Haochun Wang

Haochun Wang, Chi Liu, Nuwa Xi et al.

Large Language Models (LLMs), such as the LLaMA model, have demonstrated their effectiveness in various general-domain natural language processing (NLP) tasks. Nevertheless, LLMs have not yet performed optimally in biomedical domain tasks due to the need for medical expertise in the responses. In response to this challenge, we propose HuaTuo, a LLaMA-based model that has been supervised-fine-tuned with generated QA (Question-Answer) instances. The experimental results demonstrate that HuaTuo generates responses that possess more reliable medical knowledge. Our proposed HuaTuo model is accessible at https://github.com/SCIR-HI/Huatuo-Llama-Med-Chinese.

Haochun Wang, Chi Liu, Nuwa Xi et al. · tencent-ai

Prompt-based fine-tuning for pre-trained models has proven effective for many natural language processing tasks under few-shot settings in general domain. However, tuning with prompt in biomedical domain has not been investigated thoroughly. Biomedical words are often rare in general domain, but quite ubiquitous in biomedical contexts, which dramatically deteriorates the performance of pre-trained models on downstream biomedical applications even after fine-tuning, especially in low-resource scenarios. We propose a simple yet effective approach to helping models learn rare biomedical words during tuning with prompt. Experimental results show that our method can achieve up to 6% improvement in biomedical natural language inference task without any extra parameters or training steps using few-shot vanilla prompt settings.

Yuhan Chen, Nuwa Xi, Yanrui Du et al.

Molecule discovery serves as a cornerstone in numerous scientific domains, fueling the development of new materials and innovative drug designs. Recent developments of in-silico molecule discovery have highlighted the promising results of cross-modal techniques, which bridge molecular structures with their descriptive annotations. However, these cross-modal methods frequently encounter the issue of data scarcity, hampering their performance and application. In this paper, we address the low-resource challenge by utilizing artificially-real data generated by Large Language Models (LLMs). We first introduce a retrieval-based prompting strategy to construct high-quality pseudo data, then explore the optimal method to effectively leverage this pseudo data. Experiments show that using pseudo data for domain adaptation outperforms all existing methods, while also requiring a smaller model scale, reduced data size and lower training cost, highlighting its efficiency. Furthermore, our method shows a sustained improvement as the volume of pseudo data increases, revealing the great potential of pseudo data in advancing low-resource cross-modal molecule discovery. Our code and data are available at https://github.com/SCIR-HI/ArtificiallyR2R.

Yanrui Du, Yibo Gao, Sendong Zhao et al.

R1-style LLMs have attracted growing attention for their capacity for self-reflection, yet the internal mechanisms underlying such behavior remain unclear. To bridge this gap, we anchor on the onset of reflection behavior and trace its layer-wise activation trajectory. Using the logit lens to read out token-level semantics, we uncover a structured progression: (i) Latent-control layers, where an approximate linear direction encodes the semantics of thinking budget; (ii) Semantic-pivot layers, where discourse-level cues, including turning-point and summarization cues, surface and dominate the probability mass; and (iii) Behavior-overt layers, where the likelihood of reflection-behavior tokens begins to rise until they become highly likely to be sampled. Moreover, our targeted interventions uncover a causal chain across these stages: prompt-level semantics modulate the projection of activations along latent-control directions, thereby inducing competition between turning-point and summarization cues in semantic-pivot layers, which in turn regulates the sampling likelihood of reflection-behavior tokens in behavior-overt layers. Collectively, our findings suggest a human-like meta-cognitive process-progressing from latent monitoring, to discourse-level regulation, and to finally overt self-reflection. Our analysis code can be found at https://github.com/DYR1/S3-CoT.

Xiao Han, Yuzheng Fan, Sendong Zhao et al.

Clinical decision-making agents can benefit from reusing prior decision experience. However, many memory-augmented methods store experiences as independent records without explicit relational structure, which may introduce noisy retrieval, unreliable reuse, and in some cases even hurt performance compared to direct LLM inference. We propose GSEM (Graph-based Self-Evolving Memory), a clinical memory framework that organizes clinical experiences into a dual-layer memory graph, capturing both the decision structure within each experience and the relational dependencies across experiences, and supporting applicability-aware retrieval and online feedback-driven calibration of node quality and edge weights. Across MedR-Bench and MedAgentsBench with two LLM backbones, GSEM achieves the highest average accuracy among all baselines, reaching 70.90\% and 69.24\% with DeepSeek-V3.2 and Qwen3.5-35B, respectively. Code is available at https://github.com/xhan1022/gsem.

Nuwa Xi, Sendong Zhao, Haochun Wang et al.

Decoding text stimuli from cognitive signals (e.g. fMRI) enhances our understanding of the human language system, paving the way for building versatile Brain-Computer Interface. However, existing studies largely focus on decoding individual word-level fMRI volumes from a restricted vocabulary, which is far too idealized for real-world application. In this paper, we propose fMRI2text, the first openvocabulary task aiming to bridge fMRI time series and human language. Furthermore, to explore the potential of this new task, we present a baseline solution, UniCoRN: the Unified Cognitive Signal ReconstructioN for Brain Decoding. By reconstructing both individual time points and time series, UniCoRN establishes a robust encoder for cognitive signals (fMRI & EEG). Leveraging a pre-trained language model as decoder, UniCoRN proves its efficacy in decoding coherent text from fMRI series across various split settings. Our model achieves a 34.77% BLEU score on fMRI2text, and a 37.04% BLEU when generalized to EEGto-text decoding, thereby surpassing the former baseline. Experimental results indicate the feasibility of decoding consecutive fMRI volumes, and the effectiveness of decoding different cognitive signals using a unified structure.

Haochun Wang, Sendong Zhao, Jingbo Wang et al.

Epidemic forecasting faces a fundamental challenge: human behavior dynamically responds to disease spread, creating feedback loops that induce distribution shifts at policy intervention points. This renders data-driven models unreliable under distribution shift. We propose \textbf{SL-BiLEM} (Structured Learnable Behavior-in-the-Loop Epidemic Model), leveraging physical constraints as regularization for robust extrapolation. The framework decomposes effective transmission as $β_{\text{eff}}(t,g) = β_0(g) \times m_{\text{policy}}(t) \times m_{\text{media}}(t) \times m_{\text{comp}}(t,g)$, where monotonicity, smoothness, and bounded-jump constraints on the learned compliance function maintain predictive validity under novel policy regimes. Beyond forecasting, SL-BiLEM enables counterfactual analysis for intervention decision support. We validate forecasting on three real-world datasets (cruise ship, school influenza, and school-district COVID-19 surveillance) and evaluate counterfactual recovery on synthetic benchmarks with known ground truth. SL-BiLEM demonstrates: (1) 76\% improvement over neural-mechanistic baselines, with only 53\% OOD degradation versus 1142\% for neural baselines under policy-induced shift; (2) 100\% bootstrap CI coverage across 27 synthetic counterfactual experiments; and (3) Treatment Effect Accuracy exceeding 0.85. These results establish SL-BiLEM as an interpretable tool for public health decision-makers seeking accurate prediction and principled intervention planning.

Haochun Wang, Sendong Zhao, Zewen Qiang et al.

Large Language Models (LLMs) have demonstrated remarkable success in diverse natural language processing (NLP) tasks in general domains. However, LLMs sometimes generate responses with the hallucination about medical facts due to limited domain knowledge. Such shortcomings pose potential risks in the utilization of LLMs within medical contexts. To address this challenge, we propose knowledge-tuning, which leverages structured medical knowledge bases for the LLMs to grasp domain knowledge efficiently and facilitate reliable response generation. We also release cMedKnowQA, a Chinese medical knowledge question-answering dataset constructed from medical knowledge bases to assess the medical knowledge proficiency of LLMs. Experimental results show that the LLMs which are knowledge-tuned with cMedKnowQA, can exhibit higher levels of accuracy in response generation compared with vanilla instruction-tuning and offer a new reliable way for the domain adaptation of LLMs.

Haochun Wang, Sendong Zhao, Chi Liu et al.

Prompt-based classification adapts tasks to a cloze question format utilizing the [MASK] token and the filled tokens are then mapped to labels through pre-defined verbalizers. Recent studies have explored the use of verbalizer embeddings to reduce labor in this process. However, all existing studies require a tuning process for either the pre-trained models or additional trainable embeddings. Meanwhile, the distance between high-dimensional verbalizer embeddings should not be measured by Euclidean distance due to the potential for non-linear manifolds in the representation space. In this study, we propose a tuning-free manifold-based space re-embedding method called Locally Linear Embedding with Intra-class Neighborhood Constraint (LLE-INC) for verbalizer embeddings, which preserves local properties within the same class as guidance for classification. Experimental results indicate that even without tuning any parameters, our LLE-INC is on par with automated verbalizers with parameter tuning. And with the parameter updating, our approach further enhances prompt-based tuning by up to 3.2%. Furthermore, experiments with the LLaMA-7B&13B indicate that LLE-INC is an efficient tuning-free classification approach for the hyper-scale language models.

Chi Liu, Haochun Wang, Nuwa Xi et al.

As a novel approach to tuning pre-trained models, prompt tuning involves freezing the parameters in downstream tasks while inserting trainable embeddings into inputs in the first layer. However, previous methods have mainly focused on the initialization of prompt embeddings. The strategy of training and utilizing prompt embeddings in a reasonable way has become a limiting factor in the effectiveness of prompt tuning. To address this issue, we introduce the Global Prompt Cell (GPC), a portable control module for prompt tuning that selectively preserves prompt information across all encoder layers. Our experimental results demonstrate a 5.8% improvement on SuperGLUE datasets compared to vanilla prompt tuning.

Yanrui Du, Sendong Zhao, Haochun Wang et al.

Explaining black-box model behavior with natural language has achieved impressive results in various NLP tasks. Recent research has explored the utilization of subsequences from the input text as a rationale, providing users with evidence to support the model decision. Although existing frameworks excel in generating high-quality rationales while achieving high task performance, they neglect to account for the unreliable link between the generated rationale and model decision. In simpler terms, a model may make correct decisions while attributing wrong rationales, or make poor decisions while attributing correct rationales. To mitigate this issue, we propose a unified two-stage framework known as Self-Attribution and Decision-Making (SADM). Through extensive experiments on five reasoning datasets from the ERASER benchmark, we demonstrate that our framework not only establishes a more reliable link between the generated rationale and model decision but also achieves competitive results in task performance and the quality of rationale. Furthermore, we explore the potential of our framework in semi-supervised scenarios.

Haochun Wang, Chaofen Yang, Jiatong Liu et al.

In-context learning (ICL) is highly sensitive to which demonstrations appear in the prompt, but selecting them is expensive because the space of possible demonstration contexts and combinations is enormous. We argue that demonstration selection is \emph{easier to judge than to find}: predicting whether a specific query--context pair $(q,D)$ will succeed is cheaper and more general than searching for an optimal $D^\star$. Based on this insight, we propose DiSP, a sample-and-judge framework that stratifies queries by difficulty. DiSP runs random demonstration trials to estimate success rate of each training query, trains a lightweight router to predict difficulty from the query, and trains level-specific judges for sampled demonstrations. At inference, DiSP performs stop-on-acceptance judging under an explicit budget, emitting diagnostic risk tags when no suitable context is found. Across five classification datasets with Llama~3--8B and Qwen~2.5--7B, DiSP achieves the best average accuracy, improving over strong learned selection baselines by up to 3.4\%, while achieving up to $23\times$ end-to-end wall-clock speedup.

Zewen Qiang, Sendong Zhao, Haochun Wang et al.

Large language models (LLMs) have demonstrated strong performance on a variety of natural language processing (NLP) tasks. However, they often struggle with long-text sequences due to the ``lost in the middle'' phenomenon. This issue has been shown to arise from a U-shaped attention bias, where attention is disproportionately focused on the beginning and end of a text, leaving the middle section underrepresented. While previous studies have attributed this bias to position encoding, our research first identifies an additional factor: initial saliency. It means that in the attention computation for each token, tokens with higher attention weights relative to the initial token tend to receive more attention in the prediction of the next token. We further find that utilizing this property by scaling attention weight between the initial token and others improves the model's ability to process long contexts, achieving a maximum improvement of 3.6\% in MDQA dataset. Moreover, combining this approach with existing methods to reduce position encoding bias further enhances performance, achieving a maximum improvement of 3.4\% in KV-Retrieval tasks.

Jianbo Li, Yi Jiang, Sendong Zhao et al.

Retrieval-Augmented Generation (RAG) helps LLMs stay accurate, but feeding long documents into a prompt makes the model slow and expensive. This has motivated context compression, ranging from token pruning and summarization to embedding-based compression. While researchers have tried ''compressing'' these documents into smaller summaries or mathematical embeddings, there is a catch: the more you compress the data, the more the LLM struggles to understand it. To address this challenge, we propose ArcAligner (Adaptive recursive context *Aligner*), a lightweight module integrated into the language model layers to help the model better utilize highly compressed context representations for downstream generation. It uses an adaptive ''gating'' system that only adds extra processing power when the information is complex, keeping the system fast. Across knowledge-intensive QA benchmarks, ArcAligner consistently beats compression baselines at comparable compression rates, especially on multi-hop and long-tail settings. The source code is publicly available.

Yi Jiang, Sendong Zhao, Jianbo Li et al.

Retrieval-Augmented Generation (RAG) improves generation quality by incorporating evidence retrieved from large external corpora. However, most existing methods rely on statically selecting top-k passages based on individual relevance, which fails to exploit combinatorial gains among passages and often introduces substantial redundancy. To address this limitation, we propose OptiSet, a set-centric framework that unifies set selection and set-level ranking for RAG. OptiSet adopts an "Expand-then-Refine" paradigm: it first expands a query into multiple perspectives to enable a diverse candidate pool and then refines the candidate pool via re-selection to form a compact evidence set. We then devise a self-synthesis strategy without strong LLM supervision to derive preference labels from the set conditional utility changes of the generator, thereby identifying complementary and redundant evidence. Finally, we introduce a set-list wise training strategy that jointly optimizes set selection and set-level ranking, enabling the model to favor compact, high-gain evidence sets. Extensive experiments demonstrate that OptiSet improves performance on complex combinatorial problems and makes generation more efficient. The source code is publicly available.

Haochun Wang, Ruichen Xu, Georgios Kementzidis et al.

Test-time adaptation (TTA) has recently emerged as a promising approach for improving time series forecasting (TSF) under distribution shift. Existing TSF-TTA methods differ in how they utilize revealed targets, yet the resulting adaptation protocols remain heterogeneous and lack a clearly unified formulation. To address this issue, we revisit TSF-TTA from the perspective of protocol cleanliness and propose an adaptation protocol based solely on matured ground truth, yielding a more principled setting for adaptation. Under this protocol, we further diagnose existing adapters in the frequency domain and find that their prediction corrections often exhibit limited and weakly structured spectral modifications. Motivated by this diagnosis, we propose Frequency-Aware Calibration (FAC), a lightweight calibration method that directly parameterizes prediction corrections in the frequency domain. Across diverse datasets, forecasting horizons, and source forecasters, FAC achieves competitive and consistent performance while requiring substantially fewer trainable parameters than the compared TSF-TTA adapters.

Jingbo Wang, Sendong Zhao, Haochun Wang et al.

The emergence of multi-agent systems powered by large language models (LLMs) has unlocked new frontiers in complex task-solving, enabling diverse agents to integrate unique expertise, collaborate flexibly, and address challenges unattainable for individual models. However, the full potential of such systems is hindered by rigid agent scheduling and inefficient coordination strategies that fail to adapt to evolving task requirements. In this paper, we propose STRMAC, a state-aware routing framework designed for efficient collaboration in multi-agent systems. Our method separately encodes interaction history and agent knowledge to power the router, which adaptively selects the most suitable single agent at each step for efficient and effective collaboration. Furthermore, we introduce a self-evolving data generation approach that accelerates the collection of high-quality execution paths for efficient system training. Experiments on challenging collaborative reasoning benchmarks demonstrate that our method achieves state-of-the-art performance, achieving up to 23.8% improvement over baselines and reducing data collection overhead by up to 90.1% compared to exhaustive search.

Jingbo Wang, Sendong Zhao, Jiatong Liu et al.

While multi-agent systems (MAS) have demonstrated superior performance over single-agent approaches in complex reasoning tasks, they often suffer from significant computational inefficiencies. Existing frameworks typically deploy large language models (LLMs) uniformly across all agent roles, failing to account for the varying cognitive demands of different reasoning stages. We address this inefficiency by proposing OI-MAS framework, a novel multi-agent framework that implements an adaptive model-selection policy across a heterogeneous pool of multi-scale LLMs. Specifically, OI-MAS introduces a state-dependent routing mechanism that dynamically selects agent roles and model scales throughout the reasoning process. In addition, we introduce a confidence-aware mechanism that selects appropriate model scales conditioned on task complexity, thus reducing unnecessary reliance on large-scale models. Experimental results show that OI-MAS consistently outperforms baseline multi-agent systems, improving accuracy by up to 12.88\% while reducing cost by up to 79.78\%.

Haoqiang Guo, Sendong Zhao, Haochun Wang et al.

Deep learning is now widely used in drug discovery, providing significant acceleration and cost reduction. As the most fundamental building block, molecular representation is essential for predicting molecular properties to enable various downstream applications. Most existing methods attempt to incorporate more information to learn better representations. However, not all features are equally important for a specific task. Ignoring this would potentially compromise the training efficiency and predictive accuracy. To address this issue, we propose a novel approach, which treats language models as an agent and molecular pretraining models as a knowledge base. The agent accentuates task-relevant features in the molecular representation by understanding the natural language description of the task, just as a tailor customizes clothes for clients. Thus, we call this approach MolTailor. Evaluations demonstrate MolTailor's superior performance over baselines, validating the efficacy of enhancing relevance for molecular representation learning. This illustrates the potential of language model guided optimization to better exploit and unleash the capabilities of existing powerful molecular representation methods. Our code is available at https://github.com/SCIR-HI/MolTailor.

Haochun Wang, Sendong Zhao, Zewen Qiang et al.

In the field of NLP, Large Language Models (LLMs) have markedly enhanced performance across a variety of tasks. However, the comprehensive evaluation of LLMs remains an inevitable challenge for the community. Recently, the adoption of Multiple Choice Question Answering (MCQA) as a benchmark for assessing LLMs has gained considerable traction. However, concerns regarding the robustness of this evaluative method persist. Building upon previous discussions on the issue of \textit{variability}, we reveal an additional dimension of concern: LLMs may perform MCQA by selecting the least incorrect option rather than distinctly correct. This observation suggests that LLMs might regard multiple options as correct, which could undermine the reliability of MCQA as a metric for evaluating LLMs. To address this challenge, we introduce an enhanced dataset augmentation method for MCQA, termed MCQA+, to provide a more accurate reflection of the model performance, thereby highlighting the necessity for more sophisticated evaluation mechanisms in the assessment of LLM capabilities.

Haochun Wang, Sendong Zhao, Zewen Qiang et al.

Automatic diagnosis is a significant application of AI in healthcare, where diagnoses are generated based on the symptom description of patients. Previous works have approached this task directly by modeling the relationship between the normalized symptoms and all possible diseases. However, in the clinical diagnostic process, patients are initially consulted by a general practitioner and, if necessary, referred to specialists in specific domains for a more comprehensive evaluation. The final diagnosis often emerges from a collaborative consultation among medical specialist groups. Recently, large language models have shown impressive capabilities in natural language understanding. In this study, we adopt tuning-free LLM-based agents as medical practitioners and propose the Agent-derived Multi-Specialist Consultation (AMSC) framework to model the diagnosis process in the real world by adaptively fusing probability distributions of agents over potential diseases. Experimental results demonstrate the superiority of our approach compared with baselines. Notably, our approach requires significantly less parameter updating and training time, enhancing efficiency and practical utility. Furthermore, we delve into a novel perspective on the role of implicit symptoms within the context of automatic diagnosis.

Boyu Xiao, Xiuqi Tian, Xuwen Song et al.

Despite strong medical benchmark accuracy, LLMs can exhibit severe multi-turn sycophancy in clinical dialogue, abandoning initial correct diagnosis under escalating pressure. We propose \textbf{\textsc{Med-Stress}}, a targeted stress test framework that evaluates belief stability under escalating pressure. Across nine frontier large language models (LLMs), we find a clear dissociation between medical knowledge and robustness: high initial diagnostic capability does not imply high belief stability, yielding large knowledge-robustness gaps for several LLMs. To mitigate this failure mode, we propose a lightweight inference-time defense, \textbf{\texttt{RBED}} (\textbf{R}ole-\textbf{B}ased \textbf{E}pistemic \textbf{D}efense), and \textbf{\texttt{R-FT}} (\textbf{R}esilience-oriented \textbf{F}ine-\textbf{T}uning), a training-time approach that internalizes evidence-based resistance to pressure. Experiments show that \textbf{\texttt{R-FT}} nearly eliminates belief change and substantially improves robustness.

Yi Jiang, Sendong Zhao, Jianbo Li et al.

The Retrieval-Augmented Generation (RAG) framework introduces a retrieval module to dynamically inject retrieved information into the input context of large language models (LLMs), and has demonstrated significant success in various NLP tasks. However, the current study points out that there is a preference gap between retrievers and LLMs in the RAG framework, which limit the further improvement of system performance. Some highly relevant passages may interfere with LLM reasoning because they contain complex or contradictory information; while some indirectly related or even inaccurate content may help LLM generate more accurate answers by providing suggestive information or logical clues. To solve this, we propose GainRAG, a novel approach that aligns the retriever's and LLM's preferences by defining a new metric, "gain", which measure how well an input passage contributes to correct outputs. Specifically, we propose a method to estimate these gain signals and train a middleware that aligns the preferences of the retriever and the LLM using only limited data. In addition, we introduce a pseudo-passage strategy to mitigate degradation. The experimental results on 6 datasets verify the effectiveness of GainRAG.

Nuwa Xi, Yuhan Chen, Sendong Zhao et al.

Chain-of-Thought (CoT) serves as a critical emerging ability in LLMs, especially when it comes to logical reasoning. Attempts have been made to induce such ability in small models as well by distilling from the data with CoT generated by Large Language Models (LLMs). However, existing methods often simply generate and incorporate more data from LLMs and fail to note the importance of efficiently utilizing existing CoT data. We here propose a new training paradigm AS-ES (Abstractive Segments - Extractive Segments) learning, which exploits the inherent information in CoT for iterative generation. Experiments show that our methods surpass the direct seq2seq training on CoT-extensive tasks like MWP and PET summarization, without data augmentation or altering the model itself. Furthermore, we explore the reason behind the inefficiency of small models in learning CoT and provide an explanation of why AS-ES learning works, giving insights into the underlying mechanism of CoT.

Mengzhou Sun, Sendong Zhao, Jianyu Chen et al.

Evidence-based medicine (EBM) holds a crucial role in clinical application. Given suitable medical articles, doctors effectively reduce the incidence of misdiagnoses. Researchers find it efficient to use large language models (LLMs) techniques like RAG for EBM tasks. However, the EBM maintains stringent requirements for evidence, and RAG applications in EBM struggle to efficiently distinguish high-quality evidence. Therefore, inspired by the meta-analysis used in EBM, we provide a new method to re-rank and filter the medical evidence. This method presents multiple principles to filter the best evidence for LLMs to diagnose. We employ a combination of several EBM methods to emulate the meta-analysis, which includes reliability analysis, heterogeneity analysis, and extrapolation analysis. These processes allow the users to retrieve the best medical evidence for the LLMs. Ultimately, we evaluate these high-quality articles and show an accuracy improvement of up to 11.4% in our experiments and results. Our method successfully enables RAG to extract higher-quality and more reliable evidence from the PubMed dataset. This work can reduce the infusion of incorrect knowledge into responses and help users receive more effective replies.

Mengzhou Sun, Sendong Zhao, Jianyu Chen et al.

Retrieval-augmented Generation (RAG) has demonstrated potential in enhancing medical question-answering systems through the integration of large language models (LLMs) with external medical literature. LLMs can retrieve relevant medical articles to generate more professional responses efficiently. However, current RAG applications still face problems. They generate incorrect information, such as hallucinations, and they fail to use external knowledge correctly. To solve these issues, we propose a new method named M-Eval. This method is inspired by the heterogeneity analysis approach used in Evidence-Based Medicine (EBM). Our approach can check for factual errors in RAG responses using evidence from multiple sources. First, we extract additional medical literature from external knowledge bases. Then, we retrieve the evidence documents generated by the RAG system. We use heterogeneity analysis to check whether the evidence supports different viewpoints in the response. In addition to verifying the accuracy of the response, we also assess the reliability of the evidence provided by the RAG system. Our method shows an improvement of up to 23.31% accuracy across various LLMs. This work can help detect errors in current RAG-based medical systems. It also makes the applications of LLMs more reliable and reduces diagnostic errors.

Yi Jiang, Sendong Zhao, Jianbo Li et al.

Retrieval-Augmented Generation (RAG) enhances Large Language Models (LLMs), especially for knowledge-intensive tasks. Despite its advantages, current RAG methods often struggle to fully exploit knowledge during generation. In particular, the synergy between the model's internal parametric knowledge and external retrieved knowledge remains limited. Retrieved contents may sometimes mislead generation, while certain generated content can guide the model toward more accurate outputs. In this work, we propose Collaborative Chain-of-Agents, a framework designed to enhance explicitly synergy over both parametric and retrieved knowledge. Specifically, we first introduce CoCoA-zero, a multi-agent RAG framework that first performs conditional knowledge induction and then reasons answers. Building on this, we develop CoCoA, a long-chain training strategy that synthesizes extended multi-agent reasoning trajectories from CoCoA-zero to fine-tune the LLM. This strategy enhances the model's capability to explicitly integrate and jointly leverage parametric and retrieved knowledge. Experimental results demonstrate the superiority of CoCoA in open-domain QA and multi-hop QA.

Haochun Wang, Sendong Zhao, Jingbo Wang et al.

Multi-agent collaboration has emerged as a pivotal paradigm for addressing complex, distributed tasks in large language model (LLM)-driven applications. While prior research has focused on high-level architectural frameworks, the granular mechanisms governing agents, critical to performance and scalability, remain underexplored. This study systematically investigates four dimensions of collaboration strategies: (1) agent governance, (2) participation control, (3) interaction dynamics, and (4) dialogue history management. Through rigorous experimentation under two context-dependent scenarios: Distributed Evidence Integration (DEI) and Structured Evidence Synthesis (SES), we quantify the impact of these strategies on both task accuracy and computational efficiency. Our findings reveal that centralized governance, instructor-led participation, ordered interaction patterns, and instructor-curated context summarization collectively optimize the trade-off between decision quality and resource utilization with the support of the proposed Token-Accuracy Ratio (TAR). This work establishes a foundation for designing adaptive, scalable multi-agent systems, shifting the focus from structural novelty to strategic interaction mechanics.

Muzhen Cai, Sendong Zhao, Haochun Wang et al.

Artificial Intelligence predicts drug properties by encoding drug molecules, aiding in the rapid screening of candidates. Different molecular representations, such as SMILES and molecule graphs, contain complementary information for molecular encoding. Thus exploiting complementary information from different molecular representations is one of the research priorities in molecular encoding. Most existing methods for combining molecular multi-modalities only use molecular-level information, making it hard to encode intra-molecular alignment information between different modalities. To address this issue, we propose a multi-granularity fusion method that is MolFusion. The proposed MolFusion consists of two key components: (1) MolSim, a molecular-level encoding component that achieves molecular-level alignment between different molecular representations. and (2) AtomAlign, an atomic-level encoding component that achieves atomic-level alignment between different molecular representations. Experimental results show that MolFusion effectively utilizes complementary multimodal information, leading to significant improvements in performance across various classification and regression tasks.