arXiv subjects

Xiaochuan Li

Publications and source records attributed to Xiaochuan Li.

At least 19 recordsLinked to original sources

arXiv2026

Scores Alone Do Not Prove Discovery: The Discovery Certification Protocol for Auditing AI Research Agents

AI research agents combine public information and experimental feedback to produce measurable results. The Discovery Certification Protocol (DCP) turns an outcome claim into an executable audit under a registered model, information boundary, and budget. Gate 1 validates useful improvement. Gate 2 tests recovery by matched agents given the starting information and observed Web content, with run history and new measurements withheld. Core requires adequate registered controls, zero recoveries, and a finite-sample recovery bound. Optional Gate 3 compares truthful and neutral feedback from a shared checkpoint; Evidence adds a supported effect and a null-policy equivalence check. Controlled SQLite and virtual catalyst audits pass both decision kernels. On real-data response surfaces, Yacht and Ionosphere pass the Core kernel after zero recoveries in 96 attempts, with an upper bound of 0.0468. Each target combines ten observed utilities and six predictions into a 16-entry data product. Yacht scores 0.7677 on reconstruction of all 32 switch effects, with utility-prediction MAE 0.0315 on its six unmeasured configurations. Fresh truthful continuations recover the target level in 9/30 and 16/30 trials, respectively, separating achieved utility from process repeatability. A deterministic verifier reproduces these local decisions from frozen records.

cs.MA↗

arXiv2026

Auto Research for Materials: Auditable AI-Scientist Workflows with Held-Out Transfer

Auto Research uses language-model agents to propose, implement, and evaluate machine-learning changes in a closed loop, but is usually judged by its terminal pipeline. A terminal score cannot reveal which technical decision produced a gain or distinguish a reusable discovery from a change adapted to development feedback. We introduce intervention-centered Auto Research, which validates research decisions rather than only final artifacts and makes their reliability measurable. Feature, Model, Representation, and Data axes are searched independently with inner five-fold feedback. Each axis winner is frozen before an outer-holdout matrix compares all alternatives on evidence the loop never sees. Across 701 agent-executed attempts spanning ten Matbench endpoints, outer evidence confirms the selected intervention on nine of ten endpoints and preserves 89.3\% of non-tied intervention orderings. It also rejects an aggregate Representation gain that inner feedback endorsed. The resulting matrix reveals an information-dependent hierarchy. Composition-only tasks support several routes to improvement, whereas structure-informed tasks favor local geometry features and complementary tree ensembles. A subsequent compatibility test combines already frozen Feature and Model code without further search or tuning and raises mean outer-holdout improvement from 19.0\% to 26.3\%. By validating decisions rather than only artifacts, this design turns adaptive search into reusable evidence wherever agents propose executable alternatives against a fixed evaluator.

cs.MA↗

arXiv2026

One Run Is Not an Idea: The Implementation Lottery in Automated Research

Automated research systems use experimental scores both to deliver artifacts and to decide which ideas to retain, transfer, and pursue. Yet one run scores one implementation of an idea. Crediting that realization-level score as evidence about the parent mechanism creates the \emph{implementation lottery}, in which an idea-level conclusion depends on which plausible implementation was sampled. The mismatch is structural whenever one run updates beliefs about a mechanism. We estimate its magnitude. The \emph{Idea Reliability Audit} measures \emph{idea reliability} by validating and freezing candidate cards, sampling fresh-session implementations, using outcome-blind fidelity labels, and rerunning saved artifacts. It reports idea ICC and leave-one-implementation-out (LOO) winner reversal. Prior work generally repeats the task; we repeat the idea. Across 312 assignments on 13 tabular tasks and two coding-agent setups, implementation variance was more than five and ten times same-artifact rerun variance, respectively, and the winner from one implementation draw differed from the winner under the other-two mean in 25.6\% and 43.6\% of decisions. Reversal survives card-level filtering under two outcome-blind review rules. An exploratory diagnostic on three materials-regression workflows with a deterministic evaluator also finds implementation variation dominating the decomposition. These findings distinguish idea reliability from best-of-$N$ artifact utility. Before a score guides idea-level branching, transfer, or research memory, evidence should cover multiple implementations.

cs.MA↗

arXiv2026

ACM: Agentic Context Management for Long Horizon Tasks

Agentic tasks are inherently long-horizon and multi-turn, constantly accumulating context through interactions with the environment. Existing context compression methods inevitably incur information loss and are triggered by rigid heuristic rules, leaving them misaligned with the agent's evolving reasoning focus. We propose Agentic Context Management (ACM), a framework that equips agents with purpose-built context editing tools for lossless context management. Inspired by the interaction between short-term and long-term human memory, the agent autonomously decides when to compress its context, offloads discarded content to an external memory system, and queries it on demand for later retrieval. Building on this framework, we further develop a post-training pipeline that constructs high-quality demonstrations of context management and improves model performance on both agentic search and coding tasks. Further analysis reveals that effective context management reduces peak token pressure, enables extended explorations, and yields more consistent solutions across independent trials. Code, data, and model checkpoints are available at https://github.com/lixiaochuan2020/agentic-context-management.

cs.AI↗

arXiv2026

Closed-loop Auto Research for Molecular Property Prediction: Discovering and Certifying Generalizable Improvements

Closed-loop Auto Research extends automated machine learning from fixed-dataset fitting to changing the research workflow, with language-model agents editing representations and model code and acquiring external evidence. Molecular property prediction spans many small endpoints. We ask whether this action space yields improvements generalizing beyond the validation signal selecting them. We isolate three Auto Research axes, features, models, and external evidence, under a file-level ablation lock attributing each gain to one axis over a strong baseline. Across 36 endpoints in three benchmark suites we score each selected configuration once on a held-out test whose labels the search never read. A routed pipeline taking each endpoint's best validation axis reaches positive held-out gains of 0.013, 0.011, and 0.042, the transferable axis differing by suite, data on TDC, model on Polaris, feature and model on MoleculeNet. The largest model-search gain falls from 0.041 on validation to 0.003 on test, while curated data reaches 0.022 but negative 0.019 on test, two non-transfer signatures. Curated external data raises held-out CYP2C9-substrate performance by 0.17 and half-life by 0.08, admitted through a contamination filter rejecting same-source files overlapping 64 to 89 percent of test structures, necessary but not sufficient for transfer. A matched-trial automated machine learning control did not reproduce the agent's code-level model intervention, reaching 0.006 against 0.042, and the pipeline stays competitive with an 84M-parameter pretrained 3D model on the shared training split. The experiments stay within molecular property prediction, but separating discovery from held-out certification is a domain-agnostic lesson for any closed-loop system optimising a proxy for a held-out quantity.

cs.AI↗

arXiv2026

Auto Research with Specialist Agents Develops Effective and Non-Trivial Training Recipes

We study auto research as a closed empirical loop driven by external measurement. Each submitted trial carries a hypothesis, an executable code edit, an evaluator-owned outcome, and feedback that shapes the next proposal. The output is not a generated paper or a single model checkpoint, but an auditable trajectory of proposals, code diffs, experiments, scores, and failure labels. We instantiate this loop with specialist agents that partition recipe surfaces and share measured lineage across trials. The central empirical finding is that lineage feedback lets agents turn evaluator outcomes, including crashes, budget overruns, size failures, and accuracy-gate misses, into later program-level recipe edits rather than one-shot suggestions. Across 1,197 headline-run trials plus 600 Parameter Golf control trials after one-time setup and launch, humans did not choose proposals, edit recipes, override scores, or repair failed trials during the search. In the three headline runs, the same submitted-trial loop reduces Parameter Golf validation bpb by $0.81\%$, raises NanoChat-D12 CORE by $38.7\%$, and reduces CIFAR-10 Airbench96 wallclock by $4.59\%$, with each task measured by its own external evaluator and legality checks. The trace includes a strict architecture-domain audit of 157 headline-run submissions and program rewrites such as a NanoChat attention-kernel path change. Within this scope the loop autonomously writes code, submits experiments, absorbs feedback, applies and combines known techniques inside each environment, and improves public starting recipes.

cs.MA↗

arXiv2026

Benchmark Test-Time Scaling of General LLM Agents

LLM agents are increasingly expected to function as general-purpose systems capable of resolving open-ended user requests. While existing benchmarks focus on domain-aware environments for developing specialized agents, evaluating general-purpose agents requires more realistic settings that challenge them to operate across multiple skills and tools within a unified environment. We introduce General AgentBench, a benchmark that provides such a unified framework for evaluating general LLM agents across search, coding, reasoning, and tool-use domains. Using General AgentBench, we systematically study test-time scaling behaviors under sequential scaling (iterative interaction) and parallel scaling (sampling multiple trajectories). Evaluation of ten leading LLM agents reveals a substantial performance degradation when moving from domain-specific evaluations to this general-agent setting. Moreover, we find that neither scaling methodology yields effective performance improvements in practice, due to two fundamental limitations: context ceiling in sequential scaling and verification gap in parallel scaling. Code is publicly available at https://github.com/cxcscmu/General-AgentBench.

cs.AI↗

arXiv2025

Who Judges the Judge? LLM Jury-on-Demand: Building Trustworthy LLM Evaluation Systems

As Large Language Models (LLMs) become integrated into high-stakes domains, there is a growing need for evaluation methods that are both scalable for real-time deployment and reliable for critical decision-making. While human evaluation is reliable, it is slow and costly. Single LLM judges are biased, and static juries lack adaptability. To overcome these limitations, we propose LLM Jury-on-Demand - a dynamic, learning-based framework for scalable and context-aware evaluation. Our method trains a set of reliability predictors to assess when LLM judges will agree with human experts, leveraging token distributions, embeddings, and structural input features. This enables a fully adaptive evaluation where, for each data point, an optimal jury of the most reliable judges is dynamically selected, and their scores are aggregated using their reliability as weights. Experiments on summarization and RAG benchmarks show that our dynamic jury system achieves significantly higher correlation with human judgment than both single-judge and static-jury baselines. These results highlight the promise of adaptive, learning-based juries for building scalable, more reliable and trustworthy evaluation systems for modern LLMs in high-stakes domains.

cs.AI↗

arXiv2025

Scaling Computer-Use Grounding via User Interface Decomposition and Synthesis

Graphical user interface (GUI) grounding, the ability to map natural language instructions to specific actions on graphical user interfaces, remains a critical bottleneck in computer use agent development. Current benchmarks oversimplify grounding tasks as short referring expressions, failing to capture the complexity of real-world interactions that require software commonsense, layout understanding, and fine-grained manipulation capabilities. To address these limitations, we introduce OSWorld-G, a comprehensive benchmark comprising 564 finely annotated samples across diverse task types including text matching, element recognition, layout understanding, and precise manipulation. Additionally, we synthesize and release the largest computer use grounding dataset Jedi, which contains 4 million examples through multi-perspective decoupling of tasks. Our multi-scale models trained on Jedi demonstrate its effectiveness by outperforming existing approaches on ScreenSpot-v2, ScreenSpot-Pro, and our OSWorld-G. Furthermore, we demonstrate that improved grounding with Jedi directly enhances agentic capabilities of general foundation models on complex computer tasks, improving from 5% to 27% on OSWorld. Through detailed ablation studies, we identify key factors contributing to grounding performance and verify that combining specialized data for different interface elements enables compositional generalization to novel interfaces. All benchmark, data, checkpoints, and code are open-sourced and available at https://osworld-grounding.github.io.

cs.AI↗

arXiv2025

OpenCUA: Open Foundations for Computer-Use Agents

Vision-language models have demonstrated impressive capabilities as computer-use agents (CUAs) capable of automating diverse computer tasks. As their commercial potential grows, critical details of the most capable CUA systems remain closed. As these agents will increasingly mediate digital interactions and execute consequential decisions on our behalf, the research community needs access to open CUA frameworks to study their capabilities, limitations, and risks. To bridge this gap, we propose OpenCUA, a comprehensive open-source framework for scaling CUA data and foundation models. Our framework consists of: (1) an annotation infrastructure that seamlessly captures human computer-use demonstrations; (2) AgentNet, the first large-scale computer-use task dataset spanning 3 operating systems and 200+ applications and websites; (3) a scalable pipeline that transforms demonstrations into state-action pairs with reflective long Chain-of-Thought reasoning that sustain robust performance gains as data scales. Our end-to-end agent models demonstrate strong performance across CUA benchmarks. In particular, OpenCUA-72B achieves an average success rate of 45.0% on OSWorld-Verified, establishing a new state-of-the-art (SOTA) among open-source models. Further analysis confirms that our approach generalizes well across domains and benefits significantly from increased test-time computation. We release our annotation tool, datasets, code, and models to build open foundations for further CUA research.

cs.AI↗

arXiv2025

Droplet3D: Commonsense Priors from Videos Facilitate 3D Generation

Scaling laws have validated the success and promise of large-data-trained models in creative generation across text, image, and video domains. However, this paradigm faces data scarcity in the 3D domain, as there is far less of it available on the internet compared to the aforementioned modalities. Fortunately, there exist adequate videos that inherently contain commonsense priors, offering an alternative supervisory signal to mitigate the generalization bottleneck caused by limited native 3D data. On the one hand, videos capturing multiple views of an object or scene provide a spatial consistency prior for 3D generation. On the other hand, the rich semantic information contained within the videos enables the generated content to be more faithful to the text prompts and semantically plausible. This paper explores how to apply the video modality in 3D asset generation, spanning datasets to models. We introduce Droplet3D-4M, the first large-scale video dataset with multi-view level annotations, and train Droplet3D, a generative model supporting both image and dense text input. Extensive experiments validate the effectiveness of our approach, demonstrating its ability to produce spatially consistent and semantically plausible content. Moreover, in contrast to the prevailing 3D solutions, our approach exhibits the potential for extension to scene-level applications. This indicates that the commonsense priors from the videos significantly facilitate 3D creation. We have open-sourced all resources including the dataset, code, technical framework, and model weights: https://dropletx.github.io/.

cs.CV↗

arXiv2025

DropletVideo: A Dataset and Approach to Explore Integral Spatio-Temporal Consistent Video Generation

Spatio-temporal consistency is a critical research topic in video generation. A qualified generated video segment must ensure plot plausibility and coherence while maintaining visual consistency of objects and scenes across varying viewpoints. Prior research, especially in open-source projects, primarily focuses on either temporal or spatial consistency, or their basic combination, such as appending a description of a camera movement after a prompt without constraining the outcomes of this movement. However, camera movement may introduce new objects to the scene or eliminate existing ones, thereby overlaying and affecting the preceding narrative. Especially in videos with numerous camera movements, the interplay between multiple plots becomes increasingly complex. This paper introduces and examines integral spatio-temporal consistency, considering the synergy between plot progression and camera techniques, and the long-term impact of prior content on subsequent generation. Our research encompasses dataset construction through to the development of the model. Initially, we constructed a DropletVideo-10M dataset, which comprises 10 million videos featuring dynamic camera motion and object actions. Each video is annotated with an average caption of 206 words, detailing various camera movements and plot developments. Following this, we developed and trained the DropletVideo model, which excels in preserving spatio-temporal coherence during video generation. The DropletVideo dataset and model are accessible at https://dropletx.github.io.

cs.CV↗

arXiv2025

Autonomous Guidewire Navigation for Robot-assisted Endovascular Interventions: A Knowledge-Driven Visual Guidance Approach

Autonomous robots for endovascular interventions hold significant potential to enhance procedural safety and reliability by navigating guidewires with precision, minimizing human error, and reducing surgical time. However, existing methods of guidewire navigation rely on manual demonstration data and have a suboptimal success rate. In this work, we propose a knowledge-driven visual guidance (KVG) method that leverages available visual information from interventional imaging to facilitate guidewire navigation. Our approach integrates image segmentation and detection techniques to extract surgical knowledge, including vascular maps and guidewire positions. We introduce BDA-star, a novel path planning algorithm with boundary distance constraints, to optimize trajectory planning for guidewire navigation. To validate the method, we developed the KVD-Reinforcement Learning environment, where observations consist of real-time guidewire feeding images highlighting the guidewire tip position and the planned path. We proposed a reward function based on the distances from both the guidewire tip to the planned path and the target to evaluate the agent's actions.Additionally, to address stability issues and slow convergence rates associated with direct learning from raw pixels, we incorporated a pre-trained convolutional neural network into the policy network for feature extraction. Experiments conducted on the aortic simulation autonomous guidewire navigation platform demonstrated that the proposed method, targeting the left subclavian artery, left carotid artery and the brachiocephalic artery, achieved a 100\% guidewire navigation success rate, along with reduced movement and retraction distances and trajectories tend to the center of the vessels.

cs.RO↗

arXiv2024

Montessori-Instruct: Generate Influential Training Data Tailored for Student Learning

Synthetic data has been widely used to train large language models, but their generative nature inevitably introduces noisy, non-informative, and misleading learning signals. In this paper, we propose Montessori-Instruct, a novel data synthesis framework that tailors the data synthesis ability of the teacher language model toward the student language model's learning process. Specifically, we utilize local data influence of synthetic training data points on students to characterize students' learning preferences. Then, we train the teacher model with Direct Preference Optimization (DPO) to generate synthetic data tailored toward student learning preferences. Experiments with Llama3-8B-Instruct (teacher) and Llama3-8B (student) on Alpaca Eval and MT-Bench demonstrate that Montessori-Instruct significantly outperforms standard synthesis methods by 18.35\% and 46.24\% relatively. Our method also beats data synthesized by a stronger teacher model, GPT-4o. Further analysis confirms the benefits of teacher's learning to generate more influential training data in the student's improved learning, the advantages of local data influence in accurately measuring student preferences, and the robustness of Montessori-Instruct across different student models. Our code and data are open-sourced at https://github.com/cxcscmu/Montessori-Instruct.

cs.CL↗

arXiv2024

OSWorld: Benchmarking Multimodal Agents for Open-Ended Tasks in Real Computer Environments

Autonomous agents that accomplish complex computer tasks with minimal human interventions have the potential to transform human-computer interaction, significantly enhancing accessibility and productivity. However, existing benchmarks either lack an interactive environment or are limited to environments specific to certain applications or domains, failing to reflect the diverse and complex nature of real-world computer use, thereby limiting the scope of tasks and agent scalability. To address this issue, we introduce OSWorld, the first-of-its-kind scalable, real computer environment for multimodal agents, supporting task setup, execution-based evaluation, and interactive learning across various operating systems such as Ubuntu, Windows, and macOS. OSWorld can serve as a unified, integrated computer environment for assessing open-ended computer tasks that involve arbitrary applications. Building upon OSWorld, we create a benchmark of 369 computer tasks involving real web and desktop apps in open domains, OS file I/O, and workflows spanning multiple applications. Each task example is derived from real-world computer use cases and includes a detailed initial state setup configuration and a custom execution-based evaluation script for reliable, reproducible evaluation. Extensive evaluation of state-of-the-art LLM/VLM-based agents on OSWorld reveals significant deficiencies in their ability to serve as computer assistants. While humans can accomplish over 72.36% of the tasks, the best model achieves only 12.24% success, primarily struggling with GUI grounding and operational knowledge. Comprehensive analysis using OSWorld provides valuable insights for developing multimodal generalist agents that were not possible with previous benchmarks. Our code, environment, baseline models, and data are publicly available at https://os-world.github.io.

cs.AI↗

arXiv2024

Evaluating Robustness of Generative Search Engine on Adversarial Factual Questions

Generative search engines have the potential to transform how people seek information online, but generated responses from existing large language models (LLMs)-backed generative search engines may not always be accurate. Nonetheless, retrieval-augmented generation exacerbates safety concerns, since adversaries may successfully evade the entire system by subtly manipulating the most vulnerable part of a claim. To this end, we propose evaluating the robustness of generative search engines in the realistic and high-risk setting, where adversaries have only black-box system access and seek to deceive the model into returning incorrect responses. Through a comprehensive human evaluation of various generative search engines, such as Bing Chat, PerplexityAI, and YouChat across diverse queries, we demonstrate the effectiveness of adversarial factual questions in inducing incorrect responses. Moreover, retrieval-augmented generation exhibits a higher susceptibility to factual errors compared to LLMs without retrieval. These findings highlight the potential security risks of these systems and emphasize the need for rigorous evaluation before deployment.

cs.CL↗

arXiv2023

Image Content Generation with Causal Reasoning

The emergence of ChatGPT has once again sparked research in generative artificial intelligence (GAI). While people have been amazed by the generated results, they have also noticed the reasoning potential reflected in the generated textual content. However, this current ability for causal reasoning is primarily limited to the domain of language generation, such as in models like GPT-3. In visual modality, there is currently no equivalent research. Considering causal reasoning in visual content generation is significant. This is because visual information contains infinite granularity. Particularly, images can provide more intuitive and specific demonstrations for certain reasoning tasks, especially when compared to coarse-grained text. Hence, we propose a new image generation task called visual question answering with image (VQAI) and establish a dataset of the same name based on the classic \textit{Tom and Jerry} animated series. Additionally, we develop a new paradigm for image generation to tackle the challenges of this task. Finally, we perform extensive experiments and analyses, including visualizations of the generated content and discussions on the potentials and limitations. The code and data are publicly available under the license of CC BY-NC-SA 4.0 for academic and non-commercial usage. The code and dataset are publicly available at: https://github.com/IEIT-AGI/MIX-Shannon/blob/main/projects/VQAI/lgd_vqai.md.

cs.CV↗

arXiv2023

Do Large Language Models Know about Facts?

Large language models (LLMs) have recently driven striking performance improvements across a range of natural language processing tasks. The factual knowledge acquired during pretraining and instruction tuning can be useful in various downstream tasks, such as question answering, and language generation. Unlike conventional Knowledge Bases (KBs) that explicitly store factual knowledge, LLMs implicitly store facts in their parameters. Content generated by the LLMs can often exhibit inaccuracies or deviations from the truth, due to facts that can be incorrectly induced or become obsolete over time. To this end, we aim to comprehensively evaluate the extent and scope of factual knowledge within LLMs by designing the benchmark Pinocchio. Pinocchio contains 20K diverse factual questions that span different sources, timelines, domains, regions, and languages. Furthermore, we investigate whether LLMs are able to compose multiple facts, update factual knowledge temporally, reason over multiple pieces of facts, identify subtle factual differences, and resist adversarial examples. Extensive experiments on different sizes and types of LLMs show that existing LLMs still lack factual knowledge and suffer from various spurious correlations. We believe this is a critical bottleneck for realizing trustworthy artificial intelligence. The dataset Pinocchio and our codes will be publicly available.

cs.CL↗