Multimodal large language models (MLLMs) are gaining increasing attention. Due to the heterogeneity of their input features, they face significant challenges in terms of jailbreak defenses. Current defense methods rely on costly fine-tuning or inefficient post-hoc interventions, limiting their ability to address novel attacks and involving performance trade-offs. To address the above issues, we explore the endogenous safety capabilities within MLLMs and quantify their intrinsic ability to discern harmfulness at both encoding and decoding stages. We observe that 1) MLLMs can distinguish the harmful and harmless inputs during decoding process, 2) Image-based attacks are more stealthy. Based on these insights, we introduce SafeSteer, a decoding-level defense mechanism for MLLMs. Specifically, it employs a lightweight discriminator, based on the MLLM’s own discriminative ability, to iteratively steer the decoding process toward safety. A safety alignment vector is also integrated to handle complex multimodal threats. Experiments on multiple MLLMs demonstrate that our proposed method can improve safety performance by up to 33.40% without fine-tuning.

With the widespread adoption of large language models (LLMs), understanding their personality representation mechanisms has become critical. As a novel paradigm in Personality Editing, most existing methods employ neuron-editing to locate and modify LLM neurons, requiring changes to numerous neurons and leading to significant performance degradation. This raises a fundamental question: Are all modified neurons directly related to personality representation? In this work, we investigate and quantify this specificity through assessments of general capability impact and representation-level patterns. We find that: 1) Current methods can change personalities but reduce overall performance. 2) Neurons are multifunctional, connecting personality traits and general knowledge. 3) Opposing personality traits demonstrate distinctly mutually exclusive representation patterns. Motivated by these findings, we propose DPN-LE (Dual Personality Neuron Localization and Editing), which identifies personality-specific neurons by contrasting MLP activations between high-trait and low-trait samples. DPN-LE constructs layer-wise steering vectors and applies dual-criterion filtering based on Cohen’s d effect size and activation magnitude to isolate mutually exclusive neuron subsets. Sparse linear intervention on these neurons enables precise personality control at inference time. Using only 1,000 contrastive sample pairs per trait, DPN-LE intervenes on ∼0.5% of neurons while achieving competitive personality control and substantially better capability preservation across reasoning tasks. Experiments on LLaMA-3-8B-Instruct and Qwen2.5-7B-Instruct demonstrate the effectiveness and generalizability of our approach.

The “reversal curse” refers to the phenomenon where large language models (LLMs) exhibit predominantly unidirectional behavior when processing logically bidirectional relationships. Prior work attributed this to autoregressive training—predicting the next token inherently favors left-to-right information flow over genuine bidirectional knowledge associations. However, we observe that Diffusion LLMs (DLLMs), despite being trained bidirectionally, also suffer from the reversal curse. To investigate the root causes, we conduct systematic experiments on DLLMs and identify three key reasons: 1) entity fragmentation during training, 2) data asymmetry, and 3) missing entity relations. Motivated by the analysis of these reasons, we propose Diffusion Entity-Relation Modeling (DiffER), which addresses the reversal curse through entity-aware training and balanced data construction. Specifically, DiffER introduces whole-entity masking, which mitigates entity fragmentation by predicting complete entities in a single step. DiffER further employs distribution-symmetric and relation-enhanced data construction strategies to alleviate data asymmetry and missing relations. Extensive experiments demonstrate that DiffER effectively alleviates the reversal curse in Diffusion LLMs, offering new perspectives for future research. The code is available at https://github.com/CQU-MM-Intelligent-Lab/DiffER.

Retrieving the biological impacts of protein-protein interactions (PPIs) is essential for target identification (Target ID) in drug development. Given the vast number of proteins involved, this process remains time-consuming and challenging. Large Language Models (LLMs) and Retrieval-Augmented Generation (RAG) frameworks have supported Target ID; however, no benchmark currently exists for identifying the biological impacts of PPIs. To bridge this gap, we introduce the RAG Benchmark for PPIs (RAGPPI), a factual question-answer benchmark of 4,420 question-answer pairs that focus on the potential biological impacts of PPIs. Through interviews with experts, we identified criteria for a benchmark dataset, such as a type of QA and source. We built a gold-standard dataset (500 QA pairs) through expert-driven data annotation. We developed an ensemble auto-evaluation LLM that incorporates expert labeling characteristics, average fact–abstract similarity (F₁), and low-similarity fact counts (F₂), enabling the construction of a silver-standard dataset (3,720 QA pairs). We are committed to maintaining RAGPPI as a resource to support the research community in advancing RAG systems for drug discovery QA solutions.

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find protein structures for drug binding. While Large Language Models (LLMs) and Retrieval-Augmented Generation (RAG) frameworks have accelerated drug discovery, integrating models into cohesive workflows remains challenging. We conducted a user study with drug discovery researchers to identify the applicability of LLMs and RAGs in Target ID. We identified two main findings: 1) an LLM should provide multiple Protein-Protein Interactions (PPIs) based on an initial protein and protein candidates that have a therapeutic impact; 2) the model must provide the PPI and relevant explanations for better understanding. Based on these observations, we identified three limitations on previous approaches for Target ID: 1) semantic ambiguity, 2) lack of explainability, and 3) short retrieval units. To address these issues, we propose GraPPI, a large-scale knowledge graph (KG)-based retrieve-divide-solve agent pipeline RAG framework to support large-scale PPI signaling pathway exploration in understanding therapeutic impacts by decomposing the analysis of entire PPI pathways into sub-tasks focused on the analysis of PPI edges.

Disentanglement of visual features of primitives (i.e., attributes and objects) has shown exceptional results in Compositional Zero-shot Learning (CZSL). However, due to the feature divergence of an attribute (resp. object) when combined with different objects (resp. attributes), it is challenging to learn disentangled primitive features that are general across different compositions. To this end, we propose the solution of cross-composition feature disentanglement, which takes multiple primitive-sharing compositions as inputs and constrains the disentangled primitive features to be general across these compositions. More specifically, we leverage a compositional graph to define the overall primitive-sharing relationships between compositions, and build a task-specific architecture upon the recently successful large pre-trained vision-language model (VLM) CLIP, with dual cross-composition disentangling adapters (called L-Adapter and V-Adapter) inserted into CLIP’s frozen text and image encoders, respectively. Evaluation on three popular CZSL benchmarks shows that our proposed solution significantly improves the performance of CZSL, and its components have been verified by solid ablation studies. Our code and data are available at: https://github.com/zhurunkai/DCDA.

Large Language Models (LLMs) have achieved considerable performance across various agentic planning tasks. However, traditional approaches adopt a “flood irrigation” methodology that indiscriminately injects gold trajectories, external feedback, and domain knowledge into agent models. This practice overlooks the fundamental human cognitive principle of self-awareness - the ability to dynamically assess situational demands and strategically employ resources during decision-making. We propose Agentic Knowledgeable Self-awareness to address this gap, a novel paradigm enabling LLM-based agents to autonomously regulate knowledge utilization. Specifically, we propose KnowSelf, a data-centric approach that applies agents with knowledgeable self-awareness like humans. Concretely, we devise a heuristic situation judgement criterion to mark special tokens on the agent’s self-explored trajectories for collecting training data. Through a two-stage training process, the agent model can switch between different situations by generating specific special tokens, achieving optimal planning effects with minimal costs. Our experiments demonstrate that can outperform various strong baselines on different tasks and models with minimal use of external knowledge.

Understanding knowledge mechanisms in Large Language Models (LLMs) is crucial for advancing towards trustworthy AGI. This paper reviews knowledge mechanism analysis from a novel taxonomy including knowledge utilization and evolution. Knowledge utilization delves into the mechanism of memorization, comprehension and application, and creation. Knowledge evolution focuses on the dynamic progression of knowledge within individual and group LLMs. Moreover, we discuss what knowledge LLMs have learned, the reasons for the fragility of parametric knowledge, and the potential dark knowledge (hypothesis) that will be challenging to address. We hope this work can help understand knowledge in LLMs and provide insights for future research.

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.

Reasoning, as an essential ability for complex problem-solving, can provide back-end support for various real-world applications, such as medical diagnosis, negotiation, etc. This paper provides a comprehensive survey of cutting-edge research on reasoning with language model prompting. We introduce research works with comparisons and summaries and provide systematic resources to help beginners. We also discuss the potential reasons for emerging such reasoning abilities and highlight future research directions. Resources are available at https://github.com/zjunlp/Prompt4ReasoningPapers (updated periodically).