Zheni Zeng

Yujia Qin, Shengding Hu, Yankai Lin et al. · tsinghua

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. In general, we hope this paper could inspire future research in integrating tools with foundation models.

Chenyang Song, Xu Han, Zheni Zeng et al.

Continual learning necessitates the continual adaptation of models to newly emerging tasks while minimizing the catastrophic forgetting of old ones. This is extremely challenging for large language models (LLMs) with vanilla full-parameter tuning due to high computation costs, memory consumption, and forgetting issue. Inspired by the success of parameter-efficient tuning (PET), we propose Continual Parameter-Efficient Tuning (ConPET), a generalizable paradigm for continual task adaptation of LLMs with task-number-independent training complexity. ConPET includes two versions with different application scenarios. First, Static ConPET can adapt former continual learning methods originally designed for relatively smaller models to LLMs through PET and a dynamic replay strategy, which largely reduces the tuning costs and alleviates the over-fitting and forgetting issue. Furthermore, to maintain scalability, Dynamic ConPET adopts separate PET modules for different tasks and a PET module selector for dynamic optimal selection. In our extensive experiments, the adaptation of Static ConPET helps multiple former methods reduce the scale of tunable parameters by over 3,000 times and surpass the PET-only baseline by at least 5 points on five smaller benchmarks, while Dynamic ConPET gains its advantage on the largest dataset. The codes and datasets are available at https://github.com/Raincleared-Song/ConPET.

Sha Yuan, Hanyu Zhao, Shuai Zhao et al. · bytedance, pku

With the rapid development of deep learning, training Big Models (BMs) for multiple downstream tasks becomes a popular paradigm. Researchers have achieved various outcomes in the construction of BMs and the BM application in many fields. At present, there is a lack of research work that sorts out the overall progress of BMs and guides the follow-up research. In this paper, we cover not only the BM technologies themselves but also the prerequisites for BM training and applications with BMs, dividing the BM review into four parts: Resource, Models, Key Technologies and Application. We introduce 16 specific BM-related topics in those four parts, they are Data, Knowledge, Computing System, Parallel Training System, Language Model, Vision Model, Multi-modal Model, Theory&Interpretability, Commonsense Reasoning, Reliability&Security, Governance, Evaluation, Machine Translation, Text Generation, Dialogue and Protein Research. In each topic, we summarize clearly the current studies and propose some future research directions. At the end of this paper, we conclude the further development of BMs in a more general view.

Yuxuan Chen, Changwei Lv, Yunduo Xiao et al.

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols and topological molecular or continuous reaction data leads to significant information loss and semantic noise in text-based reasoning. We propose SciCore-Mol, a modular framework that bridges this gap through three deeply integrated pluggable cognitive modules: a topology-aware perception module, a latent diffusion-based molecular generation module, and a reaction-aware reasoning module. Each module is coupled to the LLM backbone through learned representation interfaces, enabling richer information exchange than is possible with text-only tool feedback. Our experiments on diverse chemical tasks demonstrate that SciCore-Mol achieves strong comprehensive performance across molecular understanding, generation, reaction prediction, and general chemistry knowledge, with an 8B-parameter open-source system that is competitive with and in several dimensions surpasses proprietary large models. This work provides a systematic blueprint for equipping LLMs with scientific expertise through decoupled, pluggable, and flexibly orchestrated modules, with direct implications for drug design, chemical synthesis, and broader scientific discovery.

Xinze Li, Zhenghao Liu, Haidong Xin et al.

Retrieval-Augmented Generation (RAG) enhances Large Language Models (LLMs) by incorporating external knowledge. Recently, some works have incorporated iterative knowledge accumulation processes into RAG models to progressively accumulate and refine query-related knowledge, thereby constructing more comprehensive knowledge representations. However, these iterative processes often lack a coherent organizational structure, which limits the construction of more comprehensive and cohesive knowledge representations. To address this, we propose PAGER, a page-driven autonomous knowledge representation framework for RAG. PAGER first prompts an LLM to construct a structured cognitive outline for a given question, which consists of multiple slots representing a distinct knowledge aspect. Then, PAGER iteratively retrieves and refines relevant documents to populate each slot, ultimately constructing a coherent page that serves as contextual input for guiding answer generation. Experiments on multiple knowledge-intensive benchmarks and backbone models show that PAGER consistently outperforms all RAG baselines. Further analyses demonstrate that PAGER constructs higher-quality and information-dense knowledge representations, better mitigates knowledge conflicts, and enables LLMs to leverage external knowledge more effectively. All code is available at https://github.com/OpenBMB/PAGER.

Zhenghao Liu, Mingyan Wu, Xinze Li et al.

Retrieval-Augmented Generation (RAG) has emerged as a dominant paradigm for mitigating hallucinations in Large Language Models (LLMs) by incorporating external knowledge. Nevertheless, effectively integrating and interpreting key evidence scattered across noisy documents remains a critical challenge for existing RAG systems. In this paper, we propose GraphAnchor, a novel Graph-Anchored Knowledge Indexing approach that reconceptualizes graph structures from static knowledge representations into active, evolving knowledge indices. GraphAnchor incrementally updates a graph during iterative retrieval to anchor salient entities and relations, yielding a structured index that guides the LLM in evaluating knowledge sufficiency and formulating subsequent subqueries. The final answer is generated by jointly leveraging all retrieved documents and the final evolved graph. Experiments on four multi-hop question answering benchmarks demonstrate the effectiveness of GraphAnchor, and reveal that GraphAnchor modulates the LLM's attention to more effectively associate key information distributed in retrieved documents. All code and data are available at https://github.com/NEUIR/GraphAnchor.

Zheni Zeng, Jiayi Chen, Huimin Chen et al.

Large language models (LLMs) exhibit human-like intelligence, enabling them to simulate human behavior and support various applications that require both humanized communication and extensive knowledge reserves. Efforts are made to personify LLMs with special training data or hand-crafted prompts, while correspondingly faced with challenges such as insufficient data usage or rigid behavior patterns. Consequently, personified LLMs fail to capture personified knowledge or express persistent opinion. To fully unlock the potential of LLM personification, we propose PersLLM, a framework for better data construction and model tuning. For insufficient data usage, we incorporate strategies such as Chain-of-Thought prompting and anti-induction, improving the quality of data construction and capturing the personality experiences, knowledge, and thoughts more comprehensively. For rigid behavior patterns, we design the tuning process and introduce automated DPO to enhance the specificity and dynamism of the models' personalities, which leads to a more natural opinion communication. Both automated metrics and expert human evaluations demonstrate the effectiveness of our approach. Case studies in human-machine interactions and multi-agent systems further suggest potential application scenarios and future directions for LLM personification.

Zheni Zeng, Bangchen Yin, Shipeng Wang et al.

Natural language is expected to be a key medium for various human-machine interactions in the era of large language models. When it comes to the biochemistry field, a series of tasks around molecules (e.g., property prediction, molecule mining, etc.) are of great significance while having a high technical threshold. Bridging the molecule expressions in natural language and chemical language can not only hugely improve the interpretability and reduce the operation difficulty of these tasks, but also fuse the chemical knowledge scattered in complementary materials for a deeper comprehension of molecules. Based on these benefits, we propose the conversational molecular design, a novel task adopting natural language for describing and editing target molecules. To better accomplish this task, we design ChatMol, a knowledgeable and versatile generative pre-trained model, enhanced by injecting experimental property information, molecular spatial knowledge, and the associations between natural and chemical languages into it. Several typical solutions including large language models (e.g., ChatGPT) are evaluated, proving the challenge of conversational molecular design and the effectiveness of our knowledge enhancement method. Case observations and analysis are conducted to provide directions for further exploration of natural-language interaction in molecular discovery.

Jihao Dai, Dingjun Wu, Yuxuan Chen et al.

Retrieval-augmented generation (RAG) typically relies on a flat retrieval paradigm that maps queries directly to static, isolated text segments. This approach struggles with more complex tasks that require the conditional retrieval and dynamic synthesis of information across different levels of granularity (e.g., from broad concepts to specific evidence). To bridge this gap, we introduce NaviRAG, a novel framework that shifts from passive segment retrieval to active knowledge navigation. NaviRAG first structures the knowledge documents into a hierarchical form, preserving semantic relationships from coarse-grained topics to fine-grained details. Leveraging this reorganized knowledge records, a large language model (LLM) agent actively navigates the records, iteratively identifying information gaps and retrieving relevant content from the most appropriate granularity level. Extensive experiments on long-document QA benchmarks show that NaviRAG consistently improves both retrieval recall and end-to-end answer performance over conventional RAG baselines. Ablation studies confirm performance gains stem from our method's capacity for multi-granular evidence localization and dynamic retrieval planning. We further discuss efficiency, applicable scenario, and future directions of our method, hoping to make RAG systems more intelligent and autonomous.

Xinze Li, Sen Mei, Zhenghao Liu et al.

Retrieval-Augmented Generation (RAG) has proven its effectiveness in mitigating hallucinations in Large Language Models (LLMs) by retrieving knowledge from external resources. To adapt LLMs for the RAG systems, current approaches use instruction tuning to optimize LLMs, improving their ability to utilize retrieved knowledge. This supervised fine-tuning (SFT) approach focuses on equipping LLMs to handle diverse RAG tasks using different instructions. However, it trains RAG modules to overfit training signals and overlooks the varying data preferences among agents within the RAG system. In this paper, we propose a Differentiable Data Rewards (DDR) method, which end-to-end trains RAG systems by aligning data preferences between different RAG modules. DDR works by collecting the rewards to optimize each agent in the RAG system with the rollout method, which prompts agents to sample some potential responses as perturbations, evaluates the impact of these perturbations on the whole RAG system, and subsequently optimizes the agent to produce outputs that improve the performance of the RAG system. Our experiments on various knowledge-intensive tasks demonstrate that DDR significantly outperforms the SFT method, particularly for LLMs with smaller-scale parameters that depend more on the retrieved knowledge. Additionally, DDR exhibits a stronger capability to align the data preference between RAG modules. The DDR method makes the generation module more effective in extracting key information from documents and mitigating conflicts between parametric memory and external knowledge. All codes are available at https://github.com/OpenMatch/RAG-DDR.

Haoran Liu, Zheni Zeng, Yukun Yan et al.

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided new paradigms for it. Nevertheless, the intrinsic challenge for LLMs lies in the complex implicit relationship between molecular structure and pharmacological properties and the lack of corresponding labeled data. To bridge this gap, we propose DrugR, an LLM-based method that introduces explicit, step-by-step pharmacological reasoning into the optimization process. Our approach integrates domain-specific continual pretraining, supervised fine-tuning via reverse data engineering, and self-balanced multi-granular reinforcement learning. This framework enables DrugR to effectively improve key ADMET properties while preserving the original molecule's core efficacy. Experimental results demonstrate that DrugR achieves comprehensive enhancement across multiple properties without compromising structural similarity or target binding affinity. Importantly, its explicit reasoning process provides clear, interpretable rationales for each optimization step, yielding actionable design insights and advancing toward automated, knowledge-driven scientific discovery. Our code and model checkpoints are open-sourced to foster future research.

Mingyan Wu, Zhenghao Liu, Yukun Yan et al.

Retrieval-Augmented Generation (RAG) enhances the performance of Large Language Models (LLMs) by incorporating external knowledge. However, LLMs still encounter challenges in effectively utilizing the knowledge from retrieved documents, often being misled by irrelevant or noisy information. To address this issue, we introduce RankCoT, a knowledge refinement method that incorporates reranking signals in generating CoT-based summarization for knowledge refinement based on given query and all retrieval documents. During training, RankCoT prompts the LLM to generate Chain-of-Thought (CoT) candidates based on the query and individual documents. It then fine-tunes the LLM to directly reproduce the best CoT from these candidate outputs based on all retrieved documents, which requires LLM to filter out irrelevant documents during generating CoT-style summarization. Additionally, RankCoT incorporates a self-reflection mechanism that further refines the CoT outputs, resulting in higher-quality training data. Our experiments demonstrate the effectiveness of RankCoT, showing its superior performance over other knowledge refinement models. Further analysis reveals that RankCoT can provide shorter but effective refinement results, enabling the generator to produce more accurate answers. All code and data are available at https://github.com/NEUIR/RankCoT.

Zhipeng Xu, Zhenghao Liu, Yukun Yan et al.

Large Language Models (LLMs) have demonstrated strong performance across a wide range of NLP tasks. However, they often exhibit suboptimal behaviors and inconsistencies when exposed to unfamiliar external information, underscoring their limitations in effectively leveraging such knowledge. Inspired by constructivist learning theory, we propose ThinkNote, a novel framework that enhances the external knowledge utilization of LLMs through a two-stage constructivist cognitive modeling process. Specifically, ThinkNote performs knowledge assimilation to align new information with the model's parametric memory, forming a coherent internal representation. It then applies thought accommodation to adapt internal reasoning, thereby promoting more consistent and reliable outputs. Extensive experimental results demonstrate that ThinkNote achieves a 10% improvement over strong baseline methods on various question-answering benchmarks. Further analysis indicates that ThinkNote effectively integrates and utilizes external knowledge to help LLMs generate accurate responses and improves their self-consistency. All data and codes are available at https://github.com/OpenMatch/ThinkNote.

Shuliang Liu, Xinze Li, Zhenghao Liu et al.

Retrieval-Augmented Generation (RAG) has proven its effectiveness in alleviating hallucinations for Large Language Models (LLMs). However, existing automated evaluation metrics cannot fairly evaluate the outputs generated by RAG models during training and evaluation. LLM-based judgment models provide the potential to produce high-quality judgments, but they are highly sensitive to evaluation prompts, leading to inconsistencies when judging the output of RAG models. This paper introduces the Judge-Consistency (ConsJudge) method, which aims to enhance LLMs to generate more accurate evaluations for RAG models. Specifically, ConsJudge prompts LLMs to generate different judgments based on various combinations of judgment dimensions, utilize the judge-consistency to evaluate these judgments and select the accepted and rejected judgments for DPO training. Our experiments show that ConsJudge can effectively provide more accurate judgments for optimizing RAG models across various RAG models and datasets. Further analysis reveals that judgments generated by ConsJudge have a high agreement with the superior LLM. All codes are available at https://github.com/OpenBMB/ConsJudge.

Maotian Ma, Zheni Zeng, Zhenghao Liu et al.

Large language models (LLMs) have shown strong knowledge reserves and task-solving capabilities, but still face the challenge of severe hallucination, hindering their practical application. Though scientific theories and rules can efficiently direct the behaviors of human manipulators, LLMs still do not utilize these highly-condensed knowledge sufficiently through training or prompting. To address this issue, we propose \textbf{SciDC}, an LLM generation method that integrate subject-specific knowledge with strong constraints. By adopting strong LLMs to automatically convert flexible knowledge into multi-layered, standardized rules, we build an extensible framework to effectively constrain the model generation on domain tasks. Experiments on scientific tasks including industrial formulation design, clinical tumor diagnosis and retrosynthesis planning, consistently demonstrate the effectiveness of our method, achieving a 12\% accuracy improvement on average compared with vanilla generation. We further discuss the potential of LLMs in automatically inductively summarizing highly-condensed knowledge, looking ahead to practical solutions for accelerating the overall scientific research process. All the code of this paper can be obtained (https://github.com/Maotian-Ma/SciDC).

Zheni Zeng, Yuxuan Chen, Shi Yu et al.

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).

Yongjian Li, HaoCheng Chu, Yukun Yan et al.

Retrieval-Augmented Generation (RAG) enables large language models (LLMs) to access broader knowledge sources, yet factual inconsistencies persist due to noise in retrieved documents-even with advanced retrieval methods. We demonstrate that enhancing generative models' capacity to process noisy content is equally critical for robust performance. In this paper, we present KARE-RAG (Knowledge-Aware Refinement and Enhancement for RAG), which improves knowledge utilization through three key innovations: (1) structured knowledge representations that facilitate error detection during training, (2) Dense Direct Preference Optimization (DDPO)-a refined training objective that prioritizes correction of critical errors, and (3) a contrastive data generation pipeline that maintains semantic consistency while rectifying factual inaccuracies. Experiments show our method significantly enhances standard RAG pipelines across model scales, improving both in-domain and out-of-domain task performance without compromising general capabilities. Notably, these gains are achieved with modest training data, suggesting data-efficient optimization is possible through targeted learning strategies. Our findings establish a new direction for RAG improvement: by improving how models learn to process retrieved content, we can enhance performance across diverse inference paradigms. All data and code will be publicly available on Github.

Yuan Yao, Qingxiu Dong, Jian Guan et al.

Realizing general-purpose language intelligence has been a longstanding goal for natural language processing, where standard evaluation benchmarks play a fundamental and guiding role. We argue that for general-purpose language intelligence evaluation, the benchmark itself needs to be comprehensive and systematic. To this end, we propose CUGE, a Chinese Language Understanding and Generation Evaluation benchmark with the following features: (1) Hierarchical benchmark framework, where datasets are principally selected and organized with a language capability-task-dataset hierarchy. (2) Multi-level scoring strategy, where different levels of model performance are provided based on the hierarchical framework. To facilitate CUGE, we provide a public leaderboard that can be customized to support flexible model judging criteria. Evaluation results on representative pre-trained language models indicate ample room for improvement towards general-purpose language intelligence. CUGE is publicly available at cuge.baai.ac.cn.

Mengdi Li, Cornelius Weber, Matthias Kerzel et al.

Reasoning about potential occlusions is essential for robots to efficiently predict whether an object exists in an environment. Though existing work shows that a robot with active perception can achieve various tasks, it is still unclear if occlusion reasoning can be achieved. To answer this question, we introduce the task of robotic object existence prediction: when being asked about an object, a robot needs to move as few steps as possible around a table with randomly placed objects to predict whether the queried object exists. To address this problem, we propose a novel recurrent neural network model that can be jointly trained with supervised and reinforcement learning methods using a curriculum training strategy. Experimental results show that 1) both active perception and occlusion reasoning are necessary to successfully achieve the task; 2) the proposed model demonstrates a good occlusion reasoning ability by achieving a similar prediction accuracy to an exhaustive exploration baseline while requiring only about $10\%$ of the baseline's number of movement steps on average; and 3) the model generalizes to novel object combinations with a moderate loss of accuracy.

Zheni Zeng, Chaojun Xiao, Yuan Yao et al.

Recommender systems aim to provide item recommendations for users, and are usually faced with data sparsity problem (e.g., cold start) in real-world scenarios. Recently pre-trained models have shown their effectiveness in knowledge transfer between domains and tasks, which can potentially alleviate the data sparsity problem in recommender systems. In this survey, we first provide a review of recommender systems with pre-training. In addition, we show the benefits of pre-training to recommender systems through experiments. Finally, we discuss several promising directions for future research for recommender systems with pre-training.

Yanru Huang, Feiyu Zhu, Zheni Zeng et al.

We present a novel self quality evaluation metric SQE for parameters optimization in the challenging yet critical multi-object tracking task. Current evaluation metrics all require annotated ground truth, thus will fail in the test environment and realistic circumstances prohibiting further optimization after training. By contrast, our metric reflects the internal characteristics of trajectory hypotheses and measures tracking performance without ground truth. We demonstrate that trajectories with different qualities exhibit different single or multiple peaks over feature distance distribution, inspiring us to design a simple yet effective method to assess the quality of trajectories using a two-class Gaussian mixture model. Experiments mainly on MOT16 Challenge data sets verify the effectiveness of our method in both correlating with existing metrics and enabling parameters self-optimization to achieve better performance. We believe that our conclusions and method are inspiring for future multi-object tracking in practice.