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Shuang Luo

Publications and source records attributed to Shuang Luo.

At least 19 recordsLinked to original sources
arXiv2026

VERDICT: Agreement Beats Pixel-Space Verification in Real-Document OCSR

Optical Chemical Structure Recognition (OCSR) converts 2D molecular depictions in the published literature into SMILES, and is increasingly important for constructing large-scale chemical training datasets. Automation at that scale requires identifying unreliable predictions in the absence of ground truth. Three families of label-free signals were compared on $263$ ACS journal depictions with verified ground truth: model confidence, re-rendering similarity, and agreement among recognizers. Pixel-space re-rendering performed little better than chance (AUROC $0.547$, $95\%$ CI $[0.465,0.629]$), and an oracle-tuned threshold on it reduced correct labels per image from $0.745$ to $0.205$. Agreement among four architecturally distinct recognizers instead reached an AUROC of $0.916$ ($[0.880,0.952]$). The two-of-four rule accepted $81.7\%$ of images at $88.8\%$ precision, the three-of-four rule $52.1\%$ at $98.5\%$. The same pattern held on CLEF-IP, UOB, and USPTO. This distinction is obscured on synthetic benchmarks, where re-rendered predictions naturally resemble their inputs. A substance filter removed $2{,}193$ false agreements on wildcards and R-group fragments, after which the three-of-four rule rejected all $68$ generic depictions. VERDICT was then applied to PMC Open Access, producing $6{,}146$ structure labels for $4{,}833$ molecules; chemist adjudication of $400$ released labels in two independent samples yielded precisions of $0.995$ for the three-of-four tier and $0.958$ for the two-of-four tier. VERDICT therefore enables validated labels for multimodal molecular databases linking structure images, machine-readable representations, and source-publication information. In SES AI's Molecular Universe platform, VERDICT further serves as an image-based interface for searching and retrieving molecular records.

cs.CV↗
arXiv2026

Real Data Closes Synthetic-to-Real Gap in Optical Chemical Structure Recognition

Millions of chemical structures appear in patents and papers only as drawings, and using that information at scale requires reading the drawings. OCSR appears nearly solved on synthetic images yet remains difficult on real documents: the starting recognizer, Qwen2.5-VL-7B, exceeds 91% accuracy on synthetic renders but falls below 16% on three real-world benchmarks (ACS, CLEF-IP, USPTO). To identify the main source of improvement, 21 recognizers were fine-tuned on mixtures of synthetically rendered structures and labeled real depictions from patents, journal figures, and hand-drawn collections, varying the vision language model (VLM) base, the fraction of real training data, and the vision-tower adaptation strategy. Labeled real training images make the largest difference. For Qwen2.5-VL, ACS exact match rises from 0.15 with no real data to 0.37 at 9.5% and 0.46 at 50.2%; a controlled experiment across three base models reproduces the trend. A vision-tower LoRA, in contrast, does nothing for Qwen (+0.00, paired p=1.00), substantially helps InternVL3-8B (+22.8 to +34.6 pt), and modestly helps GLM-4.1V-9B (+1.0 to +9.6 pt), so its value depends on the base model. The best configuration reaches 0.96 exact match on clean renders and 0.49, 0.65, 0.84, and 0.76 on ACS, CLEF-IP, UOB, and USPTO, respectively. Gaps between base models are largest without real data (0.21), shrink to 0.06 at 70% real data, and reorder the ranking; base model and real-data mixture must therefore be selected together. Small-scale experiments on handwritten image-to-LaTeX recognition and chart-to-table conversion show that base-model rankings also vary beyond chemistry. More generally, model and adaptation choices for visual structure recognition should be evaluated on the target task.

cs.LG↗
arXiv2026

ACE-Brain-0.5: A Unified Embodied Foundational Model for Physical Agentic AI

Embodied AI is moving from isolated perception or action modules toward physical agents that understand, plan under goals, act through robot bodies, monitor progress, and improve from experience. Existing systems address this loop only in parts: end-to-end policies generate actions but often lack spatial reasoning, planning, and execution assessment, while robot-agent systems orchestrate tools or specialists but do not learn a shared representation. This fragmentation limits general Physical Agentic AI. We present ACE-Brain-0.5, a unified embodied foundation model that organizes robot intelligence into five coupled functions: spatial perception, decision making, embodied interaction, self-monitoring, and self-improvement. Built on ACE-Brain-0, which established spatial intelligence as a shared scaffold across robot platforms, ACE-Brain-0.5 extends an understanding-centric model into a closed-loop foundation model. A single 8B backbone instantiates the first four functions: grounding objects and affordances, reasoning over 3D and egocentric spatial relations, decomposing instructions into subgoals, generating navigation and manipulation actions, and estimating progress for verification and recovery. To unify these capabilities without cross-task interference, we introduce SSR+, which extends Scaffold-Specialize-Reconcile with a Reactivate stage after task-vector merging. The fifth function, self-improvement, is realized by a companion framework that updates external execution state, including task schemas, spatial memory, and failure-recovery cases, from rollouts. Across fifteen benchmarks, ACE-Brain-0.5 improves over ACE-Brain-0 on 14 of 18 spatial perception and grounding benchmarks, achieves competitive navigation and manipulation performance, and provides strong progress estimation in ID and OOD settings. Together, these results mark an early step toward general Physical Agentic AI.

cs.RO↗
arXiv2026

Language as a Latent Variable for Reasoning Optimization

As LLMs reduce English-centric bias, a surprising trend emerges: non-English responses sometimes outperform English on reasoning tasks. We hypothesize that language functions as a latent variable that structurally modulates the model's internal inference pathways, rather than merely serving as an output medium. To test this, we conducted a Polyglot Thinking Experiment, in which models were prompted to solve identical problems under language-constrained and language-unconstrained conditions. Results show that non-English responses often achieve higher accuracy, and the best performance frequently occur when language is unconstrained, suggesting that multilinguality broadens the model's latent reasoning space. Based on this insight, we propose polyGRPO (Polyglot Group Relative Policy Optimization), an RL framework that treats language variation as an implicit exploration signal. It generates polyglot preference data online under language-constrained and unconstrained conditions, optimizing the policy with respect to both answer accuracy and reasoning structure. Trained on only 18.1K multilingual math problems without chain-of-thought annotations, polyGRPO improves the base model (Qwen2.5-7B-Instruct) by 6.72% absolute accuracy on four English reasoning testset and 6.89% in their multilingual benchmark. Remarkably, it is the only method that surpasses the base LLM on English commonsense reasoning task (4.9%), despite being trained solely on math data-highlighting its strong cross-task generalization. Further analysis reveals that treating language as a latent variable expands the model's latent reasoning space, yielding consistent and generalizable improvements in reasoning performance.

cs.CL↗
arXiv2026

ACE-Brain-0: Spatial Intelligence as a Shared Scaffold for Universal Embodiments

Universal embodied intelligence demands robust generalization across heterogeneous embodiments, such as autonomous driving, robotics, and unmanned aerial vehicles (UAVs). However, existing embodied brain in training a unified model over diverse embodiments frequently triggers long-tail data, gradient interference, and catastrophic forgetting, making it notoriously difficult to balance universal generalization with domain-specific proficiency. In this report, we introduce ACE-Brain-0, a generalist foundation brain that unifies spatial reasoning, autonomous driving, and embodied manipulation within a single multimodal large language model~(MLLM). Our key insight is that spatial intelligence serves as a universal scaffold across diverse physical embodiments: although vehicles, robots, and UAVs differ drastically in morphology, they share a common need for modeling 3D mental space, making spatial cognition a natural, domain-agnostic foundation for cross-embodiment transfer. Building on this insight, we propose the Scaffold-Specialize-Reconcile~(SSR) paradigm, which first establishes a shared spatial foundation, then cultivates domain-specialized experts, and finally harmonizes them through data-free model merging. Furthermore, we adopt Group Relative Policy Optimization~(GRPO) to strengthen the model's comprehensive capability. Extensive experiments demonstrate that ACE-Brain-0 achieves competitive and even state-of-the-art performance across 24 spatial and embodiment-related benchmarks.

cs.RO↗
arXiv2025

Step-GUI Technical Report

Recent advances in multimodal large language models unlock unprecedented opportunities for GUI automation. However, a fundamental challenge remains: how to efficiently acquire high-quality training data while maintaining annotation reliability? We introduce a self-evolving training pipeline powered by the Calibrated Step Reward System, which converts model-generated trajectories into reliable training signals through trajectory-level calibration, achieving >90% annotation accuracy with 10-100x lower cost. Leveraging this pipeline, we introduce Step-GUI, a family of models (4B/8B) that achieves state-of-the-art GUI performance (8B: 80.2% AndroidWorld, 48.5% OSWorld, 62.6% ScreenShot-Pro) while maintaining robust general capabilities. As GUI agent capabilities improve, practical deployment demands standardized interfaces across heterogeneous devices while protecting user privacy. To this end, we propose GUI-MCP, the first Model Context Protocol for GUI automation with hierarchical architecture that combines low-level atomic operations and high-level task delegation to local specialist models, enabling high-privacy execution where sensitive data stays on-device. Finally, to assess whether agents can handle authentic everyday usage, we introduce AndroidDaily, a benchmark grounded in real-world mobile usage patterns with 3146 static actions and 235 end-to-end tasks across high-frequency daily scenarios (8B: static 89.91%, end-to-end 52.50%). Our work advances the development of practical GUI agents and demonstrates strong potential for real-world deployment in everyday digital interactions.

cs.CV↗
arXiv2025

Generalized Multi-agent Social Simulation Framework

Multi-agent social interaction has clearly benefited from Large Language Models. However, current simulation systems still face challenges such as difficulties in scaling to diverse scenarios and poor reusability due to a lack of modular design. To address these issues, we designed and developed a modular, object-oriented framework that organically integrates various base classes through a hierarchical structure, harvesting scalability and reusability. We inherited the framework to realize common derived classes. Additionally, a memory summarization mechanism is proposed to filter and distill relevant information from raw memory data, prioritizing contextually salient events and interactions. By selecting and combining some necessary derived classes, we customized a specific simulated environment. Utilizing this simulated environment, we successfully simulated human interactions on social media, replicating real-world online social behaviors. The source code for the project will be released and evolve.

physics.soc-ph↗
arXiv2025

A Theory of Multi-Agent Generative Flow Networks

Generative flow networks utilize a flow-matching loss to learn a stochastic policy for generating objects from a sequence of actions, such that the probability of generating a pattern can be proportional to the corresponding given reward. However, a theoretical framework for multi-agent generative flow networks (MA-GFlowNets) has not yet been proposed. In this paper, we propose the theory framework of MA-GFlowNets, which can be applied to multiple agents to generate objects collaboratively through a series of joint actions. We further propose four algorithms: a centralized flow network for centralized training of MA-GFlowNets, an independent flow network for decentralized execution, a joint flow network for achieving centralized training with decentralized execution, and its updated conditional version. Joint Flow training is based on a local-global principle allowing to train a collection of (local) GFN as a unique (global) GFN. This principle provides a loss of reasonable complexity and allows to leverage usual results on GFN to provide theoretical guarantees that the independent policies generate samples with probability proportional to the reward function. Experimental results demonstrate the superiority of the proposed framework compared to reinforcement learning and MCMC-based methods.

cs.LG↗
arXiv2025

CultureSynth: A Hierarchical Taxonomy-Guided and Retrieval-Augmented Framework for Cultural Question-Answer Synthesis

Cultural competence, defined as the ability to understand and adapt to multicultural contexts, is increasingly vital for large language models (LLMs) in global environments. While several cultural benchmarks exist to assess LLMs' cultural competence, current evaluations suffer from fragmented taxonomies, domain specificity, and heavy reliance on manual data annotation. To address these limitations, we introduce CultureSynth, a novel framework comprising (1) a comprehensive hierarchical multilingual cultural taxonomy covering 12 primary and 130 secondary topics, and (2) a Retrieval-Augmented Generation (RAG)-based methodology leveraging factual knowledge to synthesize culturally relevant question-answer pairs. The CultureSynth-7 synthetic benchmark contains 19,360 entries and 4,149 manually verified entries across 7 languages. Evaluation of 14 prevalent LLMs of different sizes reveals clear performance stratification led by ChatGPT-4o-Latest and Qwen2.5-72B-Instruct. The results demonstrate that a 3B-parameter threshold is necessary for achieving basic cultural competence, models display varying architectural biases in knowledge processing, and significant geographic disparities exist across models. We believe that CultureSynth offers a scalable framework for developing culturally aware AI systems while reducing reliance on manual annotation\footnote{Benchmark is available at https://github.com/Eyr3/CultureSynth.}.

cs.CL↗
arXiv2025

VeriWeb: Verifiable Long-Chain Web Benchmark for Agentic Information-Seeking

Recent advances have showcased the extraordinary capabilities of Large Language Model (LLM) agents in tackling web-based information-seeking tasks. However, existing efforts mainly focus on single-fact retrieval and rely on outcome-only verification, thereby limiting their scalability in realistic knowledge-intensive scenarios that involve long-horizon web tasks requiring large-scale retrieval and synthesis of information from diverse sources. In this work, we introduce VeriWeb, a novel verifiable long-chain web benchmark designed to facilitate the evaluation and development of web agents within realistic web environments. Our benchmark emphasizes two critical dimensions: (1) long-chain complexity, encompassing both breadth- and depth-oriented search tasks to assess how effectively web agents ensure comprehensive information coverage and consistent context tracking in multi-hop reasoning; and (2) subtask-level verifiability, where tasks are decomposed into a sequence of interdependent verifiable subtasks. This structure enables diverse exploration strategies within each subtask, while ensuring that each subtask-level answer remains unchanged and verifiable. The benchmark consists of 302 tasks across five real-world domains, each with a complete trajectory demonstration, annotated by human experts. Extensive experiments on VeriWeb using various agents powered by different foundation models reveal significant performance gaps in handling long-horizon web tasks, highlighting the need for more powerful agentic information-seeking capabilities.

cs.HC↗
arXiv2025

Qwen3 Technical Report

In this work, we present Qwen3, the latest version of the Qwen model family. Qwen3 comprises a series of large language models (LLMs) designed to advance performance, efficiency, and multilingual capabilities. The Qwen3 series includes models of both dense and Mixture-of-Expert (MoE) architectures, with parameter scales ranging from 0.6 to 235 billion. A key innovation in Qwen3 is the integration of thinking mode (for complex, multi-step reasoning) and non-thinking mode (for rapid, context-driven responses) into a unified framework. This eliminates the need to switch between different models--such as chat-optimized models (e.g., GPT-4o) and dedicated reasoning models (e.g., QwQ-32B)--and enables dynamic mode switching based on user queries or chat templates. Meanwhile, Qwen3 introduces a thinking budget mechanism, allowing users to allocate computational resources adaptively during inference, thereby balancing latency and performance based on task complexity. Moreover, by leveraging the knowledge from the flagship models, we significantly reduce the computational resources required to build smaller-scale models, while ensuring their highly competitive performance. Empirical evaluations demonstrate that Qwen3 achieves state-of-the-art results across diverse benchmarks, including tasks in code generation, mathematical reasoning, agent tasks, etc., competitive against larger MoE models and proprietary models. Compared to its predecessor Qwen2.5, Qwen3 expands multilingual support from 29 to 119 languages and dialects, enhancing global accessibility through improved cross-lingual understanding and generation capabilities. To facilitate reproducibility and community-driven research and development, all Qwen3 models are publicly accessible under Apache 2.0.

cs.CL↗
arXiv2024

Multi-Agent Continuous Control with Generative Flow Networks

Generative Flow Networks (GFlowNets) aim to generate diverse trajectories from a distribution in which the final states of the trajectories are proportional to the reward, serving as a powerful alternative to reinforcement learning for exploratory control tasks. However, the individual-flow matching constraint in GFlowNets limits their applications for multi-agent systems, especially continuous joint-control problems. In this paper, we propose a novel Multi-Agent generative Continuous Flow Networks (MACFN) method to enable multiple agents to perform cooperative exploration for various compositional continuous objects. Technically, MACFN trains decentralized individual-flow-based policies in a centralized global-flow-based matching fashion. During centralized training, MACFN introduces a continuous flow decomposition network to deduce the flow contributions of each agent in the presence of only global rewards. Then agents can deliver actions solely based on their assigned local flow in a decentralized way, forming a joint policy distribution proportional to the rewards. To guarantee the expressiveness of continuous flow decomposition, we theoretically derive a consistency condition on the decomposition network. Experimental results demonstrate that the proposed method yields results superior to the state-of-the-art counterparts and better exploration capability. Our code is available at https://github.com/isluoshuang/MACFN.

cs.AI↗
arXiv2023

CodeApex: A Bilingual Programming Evaluation Benchmark for Large Language Models

With the emergence of Large Language Models (LLMs), there has been a significant improvement in the programming capabilities of models, attracting growing attention from researchers. Evaluating the programming capabilities of LLMs is crucial as it reflects the multifaceted abilities of LLMs, and it has numerous downstream applications. In this paper, we propose CodeApex, a bilingual benchmark dataset focusing on the programming comprehension, code generation, and code correction abilities of LLMs. Programming comprehension task tests LLMs on multiple-choice exam questions covering conceptual understanding, commonsense reasoning, and multi-hop reasoning. The code generation task evaluates LLMs through completing C++ functions based on provided descriptions and prototypes. The code correction task asks LLMs to fix real-world erroneous code segments with different error messages. We evaluate 12 widely used LLMs, including both general-purpose and specialized models. GPT-4 exhibits the best programming capabilities, achieving approximate accuracy of 69%, 54%, and 66% on the three tasks, respectively. Compared to human performance, there is still significant room for improvement in LLM programming. We hope that CodeApex can serve as a reference for evaluating the coding capabilities of LLMs, further promoting their development and growth.

cs.CL↗
arXiv2023

GFlowNets with Human Feedback

We propose the GFlowNets with Human Feedback (GFlowHF) framework to improve the exploration ability when training AI models. For tasks where the reward is unknown, we fit the reward function through human evaluations on different trajectories. The goal of GFlowHF is to learn a policy that is strictly proportional to human ratings, instead of only focusing on human favorite ratings like RLHF. Experiments show that GFlowHF can achieve better exploration ability than RLHF.

cs.LG↗
arXiv2023

CFlowNets: Continuous Control with Generative Flow Networks

Generative flow networks (GFlowNets), as an emerging technique, can be used as an alternative to reinforcement learning for exploratory control tasks. GFlowNet aims to generate distribution proportional to the rewards over terminating states, and to sample different candidates in an active learning fashion. GFlowNets need to form a DAG and compute the flow matching loss by traversing the inflows and outflows of each node in the trajectory. No experiments have yet concluded that GFlowNets can be used to handle continuous tasks. In this paper, we propose generative continuous flow networks (CFlowNets) that can be applied to continuous control tasks. First, we present the theoretical formulation of CFlowNets. Then, a training framework for CFlowNets is proposed, including the action selection process, the flow approximation algorithm, and the continuous flow matching loss function. Afterward, we theoretically prove the error bound of the flow approximation. The error decreases rapidly as the number of flow samples increases. Finally, experimental results on continuous control tasks demonstrate the performance advantages of CFlowNets compared to many reinforcement learning methods, especially regarding exploration ability.

cs.LG↗
arXiv2022

Towards Effective Clustered Federated Learning: A Peer-to-peer Framework with Adaptive Neighbor Matching

In federated learning (FL), clients may have diverse objectives, and merging all clients' knowledge into one global model will cause negative transfer to local performance. Thus, clustered FL is proposed to group similar clients into clusters and maintain several global models. In the literature, centralized clustered FL algorithms require the assumption of the number of clusters and hence are not effective enough to explore the latent relationships among clients. In this paper, without assuming the number of clusters, we propose a peer-to-peer (P2P) FL algorithm named PANM. In PANM, clients communicate with peers to adaptively form an effective clustered topology. Specifically, we present two novel metrics for measuring client similarity and a two-stage neighbor matching algorithm based Monte Carlo method and Expectation Maximization under the Gaussian Mixture Model assumption. We have conducted theoretical analyses of PANM on the probability of neighbor estimation and the error gap to the clustered optimum. We have also implemented extensive experiments under both synthetic and real-world clustered heterogeneity. Theoretical analysis and empirical experiments show that the proposed algorithm is superior to the P2P FL counterparts, and it achieves better performance than the centralized cluster FL method. PANM is effective even under extremely low communication budgets.

cs.AI↗
arXiv2022

S2RL: Do We Really Need to Perceive All States in Deep Multi-Agent Reinforcement Learning?

Collaborative multi-agent reinforcement learning (MARL) has been widely used in many practical applications, where each agent makes a decision based on its own observation. Most mainstream methods treat each local observation as an entirety when modeling the decentralized local utility functions. However, they ignore the fact that local observation information can be further divided into several entities, and only part of the entities is helpful to model inference. Moreover, the importance of different entities may change over time. To improve the performance of decentralized policies, the attention mechanism is used to capture features of local information. Nevertheless, existing attention models rely on dense fully connected graphs and cannot better perceive important states. To this end, we propose a sparse state based MARL (S2RL) framework, which utilizes a sparse attention mechanism to discard irrelevant information in local observations. The local utility functions are estimated through the self-attention and sparse attention mechanisms separately, then are combined into a standard joint value function and auxiliary joint value function in the central critic. We design the S2RL framework as a plug-and-play module, making it general enough to be applied to various methods. Extensive experiments on StarCraft II show that S2RL can significantly improve the performance of many state-of-the-art methods.

cs.LG↗
arXiv2021

Learning to Aggregate Multi-Scale Context for Instance Segmentation in Remote Sensing Images

The task of instance segmentation in remote sensing images, aiming at performing per-pixel labeling of objects at instance level, is of great importance for various civil applications. Despite previous successes, most existing instance segmentation methods designed for natural images encounter sharp performance degradations when they are directly applied to top-view remote sensing images. Through careful analysis, we observe that the challenges mainly come from the lack of discriminative object features due to severe scale variations, low contrasts, and clustered distributions. In order to address these problems, a novel context aggregation network (CATNet) is proposed to improve the feature extraction process. The proposed model exploits three lightweight plug-and-play modules, namely dense feature pyramid network (DenseFPN), spatial context pyramid (SCP), and hierarchical region of interest extractor (HRoIE), to aggregate global visual context at feature, spatial, and instance domains, respectively. DenseFPN is a multi-scale feature propagation module that establishes more flexible information flows by adopting inter-level residual connections, cross-level dense connections, and feature re-weighting strategy. Leveraging the attention mechanism, SCP further augments the features by aggregating global spatial context into local regions. For each instance, HRoIE adaptively generates RoI features for different downstream tasks. Extensive evaluations of the proposed scheme on iSAID, DIOR, NWPU VHR-10, and HRSID datasets demonstrate that the proposed approach outperforms state-of-the-arts under similar computational costs. Source code and pre-trained models are available at https://github.com/yeliudev/CATNet.

cs.CV↗