Abstract:Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific discovery progress across multiple aspects and domains. Among these, computer-using agents, capable of interacting with operating systems as humans do, are paving the way to automated scientific problem-solving and addressing routines in researchers' workflows. Recognizing the transformative potential of these agents, we introduce ScienceBoard, which encompasses two complementary contributions: (i) a realistic, multi-domain environment featuring dynamic and visually rich scientific workflows with integrated professional software, where agents can autonomously interact via different interfaces to accelerate complex research tasks and experiments; and (ii) a challenging benchmark of 169 high-quality, rigorously validated real-world tasks curated by humans, spanning scientific-discovery workflows in domains such as biochemistry, astronomy, and geoinformatics. Extensive evaluations of agents with state-of-the-art backbones (e.g., GPT-4o, Claude 3.7, UI-TARS) show that, despite some promising results, they still fall short of reliably assisting scientists in complex workflows, achieving only a 15% overall success rate. In-depth analysis further provides valuable insights for addressing current agent limitations and more effective design principles, paving the way to build more capable agents for scientific discovery. Our code, environment, and benchmark are at https://qiushisun.github.io/ScienceBoard-Home/.
Abstract:Charts are high-density visualization carriers for complex data, serving as a crucial medium for information extraction and analysis. Automated chart understanding poses significant challenges to existing multimodal large language models (MLLMs) due to the need for precise and complex visual reasoning. Current step-by-step reasoning models primarily focus on text-based logical reasoning for chart understanding. However, they struggle to refine or correct their reasoning when errors stem from flawed visual understanding, as they lack the ability to leverage multimodal interaction for deeper comprehension. Inspired by human cognitive behavior, we propose ChartSketcher, a multimodal feedback-driven step-by-step reasoning method designed to address these limitations. ChartSketcher is a chart understanding model that employs Sketch-CoT, enabling MLLMs to annotate intermediate reasoning steps directly onto charts using a programmatic sketching library, iteratively feeding these visual annotations back into the reasoning process. This mechanism enables the model to visually ground its reasoning and refine its understanding over multiple steps. We employ a two-stage training strategy: a cold start phase to learn sketch-based reasoning patterns, followed by off-policy reinforcement learning to enhance reflection and generalization. Experiments demonstrate that ChartSketcher achieves promising performance on chart understanding benchmarks and general vision tasks, providing an interactive and interpretable approach to chart comprehension.
Abstract:Advancing LLM reasoning skills has captivated wide interest. However, current post-training techniques rely heavily on supervisory signals, such as outcome supervision or auxiliary reward models, which face the problem of scalability and high annotation costs. This motivates us to enhance LLM reasoning without the need for external supervision. We introduce a generalizable and purely unsupervised self-training framework, named Genius. Without external auxiliary, Genius requires to seek the optimal response sequence in a stepwise manner and optimize the LLM. To explore the potential steps and exploit the optimal ones, Genius introduces a stepwise foresight re-sampling strategy to sample and estimate the step value by simulating future outcomes. Further, we recognize that the unsupervised setting inevitably induces the intrinsic noise and uncertainty. To provide a robust optimization, we propose an advantage-calibrated optimization (ACO) loss function to mitigate estimation inconsistencies. Combining these techniques together, Genius provides an advanced initial step towards self-improve LLM reasoning with general queries and without supervision, revolutionizing reasoning scaling laws given the vast availability of general queries. The code will be released at https://github.com/xufangzhi/Genius.
Abstract:Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named $\phi$-Decoding. To provide a precise and expressive estimation of step value, $\phi$-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show $\phi$-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.
Abstract:Image captioning has been a longstanding challenge in vision-language research. With the rise of LLMs, modern Vision-Language Models (VLMs) generate detailed and comprehensive image descriptions. However, benchmarking the quality of such captions remains unresolved. This paper addresses two key questions: (1) How well do current VLMs actually perform on image captioning, particularly compared to humans? We built CapArena, a platform with over 6000 pairwise caption battles and high-quality human preference votes. Our arena-style evaluation marks a milestone, showing that leading models like GPT-4o achieve or even surpass human performance, while most open-source models lag behind. (2) Can automated metrics reliably assess detailed caption quality? Using human annotations from CapArena, we evaluate traditional and recent captioning metrics, as well as VLM-as-a-Judge. Our analysis reveals that while some metrics (e.g., METEOR) show decent caption-level agreement with humans, their systematic biases lead to inconsistencies in model ranking. In contrast, VLM-as-a-Judge demonstrates robust discernment at both the caption and model levels. Building on these insights, we release CapArena-Auto, an accurate and efficient automated benchmark for detailed captioning, achieving 94.3% correlation with human rankings at just $4 per test. Data and resources will be open-sourced at https://caparena.github.io.
Abstract:Due to the presence of the natural gap between Knowledge Graph (KG) structures and the natural language, the effective integration of holistic structural information of KGs with Large Language Models (LLMs) has emerged as a significant question. To this end, we propose a two-stage framework to learn and apply quantized codes for each entity, aiming for the seamless integration of KGs with LLMs. Firstly, a self-supervised quantized representation (SSQR) method is proposed to compress both KG structural and semantic knowledge into discrete codes (\ie, tokens) that align the format of language sentences. We further design KG instruction-following data by viewing these learned codes as features to directly input to LLMs, thereby achieving seamless integration. The experiment results demonstrate that SSQR outperforms existing unsupervised quantized methods, producing more distinguishable codes. Further, the fine-tuned LLaMA2 and LLaMA3.1 also have superior performance on KG link prediction and triple classification tasks, utilizing only 16 tokens per entity instead of thousands in conventional prompting methods.
Abstract:Graphical User Interface (GUI) agents powered by Vision-Language Models (VLMs) have demonstrated human-like computer control capability. Despite their utility in advancing digital automation, a critical bottleneck persists: collecting high-quality trajectory data for training. Common practices for collecting such data rely on human supervision or synthetic data generation through executing pre-defined tasks, which are either resource-intensive or unable to guarantee data quality. Moreover, these methods suffer from limited data diversity and significant gaps between synthetic data and real-world environments. To address these challenges, we propose OS-Genesis, a novel GUI data synthesis pipeline that reverses the conventional trajectory collection process. Instead of relying on pre-defined tasks, OS-Genesis enables agents first to perceive environments and perform step-wise interactions, then retrospectively derive high-quality tasks to enable trajectory-level exploration. A trajectory reward model is then employed to ensure the quality of the generated trajectories. We demonstrate that training GUI agents with OS-Genesis significantly improves their performance on highly challenging online benchmarks. In-depth analysis further validates OS-Genesis's efficiency and its superior data quality and diversity compared to existing synthesis methods. Our codes, data, and checkpoints are available at \href{https://qiushisun.github.io/OS-Genesis-Home/}{OS-Genesis Homepage}.
Abstract:Existing efforts in building GUI agents heavily rely on the availability of robust commercial Vision-Language Models (VLMs) such as GPT-4o and GeminiProVision. Practitioners are often reluctant to use open-source VLMs due to their significant performance lag compared to their closed-source counterparts, particularly in GUI grounding and Out-Of-Distribution (OOD) scenarios. To facilitate future research in this area, we developed OS-Atlas - a foundational GUI action model that excels at GUI grounding and OOD agentic tasks through innovations in both data and modeling. We have invested significant engineering effort in developing an open-source toolkit for synthesizing GUI grounding data across multiple platforms, including Windows, Linux, MacOS, Android, and the web. Leveraging this toolkit, we are releasing the largest open-source cross-platform GUI grounding corpus to date, which contains over 13 million GUI elements. This dataset, combined with innovations in model training, provides a solid foundation for OS-Atlas to understand GUI screenshots and generalize to unseen interfaces. Through extensive evaluation across six benchmarks spanning three different platforms (mobile, desktop, and web), OS-Atlas demonstrates significant performance improvements over previous state-of-the-art models. Our evaluation also uncovers valuable insights into continuously improving and scaling the agentic capabilities of open-source VLMs.
Abstract:Chain-of-thought (CoT) has proven to improve the reasoning capability of large language models (LLMs). However, due to the complexity of multimodal scenarios and the difficulty in collecting high-quality CoT data, CoT reasoning in multimodal LLMs has been largely overlooked. To this end, we propose a simple yet effective self-training framework, R3V, which iteratively enhances the model's Vision-language Reasoning by Reflecting on CoT Rationales. Our framework consists of two interleaved parts: (1) iteratively bootstrapping positive and negative solutions for reasoning datasets, and (2) reflection on rationale for learning from mistakes. Specifically, we introduce the self-refine and self-select losses, enabling the model to refine flawed rationale and derive the correct answer by comparing rationale candidates. Experiments on a wide range of vision-language tasks show that R3V consistently improves multimodal LLM reasoning, achieving a relative improvement of 23 to 60 percent over GPT-distilled baselines. Additionally, our approach supports self-reflection on generated solutions, further boosting performance through test-time computation.
Abstract:Digital agents capable of automating complex computer tasks have attracted considerable attention due to their immense potential to enhance human-computer interaction. However, existing agent methods exhibit deficiencies in their generalization and specialization capabilities, especially in handling open-ended computer tasks in real-world environments. Inspired by the rich functionality of the App store, we present AgentStore, a scalable platform designed to dynamically integrate heterogeneous agents for automating computer tasks. AgentStore empowers users to integrate third-party agents, allowing the system to continuously enrich its capabilities and adapt to rapidly evolving operating systems. Additionally, we propose a novel core \textbf{MetaAgent} with the \textbf{AgentToken} strategy to efficiently manage diverse agents and utilize their specialized and generalist abilities for both domain-specific and system-wide tasks. Extensive experiments on three challenging benchmarks demonstrate that AgentStore surpasses the limitations of previous systems with narrow capabilities, particularly achieving a significant improvement from 11.21\% to 23.85\% on the OSWorld benchmark, more than doubling the previous results. Comprehensive quantitative and qualitative results further demonstrate AgentStore's ability to enhance agent systems in both generalization and specialization, underscoring its potential for developing the specialized generalist computer assistant. All our codes will be made publicly available in https://chengyou-jia.github.io/AgentStore-Home.