UniHR: Hierarchical Representation Learning for Unified Knowledge Graph Link Prediction

Beyond-triple fact representations including hyper-relational facts with auxiliary key-value pairs, temporal facts with additional timestamps, and nested facts implying relationships between facts, are gaining significant attention. However, existing link prediction models are usually designed for one specific type of facts, making it difficult to generalize to other fact representations. To overcome this limitation, we propose a Unified Hierarchical Representation learning framework (UniHR) for unified knowledge graph link prediction. It consists of a unified Hierarchical Data Representation (HiDR) module and a unified Hierarchical Structure Learning (HiSL) module as graph encoder. The HiDR module unifies hyper-relational KGs, temporal KGs, and nested factual KGs into triple-based representations. Then HiSL incorporates intra-fact and inter-fact message passing, focusing on enhancing the semantic information within individual facts and enriching the structural information between facts. Experimental results across 7 datasets from 3 types of KGs demonstrate that our UniHR outperforms baselines designed for one specific kind of KG, indicating strong generalization capability of HiDR form and the effectiveness of HiSL module. Code and data are available at https://github.com/Lza12a/UniHR.

Exploring Model Kinship for Merging Large Language Models

Model merging has become one of the key technologies for enhancing the capabilities and efficiency of Large Language Models (LLMs). However, our understanding of the expected performance gains and principles when merging any two models remains limited. In this work, we introduce model kinship, the degree of similarity or relatedness between LLMs, analogous to biological evolution. With comprehensive empirical analysis, we find that there is a certain relationship between model kinship and the performance gains after model merging, which can help guide our selection of candidate models. Inspired by this, we propose a new model merging strategy: Top-k Greedy Merging with Model Kinship, which can yield better performance on benchmark datasets. Specifically, we discover that using model kinship as a criterion can assist us in continuously performing model merging, alleviating the degradation (local optima) in model evolution, whereas model kinship can serve as a guide to escape these traps. Code is available at https://github.com/zjunlp/ModelKinship.

MLLM can see? Dynamic Correction Decoding for Hallucination Mitigation

Multimodal Large Language Models (MLLMs) frequently exhibit hallucination phenomena, but the underlying reasons remain poorly understood. In this paper, we present an empirical analysis and find that, although MLLMs incorrectly generate the objects in the final output, they are actually able to recognize visual objects in the preceding layers. We speculate that this may be due to the strong knowledge priors of the language model suppressing the visual information, leading to hallucinations. Motivated by this, we propose a novel dynamic correction decoding method for MLLMs (DeCo), which adaptively selects the appropriate preceding layers and proportionally integrates knowledge into the final layer to adjust the output logits. Note that DeCo is model agnostic and can be seamlessly incorporated with various classic decoding strategies and applied to different MLLMs. We evaluate DeCo on widely-used benchmarks, demonstrating that it can reduce hallucination rates by a large margin compared to baselines, highlighting its potential to mitigate hallucinations. Code is available at https://github.com/zjunlp/DeCo.

MKGL: Mastery of a Three-Word Language

Large language models (LLMs) have significantly advanced performance across a spectrum of natural language processing (NLP) tasks. Yet, their application to knowledge graphs (KGs), which describe facts in the form of triplets and allow minimal hallucinations, remains an underexplored frontier. In this paper, we investigate the integration of LLMs with KGs by introducing a specialized KG Language (KGL), where a sentence precisely consists of an entity noun, a relation verb, and ends with another entity noun. Despite KGL's unfamiliar vocabulary to the LLM, we facilitate its learning through a tailored dictionary and illustrative sentences, and enhance context understanding via real-time KG context retrieval and KGL token embedding augmentation. Our results reveal that LLMs can achieve fluency in KGL, drastically reducing errors compared to conventional KG embedding methods on KG completion. Furthermore, our enhanced LLM shows exceptional competence in generating accurate three-word sentences from an initial entity and interpreting new unseen terms out of KGs.

InstructBioMol: Advancing Biomolecule Understanding and Design Following Human Instructions

Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology, and enzyme engineering. Recent breakthroughs in Artificial Intelligence (AI) have revolutionized biomolecular research, achieving remarkable accuracy in biomolecular prediction and design. However, a critical gap remains between AI's computational power and researchers' intuition, using natural language to align molecular complexity with human intentions. Large Language Models (LLMs) have shown potential to interpret human intentions, yet their application to biomolecular research remains nascent due to challenges including specialized knowledge requirements, multimodal data integration, and semantic alignment between natural language and biomolecules. To address these limitations, we present InstructBioMol, a novel LLM designed to bridge natural language and biomolecules through a comprehensive any-to-any alignment of natural language, molecules, and proteins. This model can integrate multimodal biomolecules as input, and enable researchers to articulate design goals in natural language, providing biomolecular outputs that meet precise biological needs. Experimental results demonstrate InstructBioMol can understand and design biomolecules following human instructions. Notably, it can generate drug molecules with a 10% improvement in binding affinity and design enzymes that achieve an ESP Score of 70.4, making it the only method to surpass the enzyme-substrate interaction threshold of 60.0 recommended by the ESP developer. This highlights its potential to transform real-world biomolecular research.

Benchmarking Agentic Workflow Generation

Large Language Models (LLMs), with their exceptional ability to handle a wide range of tasks, have driven significant advancements in tackling reasoning and planning tasks, wherein decomposing complex problems into executable workflows is a crucial step in this process. Existing workflow evaluation frameworks either focus solely on holistic performance or suffer from limitations such as restricted scenario coverage, simplistic workflow structures, and lax evaluation standards. To this end, we introduce WorFBench, a unified workflow generation benchmark with multi-faceted scenarios and intricate graph workflow structures. Additionally, we present WorFEval, a systemic evaluation protocol utilizing subsequence and subgraph matching algorithms to accurately quantify the LLM agent's workflow generation capabilities. Through comprehensive evaluations across different types of LLMs, we discover distinct gaps between the sequence planning capabilities and graph planning capabilities of LLM agents, with even GPT-4 exhibiting a gap of around 15%. We also train two open-source models and evaluate their generalization abilities on held-out tasks. Furthermore, we observe that the generated workflows can enhance downstream tasks, enabling them to achieve superior performance with less time during inference. Code and dataset will be available at https://github.com/zjunlp/WorFBench.

SciSafeEval: A Comprehensive Benchmark for Safety Alignment of Large Language Models in Scientific Tasks

Large language models (LLMs) have had a transformative impact on a variety of scientific tasks across disciplines such as biology, chemistry, medicine, and physics. However, ensuring the safety alignment of these models in scientific research remains an underexplored area, with existing benchmarks primarily focus on textual content and overlooking key scientific representations such as molecular, protein, and genomic languages. Moreover, the safety mechanisms of LLMs in scientific tasks are insufficiently studied. To address these limitations, we introduce SciSafeEval, a comprehensive benchmark designed to evaluate the safety alignment of LLMs across a range of scientific tasks. SciSafeEval spans multiple scientific languages - including textual, molecular, protein, and genomic - and covers a wide range of scientific domains. We evaluate LLMs in zero-shot, few-shot and chain-of-thought settings, and introduce a 'jailbreak' enhancement feature that challenges LLMs equipped with safety guardrails, rigorously testing their defenses against malicious intention. Our benchmark surpasses existing safety datasets in both scale and scope, providing a robust platform for assessing the safety and performance of LLMs in scientific contexts. This work aims to facilitate the responsible development and deployment of LLMs, promoting alignment with safety and ethical standards in scientific research.

Benchmarking Chinese Knowledge Rectification in Large Language Models

While Large Language Models (LLMs) exhibit remarkable generative capabilities, they are not without flaws, particularly in the form of hallucinations. This issue is even more pronounced when LLMs are applied to specific languages and domains. For example, LLMs may generate nonsense information when handling Chinese ancient poetry, proverbs, or idioms, owing to the lack of specific knowledge. To this end, this paper introduces a benchmark for rectifying Chinese knowledge in LLMs via knowledge editing. Specifically, we introduce a new Chinese dataset, CKnowEdit, by collecting seven type of knowledge from various sources, including classical texts, idioms, and content from Baidu Tieba Ruozhiba, thereby accounting for the unique polyphony, antithesis, and logical constructs inherent in the Chinese language. Through the analysis of this dataset, we uncover the challenges faced by current LLMs in mastering Chinese. Furthermore, our evaluation of state-of-the-art knowledge editing techniques on this dataset unveil the substantial scope for advancement in the rectification of Chinese knowledge. Code and dataset are available at https://github.com/zjunlp/EasyEdit.

OneEdit: A Neural-Symbolic Collaboratively Knowledge Editing System

Knowledge representation has been a central aim of AI since its inception. Symbolic Knowledge Graphs (KGs) and neural Large Language Models (LLMs) can both represent knowledge. KGs provide highly accurate and explicit knowledge representation, but face scalability issue; while LLMs offer expansive coverage of knowledge, but incur significant training costs and struggle with precise and reliable knowledge manipulation. To this end, we introduce OneEdit, a neural-symbolic prototype system for collaborative knowledge editing using natural language, which facilitates easy-to-use knowledge management with KG and LLM. OneEdit consists of three modules: 1) The Interpreter serves for user interaction with natural language; 2) The Controller manages editing requests from various users, leveraging the KG with rollbacks to handle knowledge conflicts and prevent toxic knowledge attacks; 3) The Editor utilizes the knowledge from the Controller to edit KG and LLM. We conduct experiments on two new datasets with KGs which demonstrate that OneEdit can achieve superior performance.

OneGen: Efficient One-Pass Unified Generation and Retrieval for LLMs

Despite the recent advancements in Large Language Models (LLMs), which have significantly enhanced the generative capabilities for various NLP tasks, LLMs still face limitations in directly handling retrieval tasks. However, many practical applications demand the seamless integration of both retrieval and generation. This paper introduces a novel and efficient One-pass Generation and retrieval framework (OneGen), designed to improve LLMs' performance on tasks that require both generation and retrieval. The proposed framework bridges the traditionally separate training approaches for generation and retrieval by incorporating retrieval tokens generated autoregressively. This enables a single LLM to handle both tasks simultaneously in a unified forward pass. We conduct experiments on two distinct types of composite tasks, RAG and Entity Linking, to validate the pluggability, effectiveness, and efficiency of OneGen in training and inference. Furthermore, our results show that integrating generation and retrieval within the same context preserves the generative capabilities of LLMs while improving retrieval performance. To the best of our knowledge, OneGen is the first to enable LLMs to conduct vector retrieval during the generation.