Hengxing Cai

Andrey Ignatov, Radu Timofte, Cheng-Ming Chiang et al.

Video super-resolution is one of the most popular tasks on mobile devices, being widely used for an automatic improvement of low-bitrate and low-resolution video streams. While numerous solutions have been proposed for this problem, they are usually quite computationally demanding, demonstrating low FPS rates and power efficiency on mobile devices. In this Mobile AI challenge, we address this problem and propose the participants to design an end-to-end real-time video super-resolution solution for mobile NPUs optimized for low energy consumption. The participants were provided with the REDS training dataset containing video sequences for a 4X video upscaling task. The runtime and power efficiency of all models was evaluated on the powerful MediaTek Dimensity 9000 platform with a dedicated AI processing unit capable of accelerating floating-point and quantized neural networks. All proposed solutions are fully compatible with the above NPU, demonstrating an up to 500 FPS rate and 0.2 [Watt / 30 FPS] power consumption. A detailed description of all models developed in the challenge is provided in this paper.

Mingwei Ye, Jiaxi Zhuang, Mingjun Xu et al.

Natural Language to MongoDB Query Language (NL2MQL) is essential for democratizing access to modern document-centric databases. Unlike Text-to-SQL, NL2MQL faces unique challenges from MQL's procedural aggregation pipelines, deeply nested schemas, and ambiguous value grounding. Existing approaches use static prompting or one-shot refinement, which inadequately model these complex contexts and fail to systematically leverage execution feedback for persistent improvement. We propose EvoMQL, a self-evolved framework that unifies evidence-grounded context construction with execution-driven learning through iterative Draft-Refine-Optimize (DRO) cycles. Each cycle uses draft queries to trigger query-aware retrieval, dynamically building compact evidence contexts that resolve schema ambiguities and ground nested paths to concrete values. The model then undergoes online policy optimization with execution-based rewards and curriculum scheduling, with refined models feeding back into subsequent cycles for progressive evolution. Overall, EvoMQL achieves state-of-the-art execution accuracy of 76.6% on the EAI in-distribution benchmark and 83.1% on the TEND out-of-distribution benchmark, outperforming the strongest open-source baselines by up to 9.5% and 5.2%, respectively. With only 3B activated parameters, this closed-loop paradigm enables scalable, continuous improvement of NL2MQL systems in production.

Sihang Li, Jin Huang, Jiaxi Zhuang et al.

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.

Hengxing Cai, Xiaochen Cai, Junhan Chang et al.

Recent breakthroughs in Large Language Models (LLMs) have revolutionized scientific literature analysis. However, existing benchmarks fail to adequately evaluate the proficiency of LLMs in this domain, particularly in scenarios requiring higher-level abilities beyond mere memorization and the handling of multimodal data. In response to this gap, we introduce SciAssess, a benchmark specifically designed for the comprehensive evaluation of LLMs in scientific literature analysis. It aims to thoroughly assess the efficacy of LLMs by evaluating their capabilities in Memorization (L1), Comprehension (L2), and Analysis \& Reasoning (L3). It encompasses a variety of tasks drawn from diverse scientific fields, including biology, chemistry, material, and medicine. To ensure the reliability of SciAssess, rigorous quality control measures have been implemented, ensuring accuracy, anonymization, and compliance with copyright standards. SciAssess evaluates 11 LLMs, highlighting their strengths and areas for improvement. We hope this evaluation supports the ongoing development of LLM applications in scientific literature analysis. SciAssess and its resources are available at \url{https://github.com/sci-assess/SciAssess}.

Yutang Ge, Yaning Cui, Hanzheng Li et al.

Intelligent spectroscopy serves as a pivotal element in AI-driven closed-loop scientific discovery, functioning as the critical bridge between matter structure and artificial intelligence. However, conventional expert-dependent spectral interpretation encounters substantial hurdles, including susceptibility to human bias and error, dependence on limited specialized expertise, and variability across interpreters. To address these challenges, we propose SpecXMaster, an intelligent framework leveraging Agentic Reinforcement Learning (RL) for NMR molecular spectral interpretation. SpecXMaster enables automated extraction of multiplicity information from both 1H and 13C spectra directly from raw FID (free induction decay) data. This end-to-end pipeline enables fully automated interpretation of NMR spectra into chemical structures. It demonstrates superior performance across multiple public NMR interpretation benchmarks and has been refined through iterative evaluations by professional chemical spectroscopists. We believe that SpecXMaster, as a novel methodological paradigm for spectral interpretation, will have a profound impact on the organic chemistry community.

Mingjun Xu, Jinhan Dong, Jue Hou et al.

Multimodal document retrieval systems enable information access across text, images, and layouts, benefiting various domains like document-based question answering, report analysis, and interactive content summarization. Rerankers improve retrieval precision by reordering retrieved candidates. However, current multimodal reranking methods remain underexplored, with significant room for improvement in both training strategies and overall effectiveness. Moreover, the lack of explicit reasoning makes it difficult to analyze and optimize these methods further. In this paper, We propose MM-R5, a MultiModal Reasoning-Enhanced ReRanker via Reinforcement Learning for Document Retrieval, aiming to provide a more effective and reliable solution for multimodal reranking tasks. MM-R5 is trained in two stages: supervised fine-tuning (SFT) and reinforcement learning (RL). In the SFT stage, we focus on improving instruction-following and guiding the model to generate complete and high-quality reasoning chains. To support this, we introduce a novel data construction strategy that produces rich, high-quality reasoning data. In the RL stage, we design a task-specific reward framework, including a reranking reward tailored for multimodal candidates and a composite template-based reward to further refine reasoning quality. We conduct extensive experiments on MMDocIR, a challenging public benchmark spanning multiple domains. MM-R5 achieves state-of-the-art performance on most metrics and delivers comparable results to much larger models on the remaining ones. Moreover, compared to the best retrieval-only method, MM-R5 improves recall@1 by over 4%. These results validate the effectiveness of our reasoning-enhanced training pipeline. Our code is available at https://github.com/i2vec/MM-R5 .

Yanchen Luo, Zhiyuan Liu, Yi Zhao et al.

3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of different shapes while maintaining SE(3) equivariance for 3D coordinates. To achieve this, existing approaches typically maintain separate latent spaces for invariant and equivariant modalities, reducing efficiency in both training and sampling. In this work, we propose \textbf{U}nified Variational \textbf{A}uto-\textbf{E}ncoder for \textbf{3D} Molecular Latent Diffusion Modeling (\textbf{UAE-3D}), a multi-modal VAE that compresses 3D molecules into latent sequences from a unified latent space, while maintaining near-zero reconstruction error. This unified latent space eliminates the complexities of handling multi-modality and equivariance when performing latent diffusion modeling. We demonstrate this by employing the Diffusion Transformer--a general-purpose diffusion model without any molecular inductive bias--for latent generation. Extensive experiments on GEOM-Drugs and QM9 datasets demonstrate that our method significantly establishes new benchmarks in both \textit{de novo} and conditional 3D molecule generation, achieving leading efficiency and quality. On GEOM-Drugs, it reduces FCD by 72.6\% over the previous best result, while achieving over 70\% relative average improvements in geometric fidelity. Our code is released at https://github.com/lyc0930/UAE-3D/.

Jiaxi Zhuang, Yaorui Shi, Jue Hou et al.

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional machine learning models struggle with task transferability, while specialized molecular language models provide little insight into their decision-making processes. To address these limitations, we propose \textbf{MPPReasoner}, a multimodal large language model that incorporates chemical reasoning for molecular property prediction. Our approach, built upon Qwen2.5-VL-7B-Instruct, integrates molecular images with SMILES strings to enable comprehensive molecular understanding. We develop a two-stage training strategy: supervised fine-tuning (SFT) using 16,000 high-quality reasoning trajectories generated through expert knowledge and multiple teacher models, followed by Reinforcement Learning from Principle-Guided Rewards (RLPGR). RLPGR employs verifiable, rule-based rewards that systematically evaluate chemical principle application, molecular structure analysis, and logical consistency through computational verification. Extensive experiments across 8 datasets demonstrate significant performance improvements, with MPPReasoner outperforming the best baselines by 7.91\% and 4.53\% on in-distribution and out-of-distribution tasks respectively. MPPReasoner exhibits exceptional cross-task generalization and generates chemically sound reasoning paths that provide valuable insights into molecular property analysis, substantially enhancing both interpretability and practical utility for chemists. Code is available at https://anonymous.4open.science/r/MPPReasoner-12687.

Shuyi Zhang, Wei Shi, Sihang Li et al.

Large language models (LLMs) have been widely deployed across numerous fields. Reinforcement Learning from Human Feedback (RLHF) leverages reward models (RMs) as proxies for human preferences to align LLM behaviors with human values, making the accuracy, reliability, and interpretability of RMs critical for effective alignment. However, traditional RMs lack interpretability, offer limited insight into the reasoning behind reward assignments, and are inflexible toward user preference shifts. While recent multidimensional RMs aim for improved interpretability, they often fail to provide feature-level attribution and require costly annotations. To overcome these limitations, we introduce the Sparse Autoencoder-enhanced Reward Model (SARM), a novel architecture that integrates a pretrained Sparse Autoencoder (SAE) into a reward model. SARM maps the hidden activations of LLM-based RM into an interpretable, sparse, and monosemantic feature space, from which a scalar head aggregates feature activations to produce transparent and conceptually meaningful reward scores. Empirical evaluations demonstrate that SARM facilitates direct feature-level attribution of reward assignments, allows dynamic adjustment to preference shifts, and achieves superior alignment performance compared to conventional reward models. Our code is available at https://github.com/schrieffer-z/sarm.

Hengxing Cai, Yijie Rao, Ligang Huang et al.

Existing Unmanned Aerial Vehicle (UAV) Vision-Language Navigation (VLN) datasets face issues such as dependence on virtual environments, lack of naturalness in instructions, and limited scale. To address these challenges, we propose AirNav, a large-scale UAV VLN benchmark constructed from real urban aerial data, rather than synthetic environments, with natural and diverse instructions. Additionally, we introduce the AirVLN-R1, which combines Supervised Fine-Tuning and Reinforcement Fine-Tuning to enhance performance and generalization. The feasibility of the model is preliminarily evaluated through real-world tests. Our dataset and code are publicly available.

Yaorui Shi, Sihang Li, Taiyan Zhang et al.

Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven processes. However, molecules generated by artificial intelligence may unintentionally infringe on existing patents, posing legal and financial risks that impede the full automation of drug discovery pipelines. This paper introduces PatentFinder, a novel multi-agent and tool-enhanced intelligence system that can accurately and comprehensively evaluate small molecules for patent infringement. PatentFinder features five specialized agents that collaboratively analyze patent claims and molecular structures with heuristic and model-based tools, generating interpretable infringement reports. To support systematic evaluation, we curate MolPatent-240, a benchmark dataset tailored for patent infringement assessment algorithms. On this benchmark, PatentFinder outperforms baseline methods that rely solely on large language models or specialized chemical tools, achieving a 13.8% improvement in F1-score and a 12% increase in accuracy. Additionally, PatentFinder autonomously generates detailed and interpretable patent infringement reports, showcasing enhanced accuracy and improved interpretability. The high accuracy and interpretability of PatentFinder make it a valuable and reliable tool for automating patent infringement assessments, offering a practical solution for integrating patent protection analysis into the drug discovery pipeline.

Mingjun Xu, Zehui Wang, Hengxing Cai et al.

Retrieval-augmented generation (RAG) systems have predominantly focused on text-based retrieval, limiting their effectiveness in handling visually-rich documents that encompass text, images, tables, and charts. To bridge this gap, we propose a unified multi-granularity multimodal retrieval framework tailored for two benchmark tasks: MMDocIR and M2KR. Our approach integrates hierarchical encoding strategies, modality-aware retrieval mechanisms, and vision-language model (VLM)-based candidate filtering to effectively capture and utilize the complex interdependencies between textual and visual modalities. By leveraging off-the-shelf vision-language models and implementing a training-free hybrid retrieval strategy, our framework demonstrates robust performance without the need for task-specific fine-tuning. Experimental evaluations reveal that incorporating layout-aware search and VLM-based candidate verification significantly enhances retrieval accuracy, achieving a top performance score of 65.56. This work underscores the potential of scalable and reproducible solutions in advancing multimodal document retrieval systems.

Guojiang Zhao, Sihang Li, Zixiang Lu et al.

Large Language Models(LLMs) have demonstrated remarkable performance across various domains, yet their capabilities in molecular reasoning remain insufficiently explored. Current approaches tend to rely heavily on general-purpose prompting, which lacks domain-specific molecular semantics, while those that use fine-tuning strategies often face challenges with interpretability and reasoning depth. To address these issues, we introduce MolReasoner, a two-stage framework designed to transition LLMs from memorization towards chemical reasoning. First, we propose Mol-SFT, which initializes the model's reasoning abilities via synthetic Chain-of-Thought(CoT) samples generated by GPT-4o and verified for chemical accuracy. Subsequently, Mol-RL applies reinforcement learning with specialized reward functions designed explicitly to align chemical structures with linguistic descriptions, thereby enhancing molecular reasoning capabilities. Our approach notably enhances interpretability, improving the model 's molecular understanding and enabling better generalization. Extensive experiments demonstrate that MolReasoner outperforms existing methods, and marking a significant shift from memorization-based outputs to robust chemical reasoning.

Hengxing Cai, Xiaochen Cai, Shuwen Yang et al.

In scientific research and its application, scientific literature analysis is crucial as it allows researchers to build on the work of others. However, the fast growth of scientific knowledge has led to a massive increase in scholarly articles, making in-depth literature analysis increasingly challenging and time-consuming. The emergence of Large Language Models (LLMs) has offered a new way to address this challenge. Known for their strong abilities in summarizing texts, LLMs are seen as a potential tool to improve the analysis of scientific literature. However, existing LLMs have their own limits. Scientific literature often includes a wide range of multimodal elements, such as tables, charts, and molecule, which are hard for text-focused LLMs to understand and analyze. This issue points to the urgent need for new solutions that can fully understand and analyze multimodal content in scientific literature. To answer this demand, we present \textbf{Uni-SMART} (Universal Science Multimodal Analysis and Research Transformer), an innovative model designed for in-depth understanding of multimodal scientific literature. Through rigorous quantitative evaluation across several domains, Uni-SMART demonstrates superior performance over other text-focused LLMs. Furthermore, our exploration extends to practical applications, including patent infringement detection and nuanced analysis of charts. These applications not only highlight Uni-SMART's adaptability but also its potential to revolutionize how we interact with scientific literature.

Hengxing Cai, Jinhan Dong, Jingjun Tan et al.

Unmanned Aerial Vehicle (UAV) Vision-and-Language Navigation (VLN) is vital for applications such as disaster response, logistics delivery, and urban inspection. However, existing methods often struggle with insufficient multimodal fusion, weak generalization, and poor interpretability. To address these challenges, we propose FlightGPT, a novel UAV VLN framework built upon Vision-Language Models (VLMs) with powerful multimodal perception capabilities. We design a two-stage training pipeline: first, Supervised Fine-Tuning (SFT) using high-quality demonstrations to improve initialization and structured reasoning; then, Group Relative Policy Optimization (GRPO) algorithm, guided by a composite reward that considers goal accuracy, reasoning quality, and format compliance, to enhance generalization and adaptability. Furthermore, FlightGPT introduces a Chain-of-Thought (CoT)-based reasoning mechanism to improve decision interpretability. Extensive experiments on the city-scale dataset CityNav demonstrate that FlightGPT achieves state-of-the-art performance across all scenarios, with a 9.22\% higher success rate than the strongest baseline in unseen environments. Our implementation is publicly available.

Yaorui Shi, Yuxin Chen, Siyuan Wang et al.

Large language models face challenges in long-context question answering, where key evidence of a query may be dispersed across millions of tokens. Existing works equip large language models with a memory corpus that is dynamically updated during a single-pass document scan, also known as the "memorize while reading" methods. While this approach scales efficiently, it suffers from irreversible forward-only processing, information loss through overwriting, and sparse reinforcement learning signals. To tackle these challenges, we present ReMemR1, a memory-augmented agent with callback-enhanced memory that allows selective retrieval from the entire memory history and allows non-linear reasoning and revisiting of early evidence. To further strengthen training, we propose Reinforcement Learning with Multi-Level Rewards (RLMLR), which combines final-answer rewards with dense, step-level signals that guide effective memory use. Together, these contributions mitigate information degradation, improve supervision, and support multi-hop memory utilizing. Experiments on long-document QA show significant gains over existing memory-based approaches, which validates ReMemR1 as an effective solution for long-context reasoning agents.

Hengxing Cai, Jinhan Dong, Yijie Rao et al.

Unmanned Aerial Vehicle (UAV) Vision-Language Navigation (VLN) aims to enable agents to accurately localize targets and plan flight paths in complex environments based on natural language instructions, with broad applications in intelligent inspection, disaster rescue, and urban monitoring. Recent progress in Vision-Language Models (VLMs) has provided strong semantic understanding for this task, while reinforcement learning (RL) has emerged as a promising post-training strategy to further improve generalization. However, existing RL methods often suffer from inefficient use of training data, slow convergence, and insufficient consideration of the difficulty variation among training samples, which limits further performance improvement. To address these challenges, we propose \textbf{Semantic-Aware Gaussian Curriculum Scheduling (SA-GCS)}, a novel training framework that systematically integrates Curriculum Learning (CL) into RL. SA-GCS employs a Semantic-Aware Difficulty Estimator (SA-DE) to quantify the complexity of training samples and a Gaussian Curriculum Scheduler (GCS) to dynamically adjust the sampling distribution, enabling a smooth progression from easy to challenging tasks. This design significantly improves training efficiency, accelerates convergence, and enhances overall model performance. Extensive experiments on the CityNav benchmark demonstrate that SA-GCS consistently outperforms strong baselines across all metrics, achieves faster and more stable convergence, and generalizes well across models of different scales, highlighting its robustness and scalability. The implementation of our approach is publicly available.

Jiaxi Zhuang, Kangning Li, Jue Hou et al.

Extracting molecular structure-activity relationships (SARs) from scientific literature and patents is essential for drug discovery and materials research. However, this task remains challenging due to heterogeneous document formats and limitations of existing methods. Specifically, rule-based approaches relying on rigid templates fail to generalize across diverse document layouts, while general-purpose multimodal large language models (MLLMs) lack sufficient accuracy and reliability for specialized tasks, such as layout detection and optical chemical structure recognition (OCSR). To address these challenges, we introduce DocSAR-200, a rigorously annotated benchmark of 200 scientific documents designed specifically for evaluating SAR extraction methods. Additionally, we propose Doc2SAR, a novel synergistic framework that integrates domain-specific tools with MLLMs enhanced via supervised fine-tuning (SFT). Extensive experiments demonstrate that Doc2SAR achieves state-of-the-art performance across various document types, significantly outperforming leading end-to-end baselines. Specifically, Doc2SAR attains an overall Table Recall of 80.78% on DocSAR-200, exceeding end2end GPT-4o by 51.48%. Furthermore, Doc2SAR demonstrates practical usability through efficient inference and is accompanied by a web app.

Jinjin Gu, Haoming Cai, Chao Dong et al.

This paper reports on the NTIRE 2021 challenge on perceptual image quality assessment (IQA), held in conjunction with the New Trends in Image Restoration and Enhancement workshop (NTIRE) workshop at CVPR 2021. As a new type of image processing technology, perceptual image processing algorithms based on Generative Adversarial Networks (GAN) have produced images with more realistic textures. These output images have completely different characteristics from traditional distortions, thus pose a new challenge for IQA methods to evaluate their visual quality. In comparison with previous IQA challenges, the training and testing datasets in this challenge include the outputs of perceptual image processing algorithms and the corresponding subjective scores. Thus they can be used to develop and evaluate IQA methods on GAN-based distortions. The challenge has 270 registered participants in total. In the final testing stage, 13 participating teams submitted their models and fact sheets. Almost all of them have achieved much better results than existing IQA methods, while the winning method can demonstrate state-of-the-art performance.

Majed El Helou, Ruofan Zhou, Sabine Süsstrunk et al.

We review the AIM 2020 challenge on virtual image relighting and illumination estimation. This paper presents the novel VIDIT dataset used in the challenge and the different proposed solutions and final evaluation results over the 3 challenge tracks. The first track considered one-to-one relighting; the objective was to relight an input photo of a scene with a different color temperature and illuminant orientation (i.e., light source position). The goal of the second track was to estimate illumination settings, namely the color temperature and orientation, from a given image. Lastly, the third track dealt with any-to-any relighting, thus a generalization of the first track. The target color temperature and orientation, rather than being pre-determined, are instead given by a guide image. Participants were allowed to make use of their track 1 and 2 solutions for track 3. The tracks had 94, 52, and 56 registered participants, respectively, leading to 20 confirmed submissions in the final competition stage.

Kele Xu, Dawei Feng, Haibo Mi et al.

Audio scene classification, the problem of predicting class labels of audio scenes, has drawn lots of attention during the last several years. However, it remains challenging and falls short of accuracy and efficiency. Recently, Convolutional Neural Network (CNN)-based methods have achieved better performance with comparison to the traditional methods. Nevertheless, conventional single channel CNN may fail to consider the fact that additional cues may be embedded in the multi-channel recordings. In this paper, we explore the use of Multi-channel CNN for the classification task, which aims to extract features from different channels in an end-to-end manner. We conduct the evaluation compared with the conventional CNN and traditional Gaussian Mixture Model-based methods. Moreover, to improve the classification accuracy further, this paper explores the using of mixup method. In brief, mixup trains the neural network on linear combinations of pairs of the representation of audio scene examples and their labels. By employing the mixup approach for data argumentation, the novel model can provide higher prediction accuracy and robustness in contrast with previous models, while the generalization error can also be reduced on the evaluation data.

Kele Xu, Xi Liu, Hengxing Cai et al.

During the last decades, the number of new full-reference image quality assessment algorithms has been increasing drastically. Yet, despite of the remarkable progress that has been made, the medical ultrasound image similarity measurement remains largely unsolved due to a high level of speckle noise contamination. Potential applications of the ultrasound image similarity measurement seem evident in several aspects. To name a few, ultrasound imaging quality assessment, abnormal function region detection, etc. In this paper, a comparative study was made on full-reference image quality assessment methods for ultrasound image visual structural similarity measure. Moreover, based on the image similarity index, a generic ultrasound motion tracking re-initialization framework is given in this work. The experiments are conducted on synthetic data and real-ultrasound liver data and the results demonstrate that, with proposed similarity-based tracking re-initialization, the mean error of landmarks tracking can be decreased from 2 mm to about 1.5 mm in the ultrasound liver sequence.