Demonstrations and instructions are two primary approaches for prompting language models to perform in-context learning (ICL) tasks. Do identical tasks elicited in different ways result in similar representations of the task? An improved understanding of task representation mechanisms would offer interpretability insights and may aid in steering models. We study this through function vectors (FVs), recently proposed as a mechanism to extract few-shot ICL task representations. We generalize FVs to alternative task presentations, focusing on short textual instruction prompts, and successfully extract instruction function vectors that promote zero-shot task accuracy. We find evidence that demonstration-and instruction-based function vectors leverage different model components, and offer several controls to dissociate their contributions to task performance. Our results suggest that different task prompting forms do not induce a common task representation through FVs but elicit different, partly overlapping mechanisms. Our findings offer principled support to the practice of combining instructions and task demonstrations, imply challenges in universally monitoring task inference across presentation forms, and encourage further examinations of LLM task inference mechanisms.

Retrosynthetic planning is a fundamental task in chemical discovery. Due to the vast combinatorial search space, identifying viable synthetic routes remains a significant challenge--even for expert chemists. Recent advances in Large Language Models (LLMs), particularly equipped with reinforcement learning, have demonstrated strong human-like reasoning and planning abilities, especially in mathematics and code problem solving. This raises a natural question: Can the reasoning capabilities of LLMs be harnessed to develop an AI chemist capable of learning effective policies for multi-step retrosynthesis? In this study, we introduce Retro-R1, a novel LLM-based retrosynthesis agent trained via reinforcement learning to design molecular synthesis pathways. Unlike prior approaches, which typically rely on single-turn, question-answering formats, Retro-R1 interacts dynamically with plug-in single-step retrosynthesis tools and learns from environmental feedback. Experimental results show that Retro-R1 achieves a 55.79\% pass@1 success rate, surpassing the previous state of the art by 8.95\%. Notably, Retro-R1 demonstrates strong generalization to out-of-domain test cases, where existing methods tend to fail despite their high in-domain performance. Our work marks a significant step toward equipping LLMs with advanced, chemist-like reasoning abilities, highlighting the promise of reinforcement learning for enabling data-efficient, generalizable, and sophisticated scientific problem-solving in LLM-based agents.

Retrieval-augmented generation (RAG) systems enhance large language models (LLMs) with external knowledge but are vulnerable to corpus poisoning and contamination attacks, which can compromise output integrity. Existing defenses often apply aggressive filtering, leading to unnecessary loss of valuable information and reduced reliability in generation. To address this problem, we propose a two-stage semantic filtering and conflict-free framework for trustworthy RAG. In the first stage, we perform a joint filter with semantic and cluster-based filtering which is guided by the Entity-intent-relation extractor (EIRE). EIRE extracts entities, latent objectives, and entity relations from both the user query and filtered documents, scores their semantic relevance, and selectively adds valuable documents into the clean retrieval database. In the second stage, we proposed an EIRE-guided conflict-aware filtering module, which analyzes semantic consistency between the query, candidate answers, and retrieved knowledge before final answer generation, filtering out internal and external contradictions that could mislead the model. Through this two-stage process, SeCon-RAG effectively preserves useful knowledge while mitigating conflict contamination, achieving significant improvements in both generation robustness and output trustworthiness. Extensive experiments across various LLMs and datasets demonstrate that the proposed SeCon-RAG markedly outperforms state-of-the-art defense methods.

Post-training processes are essential phases in grounding pre-trained language models to real-world tasks, with learning from demonstrations or preference signals playing a crucial role in this adaptation. We present a unified theoretical framework bridging Supervised Fine-Tuning (SFT) and preference learning in Large Language Model (LLM) post-training. Through rigorous mathematical derivation, we demonstrate that both SFT and preference learning methods like Direct Preference Optimization (DPO) operate within the same optimal policy-reward subspace, with SFT representing a special case of implicit reward learning. Our analysis reveals a critical limitation in conventional SFT: the KL divergence term in distribution matching becomes constant with respect to the policy during optimization, failing to constrain model updates. To address this, we propose a simple yet effective learning rate reduction approach that yields significant performance improvements (up to \textbf{25\%} relative gain and \textbf{6\%} absolute win rate increase in instruction following tasks. Additionally, we derive alternative SFT objectives from various f-divergence functions that preserve the KL term during optimization, further enhancing post-DPO model performance. Finally, we extend the theoretical relationship between LLM logits and Q-functions from preference learning to the SFT context, providing mathematical derivations and experimental validation.

There is growing interest in integrating high-fidelity visual synthesis capabilities into large language models (LLMs) without compromising their strong reasoning capabilities. Existing methods that directly train LLMs or bridge LLMs and diffusion models usually suffer from costly training since the backbone LLMs have not seen image representations during pretraining. We present Bifrost-1, a unified framework that bridges pretrained multimodal LLMs (MLLMs) and diffusion models using patch-level CLIP image embeddings as latent variables, which are natively aligned with the MLLM's CLIP visual encoder. These patch-level image embeddings are integrated into the diffusion model with a lightweight adaptation of its ControlNet. To retain the original multimodal reasoning capabilities of MLLMs, we equip the MLLM with a visual generation branch initialized from the original MLLM parameters when predicting the patch-level image embeddings. By seamlessly integrating pretrained MLLMs and diffusion models with patch-level CLIP latents, our framework enables high-fidelity controllable image generation with significant training efficiency. Our experiments demonstrate that Bifrost-1 achieves comparable or better performance than previous methods in terms of visual fidelity and multimodal understanding, with substantially lower compute during training. We also provide comprehensive ablation studies showing the effectiveness of our design choices.

Transformer-based Large Language Models (LLMs) have demonstrated powerful in-context learning capabilities. However, their predictions can be disrupted by factually correct context, a phenomenon known as context hijacking, revealing a significant robustness issue. To understand this phenomenon theoretically, we explore an in-context linear classification problem based on recent advances in linear transformers. In our setup, context tokens are designed as factually correct query-answer pairs, where the queries are similar to the final query but have opposite labels. Then, we develop a general theoretical analysis on the robustness of the linear transformers, which is formulated as a function of the model depth, training context lengths, and number of hijacking context tokens. A key finding is that a well-trained deeper transformer can achieve higher robustness, which aligns with empirical observations. We show that this improvement arises because deeper layers enable more fine-grained optimization steps, effectively mitigating interference from context hijacking. This is also well supported by our numerical and real-world experiments. Our findings provide theoretical insights into the benefits of deeper architectures and contribute to enhancing the understanding of transformer architectures.

Industrial Anomaly Detection (IAD) is an indispensable quality control technology in modern production processes. Recently, on account of the outstanding visual comprehension and cross-domain knowledge transfer capabilities of multimodal large language models (MLLMs), existing studies have explored the application of MLLMs in the IAD domain and established some multimodal IAD datasets. However, although the latest datasets contain various fundamental IAD tasks, they formulate tasks in a general question-and-answer format lacking a rigorous reasoning process, and they are relatively limited in the diversity of scenarios, which restricts their reliability in practical applications. In this paper, we propose AnomalyCoT, a multimodal Chain-of-Thought (CoT) dataset for multi-scenario IAD tasks. It consists of 37,565 IAD samples with the CoT data and is defined by challenging composite IAD tasks. Meanwhile, the CoT data for each sample provides precise coordinates of anomaly regions, thereby improving visual comprehension of defects across different types. AnomalyCoT is constructed through a systematic pipeline and involves multiple manual operations. Based on AnomalyCoT, we conducted a comprehensive evaluation of various mainstream MLLMs and fine-tuned representative models in different ways. The final results show that Gemini-2.0-flash

Proprietary large language models (LLMs) exhibit strong generalization capabilities across diverse tasks and are increasingly deployed on edge devices for efficiency and privacy reasons. However, deploying proprietary LLMs at the edge without adequate protection introduces critical security threats. Attackers can extract model weights and architectures, enabling unauthorized copying and misuse. Even when protective measures prevent full extraction of model weights, attackers may still perform advanced attacks, such as fine-tuning, to further exploit the model. Existing defenses against these threats typically incur significant computational and communication overhead, making them impractical for edge deployment. To safeguard the edge-deployed LLMs, we introduce CoreGuard, a computation-and communication-efficient protection method. CoreGuard employs an efficient protection protocol to reduce computational overhead and minimize communication overhead via a propagation protocol. Extensive experiments show that CoreGuard achieves upper-bound security protection with negligible overhead.

Chain-of-Thought (CoT) has widely enhanced mathematical reasoning in Large Language Models (LLMs), but it still remains challenging for extending it to multimodal domains. Existing works either adopt a similar textual reasoning for image input, or seek to interleave visual signals into mathematical CoT. However, they face three key limitations for math problem-solving: .

Existing AutoML systems have advanced the automation of machine learning (ML); however, they still require substantial manual configuration and expert input, particularly when handling multimodal data. We introduce MLZero, a novel multi-agent framework powered by Large Language Models (LLMs) that enables end-to-end ML automation across diverse data modalities with minimal human intervention. A cognitive perception module is first employed, transforming raw multimodal inputs into perceptual context that effectively guides the subsequent workflow. To address key limitations of LLMs, such as hallucinated code generation and outdated API knowledge, we enhance the iterative code generation process with semantic and episodic memory. MLZero demonstrates superior performance on MLE-Bench Lite, outperforming all competitors in both success rate and solution quality, securing six gold medals. Furthermore, when evaluated on our Multimodal AutoML Agent Benchmark, which includes 25 more challenging tasks spanning diverse data modalities, MLZero outperforms the competing methods by a large margin with a success rate of 0.92 (+263.6\%)