AI4Research: A Survey of Artificial Intelligence for Scientific Research

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental coding. Motivated by these advancements, numerous studies have explored the application of AI in the innovation process, particularly in the context of scientific research. These AI technologies primarily aim to develop systems that can autonomously conduct research processes across a wide range of scientific disciplines. Despite these significant strides, a comprehensive survey on AI for Research (AI4Research) remains absent, which hampers our understanding and impedes further development in this field. To address this gap, we present a comprehensive survey and offer a unified perspective on AI4Research. Specifically, the main contributions of our work are as follows: (1) Systematic taxonomy: We first introduce a systematic taxonomy to classify five mainstream tasks in AI4Research. (2) New frontiers: Then, we identify key research gaps and highlight promising future directions, focusing on the rigor and scalability of automated experiments, as well as the societal impact. (3) Abundant applications and resources: Finally, we compile a wealth of resources, including relevant multidisciplinary applications, data corpora, and tools. We hope our work will provide the research community with quick access to these resources and stimulate innovative breakthroughs in AI4Research.

Manager: Aggregating Insights from Unimodal Experts in Two-Tower VLMs and MLLMs

Two-Tower Vision--Language Models (VLMs) have demonstrated strong performance across various downstream VL tasks. While BridgeTower further enhances performance by building bridges between encoders, it \textit{(i)} suffers from ineffective layer-by-layer utilization of unimodal representations, \textit{(ii)} restricts the flexible exploitation of different levels of unimodal semantic knowledge, and \textit{(iii)} is limited to the evaluation on traditional low-resolution datasets only with the Two-Tower VLM architecture. In this work, we propose Manager, a lightweight, efficient and effective plugin that adaptively aggregates insights from different levels of pre-trained unimodal experts to facilitate more comprehensive VL alignment and fusion. First, under the Two-Tower VLM architecture, we introduce ManagerTower, a novel VLM that introduces the manager in each cross-modal layer. Whether with or without VL pre-training, ManagerTower outperforms previous strong baselines and achieves superior performance on 4 downstream VL tasks. Moreover, we extend our exploration to the latest Multimodal Large Language Model (MLLM) architecture. We demonstrate that LLaVA-OV-Manager significantly boosts the zero-shot performance of LLaVA-OV across different categories of capabilities, images, and resolutions on 20 downstream datasets, whether the multi-grid algorithm is enabled or not. In-depth analysis reveals that both our manager and the multi-grid algorithm can be viewed as a plugin that improves the visual representation by capturing more diverse visual details from two orthogonal perspectives (depth and width). Their synergy can mitigate the semantic ambiguity caused by the multi-grid algorithm and further improve performance. Code and models are available at https://github.com/LooperXX/ManagerTower.

CCHall: A Novel Benchmark for Joint Cross-Lingual and Cross-Modal Hallucinations Detection in Large Language Models

Investigating hallucination issues in large language models (LLMs) within cross-lingual and cross-modal scenarios can greatly advance the large-scale deployment in real-world applications. Nevertheless, the current studies are limited to a single scenario, either cross-lingual or cross-modal, leaving a gap in the exploration of hallucinations in the joint cross-lingual and cross-modal scenarios. Motivated by this, we introduce a novel joint Cross-lingual and Cross-modal Hallucinations benchmark (CCHall) to fill this gap. Specifically, CCHall simultaneously incorporates both cross-lingual and cross-modal hallucination scenarios, which can be used to assess the cross-lingual and cross-modal capabilities of LLMs. Furthermore, we conduct a comprehensive evaluation on CCHall, exploring both mainstream open-source and closed-source LLMs. The experimental results highlight that current LLMs still struggle with CCHall. We hope CCHall can serve as a valuable resource to assess LLMs in joint cross-lingual and cross-modal scenarios.

HASH-RAG: Bridging Deep Hashing with Retriever for Efficient, Fine Retrieval and Augmented Generation

Retrieval-Augmented Generation (RAG) encounters efficiency challenges when scaling to massive knowledge bases while preserving contextual relevance. We propose Hash-RAG, a framework that integrates deep hashing techniques with systematic optimizations to address these limitations. Our queries directly learn binary hash codes from knowledgebase code, eliminating intermediate feature extraction steps, and significantly reducing storage and computational overhead. Building upon this hash-based efficient retrieval framework, we establish the foundation for fine-grained chunking. Consequently, we design a Prompt-Guided Chunk-to-Context (PGCC) module that leverages retrieved hash-indexed propositions and their original document segments through prompt engineering to enhance the LLM's contextual awareness. Experimental evaluations on NQ, TriviaQA, and HotpotQA datasets demonstrate that our approach achieves a 90% reduction in retrieval time compared to conventional methods while maintaining considerate recall performance. Additionally, The proposed system outperforms retrieval/non-retrieval baselines by 1.4-4.3% in EM scores.

Visual Thoughts: A Unified Perspective of Understanding Multimodal Chain-of-Thought

Large Vision-Language Models (LVLMs) have achieved significant success in multimodal tasks, with multimodal chain-of-thought (MCoT) further enhancing performance and interpretability. Recent MCoT methods fall into two categories: (i) Textual-MCoT (T-MCoT), which takes multimodal input and produces textual output; and (ii) Interleaved-MCoT (I-MCoT), which generates interleaved image-text outputs. Despite advances in both approaches, the mechanisms driving these improvements are not fully understood. To fill this gap, we first reveal that MCoT boosts LVLMs by incorporating visual thoughts, which convey image information to the reasoning process regardless of the MCoT format, depending only on clarity and conciseness of expression. Furthermore, to explore visual thoughts systematically, we define four distinct forms of visual thought expressions and analyze them comprehensively. Our findings demonstrate that these forms differ in clarity and conciseness, yielding varying levels of MCoT improvement. Additionally, we explore the internal nature of visual thoughts, finding that visual thoughts serve as intermediaries between the input image and reasoning to deeper transformer layers, enabling more advanced visual information transmission. We hope that the visual thoughts can inspire further breakthroughs for future MCoT research.

X-WebAgentBench: A Multilingual Interactive Web Benchmark for Evaluating Global Agentic System

Recently, large language model (LLM)-based agents have achieved significant success in interactive environments, attracting significant academic and industrial attention. Despite these advancements, current research predominantly focuses on English scenarios. In reality, there are over 7,000 languages worldwide, all of which demand access to comparable agentic services. Nevertheless, the development of language agents remains inadequate for meeting the diverse requirements of multilingual agentic applications. To fill this gap, we introduce X-WebAgentBench, a novel multilingual agent benchmark in an interactive web environment, which evaluates the planning and interaction performance of language agents across multiple languages, thereby contributing to the advancement of global agent intelligence. Additionally, we assess the performance of various LLMs and cross-lingual alignment methods, examining their effectiveness in enhancing agents. Our findings reveal that even advanced models like GPT-4o, when combined with cross-lingual techniques, fail to achieve satisfactory results. We hope that X-WebAgentBench can serve as a valuable benchmark for multilingual agent scenario in real-world applications.

Accelerating Adaptive Retrieval Augmented Generation via Instruction-Driven Representation Reduction of Retrieval Overlaps

Retrieval-augmented generation (RAG) has emerged as a pivotal method for expanding the knowledge of large language models. To handle complex queries more effectively, researchers developed Adaptive-RAG (A-RAG) to enhance the generated quality through multiple interactions with external knowledge bases. Despite its effectiveness, A-RAG exacerbates the pre-existing efficiency challenges inherent in RAG, which are attributable to its reliance on multiple iterations of generation. Existing A-RAG approaches process all retrieved contents from scratch. However, they ignore the situation where there is a significant overlap in the content of the retrieval results across rounds. The overlapping content is redundantly represented, which leads to a large proportion of repeated computations, thus affecting the overall efficiency. To address this issue, this paper introduces a model-agnostic approach that can be generally applied to A-RAG methods, which is dedicated to reducing the redundant representation process caused by the overlapping of retrieval results. Specifically, we use cache access and parallel generation to speed up the prefilling and decoding stages respectively. Additionally, we also propose an instruction-driven module to further guide the model to more effectively attend to each part of the content in a more suitable way for LLMs. Experiments show that our approach achieves 2.79 and 2.33 times significant acceleration on average for prefilling and decoding respectively while maintaining equal generation quality.

RBF++: Quantifying and Optimizing Reasoning Boundaries across Measurable and Unmeasurable Capabilities for Chain-of-Thought Reasoning

Chain-of-Thought (CoT) reasoning has proven effective in enhancing large language models (LLMs) on complex tasks, spurring research into its underlying mechanisms. However, two primary challenges remain for real-world applications: (1) the lack of quantitative metrics and actionable guidelines for evaluating and optimizing measurable boundaries of CoT capability, and (2) the absence of methods to assess boundaries of unmeasurable CoT capability, such as multimodal perception. To address these gaps, we introduce the Reasoning Boundary Framework++ (RBF++). To tackle the first challenge, we define the reasoning boundary (RB) as the maximum limit of CoT performance. We also propose a combination law for RBs, enabling quantitative analysis and offering actionable guidance across various CoT tasks. For the second challenge, particularly in multimodal scenarios, we introduce a constant assumption, which replaces unmeasurable RBs with scenario-specific constants. Additionally, we propose the reasoning boundary division mechanism, which divides unmeasurable RBs into two sub-boundaries, facilitating the quantification and optimization of both unmeasurable domain knowledge and multimodal perception capabilities. Extensive experiments involving 38 models across 13 tasks validate the feasibility of our framework in cross-modal settings. Additionally, we evaluate 10 CoT strategies, offer insights into optimization and decay from two complementary perspectives, and expand evaluation benchmarks for measuring RBs in LLM reasoning. We hope this work advances the understanding of RBs and optimization strategies in LLMs. Code and data are available at https://github.com/LightChen233/reasoning-boundary.

Neuronal Activation States as Sample Embeddings for Data Selection in Task-Specific Instruction Tuning

Task-specific instruction tuning enhances the performance of large language models (LLMs) on specialized tasks, yet efficiently selecting relevant data for this purpose remains a challenge. Inspired by neural coactivation in the human brain, we propose a novel data selection method called NAS, which leverages neuronal activation states as embeddings for samples in the feature space. Extensive experiments show that NAS outperforms classical data selection methods in terms of both effectiveness and robustness across different models, datasets, and selection ratios.

DLPO: Towards a Robust, Efficient, and Generalizable Prompt Optimization Framework from a Deep-Learning Perspective

Large Language Models (LLMs) have achieved remarkable success across diverse tasks, largely driven by well-designed prompts. However, crafting and selecting such prompts often requires considerable human effort, significantly limiting its scalability. To mitigate this, recent studies have explored automated prompt optimization as a promising solution. Despite these efforts, existing methods still face critical challenges in robustness, efficiency, and generalization. To systematically address these challenges, we first conduct an empirical analysis to identify the limitations of current reflection-based prompt optimization paradigm. Building on these insights, we propose 7 innovative approaches inspired by traditional deep learning paradigms for prompt optimization (DLPO), seamlessly integrating these concepts into text-based gradient optimization. Through these advancements, we progressively tackle the aforementioned challenges and validate our methods through extensive experimentation. We hope our study not only provides valuable guidance for future research but also offers a comprehensive understanding of the challenges and potential solutions in prompt optimization. Our code is available at https://github.com/sfasfaffa/DLPO.