adaptation framework designed to effectively optimize volumes of data from different domains within mixture SFT datasets, thereby enhancing the model's alignment and performance across multiple capabilities. IDEAL employs a gradient-based approach to iteratively refine the training data distribution, dynamically adjusting the volumes of domain-specific data based on their impact on downstream task performance. By leveraging this adaptive mechanism, IDEAL ensures a balanced dataset composition, enabling the model to achieve robust generalization and consistent proficiency across diverse tasks. Experiments across different capabilities demonstrate that IDEAL outperforms conventional uniform data allocation strategies, achieving a comprehensive improvement of approximately 7% in multi-task evaluation scores.

Data Whisperer: Efficient Data Selection for Task-Specific LLM Fine-Tuning via Few-Shot In-Context Learning

Fine-tuning large language models (LLMs) on task-specific data is essential for their effective deployment. As dataset sizes grow, efficiently selecting optimal subsets for training becomes crucial to balancing performance and computational costs. Traditional data selection methods often require fine-tuning a scoring model on the target dataset, which is time-consuming and resource-intensive, or rely on heuristics that fail to fully leverage the model's predictive capabilities. To address these challenges, we propose Data Whisperer, an efficient, training-free, attention-based method that leverages few-shot in-context learning with the model to be fine-tuned. Comprehensive evaluations were conducted on both raw and synthetic datasets across diverse tasks and models. Notably, Data Whisperer achieves superior performance compared to the full GSM8K dataset on the Llama-3-8B-Instruct model, using just 10% of the data, and outperforms existing methods with a 3.1-point improvement and a 7.4$\times$ speedup.

Not All Documents Are What You Need for Extracting Instruction Tuning Data

Instruction tuning improves the performance of large language models (LLMs), but it heavily relies on high-quality training data. Recently, LLMs have been used to synthesize instruction data using seed question-answer (QA) pairs. However, these synthesized instructions often lack diversity and tend to be similar to the input seeds, limiting their applicability in real-world scenarios. To address this, we propose extracting instruction tuning data from web corpora that contain rich and diverse knowledge. A naive solution is to retrieve domain-specific documents and extract all QA pairs from them, but this faces two key challenges: (1) extracting all QA pairs using LLMs is prohibitively expensive, and (2) many extracted QA pairs may be irrelevant to the downstream tasks, potentially degrading model performance. To tackle these issues, we introduce EQUAL, an effective and scalable data extraction framework that iteratively alternates between document selection and high-quality QA pair extraction to enhance instruction tuning. EQUAL first clusters the document corpus based on embeddings derived from contrastive learning, then uses a multi-armed bandit strategy to efficiently identify clusters that are likely to contain valuable QA pairs. This iterative approach significantly reduces computational cost while boosting model performance. Experiments on AutoMathText and StackOverflow across four downstream tasks show that EQUAL reduces computational costs by 5-10x and improves accuracy by 2.5 percent on LLaMA-3.1-8B and Mistral-7B

SAS-Bench: A Fine-Grained Benchmark for Evaluating Short Answer Scoring with Large Language Models

Subjective Answer Grading (SAG) plays a crucial role in education, standardized testing, and automated assessment systems, particularly for evaluating short-form responses in Short Answer Scoring (SAS). However, existing approaches often produce coarse-grained scores and lack detailed reasoning. Although large language models (LLMs) have demonstrated potential as zero-shot evaluators, they remain susceptible to bias, inconsistencies with human judgment, and limited transparency in scoring decisions. To overcome these limitations, we introduce SAS-Bench, a benchmark specifically designed for LLM-based SAS tasks. SAS-Bench provides fine-grained, step-wise scoring, expert-annotated error categories, and a diverse range of question types derived from real-world subject-specific exams. This benchmark facilitates detailed evaluation of model reasoning processes and explainability. We also release an open-source dataset containing 1,030 questions and 4,109 student responses, each annotated by domain experts. Furthermore, we conduct comprehensive experiments with various LLMs, identifying major challenges in scoring science-related questions and highlighting the effectiveness of few-shot prompting in improving scoring accuracy. Our work offers valuable insights into the development of more robust, fair, and educationally meaningful LLM-based evaluation systems.