arXiv subjects

Ruobing Wang

Publications and source records attributed to Ruobing Wang.

At least 19 recordsLinked to original sources

arXiv2026

Multimodal Molecular Representation Learning with Graph Neural Networks, Deep & Cross Networks, and SMILES Embeddings

Molecular property prediction often relies on isolated data modalities, where continuous 3D graph neural networks (GNNs) struggle to efficiently capture long-range topological dependencies and exact macroscopic heuristics. In this work, we introduce a parameter-efficient Tri-Branch Modular Fusion Neural Network that synthesizes three orthogonal modalities: 3D spatial geometry (SchNet), discrete topological grammar (SMILES via ChemBERTa), and explicit macroscopic physicochemical descriptors (Deep & Cross Network). By bypassing standard scalar readouts and employing a shared late-fusion architecture, the framework establishes a mathematically rigorous multimodal latent space that effectively resolves the arithmetic and oversmoothing limitations of local message passing. We evaluate the proposed architecture on the QM9 benchmark, targeting the extensive thermodynamic property of atomization energy at 0 K ($U_0^{\mathrm{atom}}$). Through systematic combinatorial ablation and latent bottleneck optimization ($d_e=64$), the tri-modal framework achieves a validation Mean Absolute Error (MAE) of 0.0207 eV. Operating with fewer than one million parameters, this architecture decisively surpasses the sub-chemical accuracy threshold and yields a substantial 20.6% error reduction over a strictly controlled geometric baseline. Ultimately, our findings demonstrate that integrating orthogonal macroscopic and topological data streams provides a synergistic, $\mathcal{O}(1)$ physical shortcut. This multimodal alignment offers a highly efficient alternative to brute-force parameter scaling, establishing a robust surrogate model for high-throughput virtual screening (HTVS) pipelines.

cs.LG↗

arXiv2026

CheckRLM: Effective Knowledge-Thought Coherence Checking in Retrieval-Augmented Reasoning

Reasoning Language Models (RLMs) have significantly improved performance on complex tasks by extending the reasoning chain. However, these chains are prone to containing factual errors, particularly in knowledge-intensive tasks. To address this issue, we propose CheckRLM, a framework that improves the reliability of the reasoning process through Retrieval-Augmented Generation (RAG) by timely checking and correcting factual errors. Specifically, CheckRLM extracts factual claims from the reasoning chain to identify and localize subtle knowledge inconsistencies during inference. Upon detection of errors, a refinement mechanism performs minimal-cost yet precise corrections by leveraging external knowledge, ensuring coherence between the reasoning chain and correct knowledge. Extensive experiments demonstrate that CheckRLM substantially outperforms existing baselines, exhibiting a strong capability to mitigate error accumulation in long-horizon reasoning with lower costs. The code and data are available at https://github.com/AI9Stars/CheckRLM.

cs.CL↗

arXiv2026

CASISR: Circular Arbitrary-Scale Image Super-Resolution

The generalization performance (GP) of deep learning-based arbitrary-scale image super-resolution (ASISR) methods is subject to limited training datasets and unlimited testing datasets. It is vitally significant to enhance the GP of the pretrained ASISR models by making full use of the testing samples. The ASISR models usually employ an open-loop architecture from low-resolution (LR) images to super-resolution (SR) images. The degradation model from SR samples to LR samples is known bicubic down-sampling for the classical ASISR, is supposed down-sampling with additive random noise for the blind ASISR, and is learnable for the real-world ASISR. Combining the ASISR and degradation models, it is potentially possible to adopt a closed-loop architecture based on the automatic control theory for strengthening the GP of the ASISR methods. Therefore, this paper proposes a closed-loop architecture, circular ASISR (CASISR), to lift the capability of image reconstruction. A mathematical nonlinear loop equation is established to describe the CASISR, the reasonability of the CASISR is proven by conditional probability theory, and the stability of the CASISR is proven by Taylor series approximation. The first-order and second-order absolute difference images are defined to compare the image reconstruction performance of the ASISR and the CASISR methods. Comprehensive simulation experiments show that the proposed CASISR approach outperforms the eight state-of-the-art ASISR approaches in the quality of image reconstruction. Especially, the proposed CASISR is extraordinarily suitable for fractional SR scale factors and is extremely effective for text and stripe images with drastically changed edges.

cs.CV↗

arXiv2026

SRG: Score-based Relaxation-guided Generation for Mixed Integer Linear Programming

We propose Score-based Relaxation-guided Generation (SRG), a generative framework based on an approximate formulation of relaxation-guided stochastic differential equations (SDEs) for mixed-integer linear programming. SRG employs a Transformer-based score network that incorporates feasibility and optimality signals into score modeling, encouraging the learned generative model to place more probability mass on feasible, high-quality regions of the solution space. At inference time, SRG directly samples diverse candidate solutions from the learned score model without requiring any additional guidance module. These candidates are then used to construct compact trust-region subproblems for standard MILP solvers. Across multiple public benchmarks, SRG matches or improves upon the solution quality of the strongest learning-based baselines, with particularly strong gains in challenging candidate-generation settings. Moreover, SRG shows promising zero-shot transferability to unseen cross-scale and cross-problem instances, improving solver objectives and reducing search time in several cases through higher-quality initial candidates and compact trust-region search.

cs.LG↗

arXiv2025

CrystalICL: Enabling In-Context Learning for Crystal Generation

Designing crystal materials with desired physicochemical properties remains a fundamental challenge in materials science. While large language models (LLMs) have demonstrated strong in-context learning (ICL) capabilities, existing LLM-based crystal generation approaches are limited to zero-shot scenarios and are unable to benefit from few-shot scenarios. In contrast, human experts typically design new materials by modifying relevant known structures which aligns closely with the few-shot ICL paradigm. Motivated by this, we propose CrystalICL, a novel model designed for few-shot crystal generation. Specifically, we introduce a space-group based crystal tokenization method, which effectively reduces the complexity of modeling crystal symmetry in LLMs. We further introduce a condition-structure aware hybrid instruction tuning framework and a multi-task instruction tuning strategy, enabling the model to better exploit ICL by capturing structure-property relationships from limited data. Extensive experiments on four crystal generation benchmarks demonstrate the superiority of CrystalICL over the leading baseline methods on conditional and unconditional generation tasks.

cs.LG↗

arXiv2025

CECGSR: Circular ECG Super-Resolution

Background and Objective: The electrocardiogram (ECG) plays a crucial role in the diagnosis and treatment of various cardiac diseases. ECG signals suffer from low-resolution (LR) due to the use of convenient acquisition devices, as well as internal and external noises and artifacts. Classical ECG super-resolution (ECGSR) methods adopt an open-loop architecture that converts LR ECG signals to super-resolution (SR) ones. According to the theory of automatic control, a closed-loop framework exhibits superior dynamic and static performance compared with its open-loop counterpart. Methods: This paper proposes a closed-loop approach, termed circular ECGSR (CECGSR), which models the degradation process from SR ECG signals to LR ones. The negative feedback mechanism of the closed-loop system is based on the differences between the LR ECG signals. A mathematical loop equation is constructed to characterize the closed-loop infrastructure. The Taylor series expansion is employed to demonstrate the near-zero steady-state error of the proposed method. A Plug-and-Play strategy is considered to establish the SR unit of the proposed architecture, leveraging any existing advanced open-loop ECGSR methods. This paper also presents Transformer model based open-loop ECGSR and closed-loop CECGSR algorithms. Results: Simulation experiments on both noiseless and noisy subsets of the Physikalisch-Technische Bundesanstalt-Extra Large (PTB-XL) datasets demonstrate that the proposed CECGSR outperforms state-of-the-art open-loop ECGSR algorithms in the reconstruction performance of ECG signals. Conclusions: The proposed method will efficiently enrich ECG signal details and remove ECG signal artifacts in clinical applications.

eess.SP↗

arXiv2025

R-Search: Empowering LLM Reasoning with Search via Multi-Reward Reinforcement Learning

Large language models (LLMs) have notably progressed in multi-step and long-chain reasoning. However, extending their reasoning capabilities to encompass deep interactions with search remains a non-trivial challenge, as models often fail to identify optimal reasoning-search interaction trajectories, resulting in suboptimal responses. We propose R-Search, a novel reinforcement learning framework for Reasoning-Search integration, designed to enable LLMs to autonomously execute multi-step reasoning with deep search interaction, and learn optimal reasoning search interaction trajectories via multi-reward signals, improving response quality in complex logic- and knowledge-intensive tasks. R-Search guides the LLM to dynamically decide when to retrieve or reason, while globally integrating key evidence to enhance deep knowledge interaction between reasoning and search. During RL training, R-Search provides multi-stage, multi-type rewards to jointly optimize the reasoning-search trajectory. Experiments on seven datasets show that R-Search outperforms advanced RAG baselines by up to 32.2% (in-domain) and 25.1% (out-of-domain). The code and data are available at https://github.com/QingFei1/R-Search.

cs.CL↗

arXiv2025

KARE-RAG: Knowledge-Aware Refinement and Enhancement for RAG

Retrieval-Augmented Generation (RAG) equips large language models with external knowledge and is central to knowledge-intensive tasks. As RAG systems enter real-world use, generators must reliably leverage retrieved evidence. Recent fine-tuning methods improve adaptation to RAG scenarios, but optimization remains challenging because retrieval may return incomplete, fragmented, noisy, or conflicting contexts. Complex tasks further require fine-grained evidence dependencies. These challenges make high-quality supervision costly and limit generalization. We present KARE-RAG (Knowledge-Aware Refinement and Enhancement for RAG), a training-time scaffolded alignment framework. It uses structured knowledge representations as temporary scaffolds to expose evidence organization, support localized factual refinement, and construct fine-grained preference pairs. In our main implementation, an expert LLM refines a lightweight graph-structured evidence sketch. The generator is optimized with token-weighted Dense Direct Preference Optimization (DDPO), which focuses learning on edited scaffold regions. Scaffolds are used only for data construction and training supervision. At inference time, the model runs as standard Vanilla RAG without graph construction, extra retrieval, or latency overhead. Experiments show that KARE improves transfer across the evaluated QA and relation extraction datasets with limited training data, while leaving general capabilities largely unchanged. KARE can also complement existing RAG training objectives as an additional alignment stage.

cs.CL↗

arXiv2025

UltraRAG: A Modular and Automated Toolkit for Adaptive Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) significantly enhances the performance of large language models (LLMs) in downstream tasks by integrating external knowledge. To facilitate researchers in deploying RAG systems, various RAG toolkits have been introduced. However, many existing RAG toolkits lack support for knowledge adaptation tailored to specific application scenarios. To address this limitation, we propose UltraRAG, a RAG toolkit that automates knowledge adaptation throughout the entire workflow, from data construction and training to evaluation, while ensuring ease of use. UltraRAG features a user-friendly WebUI that streamlines the RAG process, allowing users to build and optimize systems without coding expertise. It supports multimodal input and provides comprehensive tools for managing the knowledge base. With its highly modular architecture, UltraRAG delivers an end-to-end development solution, enabling seamless knowledge adaptation across diverse user scenarios. The code, demonstration videos, and installable package for UltraRAG are publicly available at https://github.com/OpenBMB/UltraRAG.

cs.IR↗

arXiv2025

Amorphous phase-change memory alloy with no resistance drift

Spontaneous structural relaxation is intrinsic to glassy materials due to their metastable nature. For phase-change materials (PCMs), the resultant temporal change in electrical resistance seriously hamper in-memory computing (IMC) applications. Here, we report an ab-initio-calculation-informed design of amorphous PCM composed of robust "molecule-like" motifs with minimal Peierls distortion, depriving the amorphous alloy of structural ingredients that would gradually evolve upon aging to entail resistance drift. We demonstrate amorphous CrTe3 thin films that display practically no resistance drift at any working temperature from -200 to 165 degree C. We achieve multilevel programming of CrTe3 through both step-wise crystallization and step-wise amorphization using a hybrid opto-electronic device at various temperatures. Moreover, the application potential of CrTe3 in neuromorphic computing is testified by its incorporation in a vehicle with automatic path-tracking function. Our work opens a new avenue to achieving IMC-requisite properties via judicious design of the composition and atomic-level structure of disordered PCM alloys.

cond-mat.mtrl-sci↗

arXiv2024

KBAlign: Efficient Self Adaptation on Specific Knowledge Bases

Although retrieval-augmented generation (RAG) remains essential for knowledge-based question answering (KBQA), current paradigms face critical challenges under specific domains. Existing methods struggle with targeted adaptation on small-scale KBs: vanilla unsupervised training exhibits poor effectiveness, while fine-tuning incurs prohibitive costs of external signals. We present KBAlign, a self-supervised framework that enhances RAG systems through efficient model adaptation. Our key insight is to leverage the model's intrinsic capabilities for knowledge alignment through two innovative mechanisms: multi-grained self-annotation that captures global knowledge for data construction, and iterative tuning that accelerates convergence through self verification. This framework enables cost-effective model adaptation to specific textual KBs, without human supervision or external model assistance. Experiments demonstrate that KBAlign can achieve 90\% of the performance gain obtained through GPT-4-supervised adaptation, while relying entirely on self-annotation of much smaller models. KBAlign significantly improves downstream QA accuracy across multiple domains with tiny costs, particularly benefiting scenarios requiring deep knowledge integration from specialized corpora. We release our experimental data, models, and process analyses to the community for further exploration (https://github.com/thunlp/KBAlign).

cs.CL↗

arXiv2024

PrefRAG: Preference-Driven Multi-Source Retrieval Augmented Generation

Retrieval-Augmented Generation (RAG) has emerged as a reliable external knowledge augmentation technique to mitigate hallucination issues and parameterized knowledge limitations in Large Language Models (LLMs). Existing adaptive RAG (ARAG) systems excel at in-depth exploration within a single source but struggle to effectively and controllably explore different retrieval sources, as they fail to foresee their internal knowledge features. We develop a novel multi-source ARAG system, PrefRAG, which enhances RAG by enabling in-depth and controllable exploration of diverse retrieval sources through preference-driven adaptive retrieval and self-reflection. PrefRAG first fully explores controllable local sources in adaptive retrieval and supplements with the web when appropriate, ultimately selecting the optimal source for knowledge observation. Subsequently, PrefRAG feeds answer quality feedback into the retrieval process, optimizing it from the generation perspective to produce higher-quality responses. Extensive experiments confirm its superiority, high retrieval efficiency, and knowledge controllability. PrefRAG outperforms Vanilla RAG and the leading MS-ARAG by up to 25.6% and 13.9% respectively. Additionally, PrefRAG trained with DPO achieves higher performance. The code and data are available at https://github.com/QingFei1/PrefRAG.git.

cs.CL↗

arXiv2024

LongRAG: A Dual-Perspective Retrieval-Augmented Generation Paradigm for Long-Context Question Answering

Long-Context Question Answering (LCQA), a challenging task, aims to reason over long-context documents to yield accurate answers to questions. Existing long-context Large Language Models (LLMs) for LCQA often struggle with the "lost in the middle" issue. Retrieval-Augmented Generation (RAG) mitigates this issue by providing external factual evidence. However, its chunking strategy disrupts the global long-context information, and its low-quality retrieval in long contexts hinders LLMs from identifying effective factual details due to substantial noise. To this end, we propose LongRAG, a general, dual-perspective, and robust LLM-based RAG system paradigm for LCQA to enhance RAG's understanding of complex long-context knowledge (i.e., global information and factual details). We design LongRAG as a plug-and-play paradigm, facilitating adaptation to various domains and LLMs. Extensive experiments on three multi-hop datasets demonstrate that LongRAG significantly outperforms long-context LLMs (up by 6.94%), advanced RAG (up by 6.16%), and Vanilla RAG (up by 17.25%). Furthermore, we conduct quantitative ablation studies and multi-dimensional analyses, highlighting the effectiveness of the system's components and fine-tuning strategies. Data and code are available at https://github.com/QingFei1/LongRAG.

cs.CL↗

arXiv2024

DeepNote: Note-Centric Deep Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) mitigates factual errors and hallucinations in Large Language Models (LLMs) for question-answering (QA) by incorporating external knowledge. However, existing adaptive RAG methods rely on LLMs to predict retrieval timing and directly use retrieved information for generation, often failing to reflect real information needs and fully leverage retrieved knowledge. We develop DeepNote, an adaptive RAG framework that achieves in-depth and robust exploration of knowledge sources through note-centric adaptive retrieval. DeepNote employs notes as carriers for refining and accumulating knowledge. During in-depth exploration, it uses these notes to determine retrieval timing, formulate retrieval queries, and iteratively assess knowledge growth, ultimately leveraging the best note for answer generation. Extensive experiments and analyses demonstrate that DeepNote significantly outperforms all baselines (+10.2% to +20.1%) and exhibits the ability to gather knowledge with both high density and quality. Additionally, DPO further improves the performance of DeepNote. The code and data are available at https://github.com/thunlp/DeepNote.

cs.CL↗

arXiv2024

Pioneering Reliable Assessment in Text-to-Image Knowledge Editing: Leveraging a Fine-Grained Dataset and an Innovative Criterion

During pre-training, the Text-to-Image (T2I) diffusion models encode factual knowledge into their parameters. These parameterized facts enable realistic image generation, but they may become obsolete over time, thereby misrepresenting the current state of the world. Knowledge editing techniques aim to update model knowledge in a targeted way. However, facing the dual challenges posed by inadequate editing datasets and unreliable evaluation criterion, the development of T2I knowledge editing encounter difficulties in effectively generalizing injected knowledge. In this work, we design a T2I knowledge editing framework by comprehensively spanning on three phases: First, we curate a dataset \textbf{CAKE}, comprising paraphrase and multi-object test, to enable more fine-grained assessment on knowledge generalization. Second, we propose a novel criterion, \textbf{adaptive CLIP threshold}, to effectively filter out false successful images under the current criterion and achieve reliable editing evaluation. Finally, we introduce \textbf{MPE}, a simple but effective approach for T2I knowledge editing. Instead of tuning parameters, MPE precisely recognizes and edits the outdated part of the conditioning text-prompt to accommodate the up-to-date knowledge. A straightforward implementation of MPE (Based on in-context learning) exhibits better overall performance than previous model editors. We hope these efforts can further promote faithful evaluation of T2I knowledge editing methods.

cs.CL↗

arXiv2024

RAGEval: Scenario Specific RAG Evaluation Dataset Generation Framework

Retrieval-Augmented Generation (RAG) is a powerful approach that enables large language models (LLMs) to incorporate external knowledge. However, evaluating the effectiveness of RAG systems in specialized scenarios remains challenging due to the high costs of data construction and the lack of suitable evaluation metrics. This paper introduces RAGEval, a framework designed to assess RAG systems across diverse scenarios by generating high-quality documents, questions, answers, and references through a schema-based pipeline. With a focus on factual accuracy, we propose three novel metrics: Completeness, Hallucination, and Irrelevance to evaluate LLM generated responses rigorously. Experimental results show that RAGEval outperforms zero-shot and one-shot methods in terms of clarity, safety, conformity, and richness of generated samples. Furthermore, the use of LLMs for scoring the proposed metrics demonstrates a high level of consistency with human evaluations. RAGEval establishes a new paradigm for evaluating RAG systems in real-world applications. The code and dataset are released at https://github.com/OpenBMB/RAGEval.

cs.CL↗

arXiv2024

CIC: Circular Image Compression

Learned image compression (LIC) is currently the cutting-edge method. However, the inherent difference between testing and training images of LIC results in performance degradation to some extent. Especially for out-of-sample, out-of-distribution, or out-of-domain testing images, the performance of LIC degrades significantly. Classical LIC is a serial image compression (SIC) approach that utilizes an open-loop architecture with serial encoding and decoding units. Nevertheless, according to the principles of automatic control systems, a closed-loop architecture holds the potential to improve the dynamic and static performance of LIC. Therefore, a circular image compression (CIC) approach with closed-loop encoding and decoding elements is proposed to minimize the gap between testing and training images and upgrade the capability of LIC. The proposed CIC establishes a nonlinear loop equation and proves that steady-state error between reconstructed and original images is close to zero by Taylor series expansion. The proposed CIC method possesses the property of Post-Training and Plug-and-Play which can be built on any existing advanced SIC methods. Experimental results including rate-distortion curves on five public image compression datasets demonstrate that the proposed CIC outperforms eight competing state-of-the-art open-source SIC algorithms in reconstruction capacity. Experimental results further show that the proposed method is suitable for out-of-sample testing images with dark backgrounds, sharp edges, high contrast, grid shapes, or complex patterns.

eess.IV↗

arXiv2024

Balancing User Preferences by Social Networks: A Condition-Guided Social Recommendation Model for Mitigating Popularity Bias

Social recommendation models weave social interactions into their design to provide uniquely personalized recommendation results for users. However, social networks not only amplify the popularity bias in recommendation models, resulting in more frequent recommendation of hot items and fewer long-tail items, but also include a substantial amount of redundant information that is essentially meaningless for the model's performance. Existing social recommendation models often integrate the entire social network directly, with little effort to filter or adjust social information to mitigate popularity bias introduced by the social network. In this paper, we propose a Condition-Guided Social Recommendation Model (named CGSoRec) to mitigate the model's popularity bias by denoising the social network and adjusting the weights of user's social preferences. More specifically, CGSoRec first includes a Condition-Guided Social Denoising Model (CSD) to remove redundant social relations in the social network for capturing users' social preferences with items more precisely. Then, CGSoRec calculates users' social preferences based on denoised social network and adjusts the weights in users' social preferences to make them can counteract the popularity bias present in the recommendation model. At last, CGSoRec includes a Condition-Guided Diffusion Recommendation Model (CGD) to introduce the adjusted social preferences as conditions to control the recommendation results for a debiased direction. Comprehensive experiments on three real-world datasets demonstrate the effectiveness of our proposed method.

cs.SI↗