Daily Papers

Agentic systems have recently emerged as a promising tool to automate literature-based ideation. However, current systems often remain black-box, with limited transparency or control for researchers. Our work introduces TrustResearcher, a multi-agent demo system for knowledge-grounded and transparent ideation. Specifically, TrustResearcher integrates meticulously designed four stages into a unified framework: (A) Structured Knowledge Curation, (B) Diversified Idea Generation, (C) Multi-stage Idea Selection, and (D) Expert Panel Review and Synthesis. Different from prior pipelines, our system not only exposes intermediate reasoning states, execution logs, and configurable agents for inspections, but also enables diverse and evidence-aligned idea generation. Our design is also domain-agnostic, where the same pipeline can be instantiated in any scientific field. As an illustrative case, we demonstrate TrustResearcher on a graph-mining scenario (k-truss breaking problem), where it generates distinct, plausible candidates with evidence and critiques. A live demo and source code are available at https://github.com/valleysprings/TrustResearcher

The rapid evolution of Large Language Models has catalyzed a surge in scientific idea production, yet this leap has not been accompanied by a matching advance in idea evaluation. The fundamental nature of scientific evaluation needs knowledgeable grounding, collective deliberation, and multi-criteria decision-making. However, existing idea evaluation methods often suffer from narrow knowledge horizons, flattened evaluation dimensions, and the inherent bias in LLM-as-a-Judge. To address these, we regard idea evaluation as a knowledge-grounded, multi-perspective reasoning problem and introduce InnoEval, a deep innovation evaluation framework designed to emulate human-level idea assessment. We apply a heterogeneous deep knowledge search engine that retrieves and grounds dynamic evidence from diverse online sources. We further achieve review consensus with an innovation review board containing reviewers with distinct academic backgrounds, enabling a multi-dimensional decoupled evaluation across multiple metrics. We construct comprehensive datasets derived from authoritative peer-reviewed submissions to benchmark InnoEval. Experiments demonstrate that InnoEval can consistently outperform baselines in point-wise, pair-wise, and group-wise evaluation tasks, exhibiting judgment patterns and consensus highly aligned with human experts.

Recent advancements in large language models (LLMs) have shown promise in generating novel research ideas. However, these ideas often face challenges related to feasibility and expected effectiveness. This paper explores how augmenting LLMs with relevant data during the idea generation process can enhance the quality of generated ideas. We introduce two ways of incorporating data: (1) providing metadata during the idea generation stage to guide LLMs toward feasible directions, and (2) adding automatic validation during the idea selection stage to assess the empirical plausibility of hypotheses within ideas. We conduct experiments in the social science domain, specifically with climate negotiation topics, and find that metadata improves the feasibility of generated ideas by 20%, while automatic validation improves the overall quality of selected ideas by 7%. A human study shows that LLM-generated ideas, along with their related data and validation processes, inspire researchers to propose research ideas with higher quality. Our work highlights the potential of data-driven research idea generation, and underscores the practical utility of LLM-assisted ideation in real-world academic settings.

Large-scale Language Models (LLMs) have revolutionized human-AI interaction and achieved significant success in the generation of novel ideas. However, current assessments of idea generation overlook crucial factors such as knowledge leakage in LLMs, the absence of open-ended benchmarks with grounded truth, and the limited scope of feasibility analysis constrained by prompt design. These limitations hinder the potential of uncovering groundbreaking research ideas. In this paper, we present AI Idea Bench 2025, a framework designed to quantitatively evaluate and compare the ideas generated by LLMs within the domain of AI research from diverse perspectives. The framework comprises a comprehensive dataset of 3,495 AI papers and their associated inspired works, along with a robust evaluation methodology. This evaluation system gauges idea quality in two dimensions: alignment with the ground-truth content of the original papers and judgment based on general reference material. AI Idea Bench 2025's benchmarking system stands to be an invaluable resource for assessing and comparing idea-generation techniques, thereby facilitating the automation of scientific discovery.

Scientific idea generation lies at the heart of scientific discovery and has driven human progress-whether by solving unsolved problems or proposing novel hypotheses to explain unknown phenomena. Unlike standard scientific reasoning or general creative generation, idea generation in science is a multi-objective and open-ended task, where the novelty of a contribution is as essential as its empirical soundness. Large language models (LLMs) have recently emerged as promising generators of scientific ideas, capable of producing coherent and factual outputs with surprising intuition and acceptable reasoning, yet their creative capacity remains inconsistent and poorly understood. This survey provides a structured synthesis of methods for LLM-driven scientific ideation, examining how different approaches balance creativity with scientific soundness. We categorize existing methods into five complementary families: External knowledge augmentation, Prompt-based distributional steering, Inference-time scaling, Multi-agent collaboration, and Parameter-level adaptation. To interpret their contributions, we employ two complementary frameworks: Boden's taxonomy of Combinatorial, Exploratory and Transformational creativity to characterize the level of ideas each family expected to generate, and Rhodes' 4Ps framework-Person, Process, Press, and Product-to locate the aspect or source of creativity that each method emphasizes. By aligning methodological advances with creativity frameworks, this survey clarifies the state of the field and outlines key directions toward reliable, systematic, and transformative applications of LLMs in scientific discovery.

Effective research ideation is a critical step for scientific research. However, the exponential increase in scientific literature makes it challenging for researchers to stay current with recent advances and identify meaningful research directions. Recent developments in large language models~(LLMs) suggest a promising avenue for automating the generation of novel research ideas. However, existing methods for idea generation either trivially prompt LLMs or directly expose LLMs to extensive literature without indicating useful information. Inspired by the research process of human researchers, we propose a Chain-of-Ideas~(CoI) agent, an LLM-based agent that organizes relevant literature in a chain structure to effectively mirror the progressive development in a research domain. This organization facilitates LLMs to capture the current advancements in research, thereby enhancing their ideation capabilities. Furthermore, we propose Idea Arena, an evaluation protocol that can comprehensively evaluate idea generation methods from different perspectives, aligning closely with the preferences of human researchers. Experimental results indicate that the CoI agent consistently outperforms other methods and shows comparable quality as humans in research idea generation. Moreover, our CoI agent is budget-friendly, with a minimum cost of \$0.50 to generate a candidate idea and its corresponding experimental design.

The rapid advancement in capabilities of large language models (LLMs) raises a pivotal question: How can LLMs accelerate scientific discovery? This work tackles the crucial first stage of research, generating novel hypotheses. While recent work on automated hypothesis generation focuses on multi-agent frameworks and extending test-time compute, none of the approaches effectively incorporate transparency and steerability through a synergistic Human-in-the-loop (HITL) approach. To address this gap, we introduce IRIS: Interactive Research Ideation System, an open-source platform designed for researchers to leverage LLM-assisted scientific ideation. IRIS incorporates innovative features to enhance ideation, including adaptive test-time compute expansion via Monte Carlo Tree Search (MCTS), fine-grained feedback mechanism, and query-based literature synthesis. Designed to empower researchers with greater control and insight throughout the ideation process. We additionally conduct a user study with researchers across diverse disciplines, validating the effectiveness of our system in enhancing ideation. We open-source our code at https://github.com/Anikethh/IRIS-Interactive-Research-Ideation-System

Scientific innovation is pivotal for humanity, and harnessing large language models (LLMs) to generate research ideas could transform discovery. However, existing LLMs often produce simplistic and repetitive suggestions due to their limited ability in acquiring external knowledge for innovation. To address this problem, we introduce an enhanced planning and search methodology designed to boost the creative potential of LLM-based systems. Our approach involves an iterative process to purposely plan the retrieval of external knowledge, progressively enriching the idea generation with broader and deeper insights. Validation through automated and human assessments indicates that our framework substantially elevates the quality of generated ideas, particularly in novelty and diversity. The number of unique novel ideas produced by our framework is 3.4 times higher than without it. Moreover, our method outperforms the current state-of-the-art, generating at least 2.5 times more top-rated ideas based on 170 seed papers in a Swiss Tournament evaluation.

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of a comprehensive and systematic evaluation framework for generating research ideas using LLMs poses a significant obstacle to understanding and assessing their generative capabilities in scientific discovery. To address this gap, we propose IdeaBench, a benchmark system that includes a comprehensive dataset and an evaluation framework for standardizing the assessment of research idea generation using LLMs. Our dataset comprises titles and abstracts from a diverse range of influential papers, along with their referenced works. To emulate the human process of generating research ideas, we profile LLMs as domain-specific researchers and ground them in the same context considered by human researchers. This maximizes the utilization of the LLMs' parametric knowledge to dynamically generate new research ideas. We also introduce an evaluation framework for assessing the quality of generated research ideas. Our evaluation framework is a two-stage process: first, using GPT-4o to rank ideas based on user-specified quality indicators such as novelty and feasibility, enabling scalable personalization; and second, calculating relative ranking based "Insight Score" to quantify the chosen quality indicator. The proposed benchmark system will be a valuable asset for the community to measure and compare different LLMs, ultimately advancing the automation of the scientific discovery process.

The increasing adoption of large language models (LLMs) has been accompanied by growing concerns regarding their reliability and trustworthiness. As a result, a growing body of research focuses on evidence-based text generation with LLMs, aiming to link model outputs to supporting evidence to ensure traceability and verifiability. However, the field is fragmented due to inconsistent terminology, isolated evaluation practices, and a lack of unified benchmarks. To bridge this gap, we systematically analyze 134 papers, introduce a unified taxonomy of evidence-based text generation with LLMs, and investigate 300 evaluation metrics across seven key dimensions. Thereby, we focus on approaches that use citations, attribution, or quotations for evidence-based text generation. Building on this, we examine the distinctive characteristics and representative methods in the field. Finally, we highlight open challenges and outline promising directions for future work.

AI holds promise for transforming scientific processes, including hypothesis generation. Prior work on hypothesis generation can be broadly categorized into theory-driven and data-driven approaches. While both have proven effective in generating novel and plausible hypotheses, it remains an open question whether they can complement each other. To address this, we develop the first method that combines literature-based insights with data to perform LLM-powered hypothesis generation. We apply our method on five different datasets and demonstrate that integrating literature and data outperforms other baselines (8.97\% over few-shot, 15.75\% over literature-based alone, and 3.37\% over data-driven alone). Additionally, we conduct the first human evaluation to assess the utility of LLM-generated hypotheses in assisting human decision-making on two challenging tasks: deception detection and AI generated content detection. Our results show that human accuracy improves significantly by 7.44\% and 14.19\% on these tasks, respectively. These findings suggest that integrating literature-based and data-driven approaches provides a comprehensive and nuanced framework for hypothesis generation and could open new avenues for scientific inquiry.

Recently, large language models (LLMs) have shown promising abilities to generate novel research ideas in science, a direction which coincides with many foundational principles in computational creativity (CC). In light of these developments, we present an idea generation system named Spark that couples retrieval-augmented idea generation using LLMs with a reviewer model named Judge trained on 600K scientific reviews from OpenReview. Our work is both a system demonstration and intended to inspire other CC researchers to explore grounding the generation and evaluation of scientific ideas within foundational CC principles. To this end, we release the annotated dataset used to train Judge, inviting other researchers to explore the use of LLMs for idea generation and creative evaluations.

Despite interdisciplinary research leading to larger and longer-term impact, most work remains confined to single-domain academic silos. Recent AI-based approaches to scientific discovery show promise for interdisciplinary research, but many prioritize rapidly designing experiments and solutions, bypassing the exploratory, collaborative reasoning processes that drive creative interdisciplinary breakthroughs. As a result, prior efforts largely prioritize automating scientific discovery rather than augmenting the reasoning processes that underlie scientific disruption. We present Idea-Catalyst, a novel framework that systematically identifies interdisciplinary insights to support creative reasoning in both humans and large language models. Starting from an abstract research goal, Idea-Catalyst is designed to assist the brainstorming stage, explicitly avoiding premature anchoring on specific solutions. The framework embodies key metacognitive features of interdisciplinary reasoning: (a) defining and assessing research goals, (b) awareness of a domain's opportunities and unresolved challenges, and (c) strategic exploration of interdisciplinary ideas based on impact potential. Concretely, Idea-Catalyst decomposes an abstract goal (e.g., improving human-AI collaboration) into core target-domain research questions that guide the analysis of progress and open challenges within that domain. These challenges are reformulated as domain-agnostic conceptual problems, enabling retrieval from external disciplines (e.g., Psychology, Sociology) that address analogous issues. By synthesizing and recontextualizing insights from these domains back into the target domain, Idea-Catalyst ranks source domains by their interdisciplinary potential. Empirically, this targeted integration improves average novelty by 21% and insightfulness by 16%, while remaining grounded in the original research problem.

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas. Despite this, no evaluations have shown that LLM systems can take the very first step of producing novel, expert-level ideas, let alone perform the entire research process. We address this by establishing an experimental design that evaluates research idea generation while controlling for confounders and performs the first head-to-head comparison between expert NLP researchers and an LLM ideation agent. By recruiting over 100 NLP researchers to write novel ideas and blind reviews of both LLM and human ideas, we obtain the first statistically significant conclusion on current LLM capabilities for research ideation: we find LLM-generated ideas are judged as more novel (p < 0.05) than human expert ideas while being judged slightly weaker on feasibility. Studying our agent baselines closely, we identify open problems in building and evaluating research agents, including failures of LLM self-evaluation and their lack of diversity in generation. Finally, we acknowledge that human judgements of novelty can be difficult, even by experts, and propose an end-to-end study design which recruits researchers to execute these ideas into full projects, enabling us to study whether these novelty and feasibility judgements result in meaningful differences in research outcome.

Large Language Models (LLMs) have shown promise in accelerating the scientific research pipeline. A key capability for this process is the ability to generate novel research ideas, and prior studies have found settings in which LLM-generated research ideas were judged as more novel than human-expert ideas. However, a good idea should not simply appear to be novel, it should also result in better research after being executed. To test whether AI-generated ideas lead to better research outcomes, we conduct an execution study by recruiting 43 expert researchers to execute randomly-assigned ideas, either written by experts or generated by an LLM. Each expert spent over 100 hours implementing the idea and wrote a 4-page short paper to document the experiments. All the executed projects are then reviewed blindly by expert NLP researchers. Comparing the review scores of the same ideas before and after execution, the scores of the LLM-generated ideas decrease significantly more than expert-written ideas on all evaluation metrics (novelty, excitement, effectiveness, and overall; p < 0.05), closing the gap between LLM and human ideas observed at the ideation stage. When comparing the aggregated review scores from the execution study, we even observe that for many metrics there is a flip in rankings where human ideas score higher than LLM ideas. This ideation-execution gap highlights the limitations of current LLMs in generating truly effective research ideas and the challenge of evaluating research ideas in the absence of execution outcomes.

While chain-of-thought (CoT) prompting has revolutionized how LLMs perform reasoning tasks, its current methods and variations (e.g, Self-consistency, ReACT, Reflexion, Tree-of-Thoughts (ToT), Cumulative Reasoning (CR)) suffer from limitations like slowness, limited context grounding, hallucination and inconsistent outputs. To overcome these challenges, we introduce Evidence to Generate (E2G), a novel single-agent, two-step prompting framework. Instead of unverified reasoning claims, this innovative approach leverages the power of "evidence for decision making" by first focusing exclusively on the thought sequences (the series of intermediate steps) explicitly mentioned in the context which then serve as extracted evidence, guiding the LLM's output generation process with greater precision and efficiency. This simple yet powerful approach unlocks the true potential of chain-of-thought like prompting, paving the way for faster, more reliable, and more contextually aware reasoning in LLMs. \tool achieves remarkable results robustly across a wide range of knowledge-intensive reasoning and generation tasks, surpassing baseline approaches with state-of-the-art LLMs. For example, (i) on LogiQA benchmark using GPT-4 as backbone model, \tool achieves a new state-of-the Accuracy of 53.8% exceeding CoT by 18%, ToT by 11%, CR by 9% (ii) a variant of E2G with PaLM2 outperforms the variable-shot performance of Gemini Ultra by 0.9 F1 points, reaching an F1 score of 83.3 on a subset of DROP.

A key component of creativity is associative reasoning: the ability to draw novel yet meaningful connections between concepts. We introduce CREATE, a benchmark designed to evaluate models' capacity for creative associative reasoning. CREATE requires models to generate sets of paths connecting concepts in a model's parametric knowledge. Paths should have high specificity (distinctiveness and closeness of the concept connection) and high diversity (dissimilarity from other paths), and models are scored more highly if they produce a larger set of strong, diverse paths. This task shares demands of real creativity tasks like hypothesis generation, including an extremely large search space, but enables collection of a sizable benchmark with objective answer grading. Evaluation of frontier models shows that the strongest models achieve higher creative utility than others, with the high multiplicity of answers and complexity of the search making benchmark saturation difficult to achieve. Furthermore, our results illustrate that thinking models are not always more effective on our task, even with high token budgets. Recent approaches for creative prompting give some but limited additional improvement. CREATE provides a sandbox for developing new methods to improve models' capacity for associative creativity.

This paper revisits Ramon Llull's Ars combinatoria - a medieval framework for generating knowledge through symbolic recombination - as a conceptual foundation for building a modern Llull's thinking machine for research ideation. Our approach defines three compositional axes: Theme (e.g., efficiency, adaptivity), Domain (e.g., question answering, machine translation), and Method (e.g., adversarial training, linear attention). These elements represent high-level abstractions common in scientific work - motivations, problem settings, and technical approaches - and serve as building blocks for LLM-driven exploration. We mine elements from human experts or conference papers and show that prompting LLMs with curated combinations produces research ideas that are diverse, relevant, and grounded in current literature. This modern thinking machine offers a lightweight, interpretable tool for augmenting scientific creativity and suggests a path toward collaborative ideation between humans and AI.

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of scientifically informed hypotheses. However, current foundation models often struggle to produce scientific ideas that are both novel and feasible. One reason is the lack of a dedicated dataset that frames Scientific Hypothesis Generation (SHG) as a Natural Language Generation (NLG) task. In this paper, we introduce HypoGen, the first dataset of approximately 5500 structured problem-hypothesis pairs extracted from top-tier computer science conferences structured with a Bit-Flip-Spark schema, where the Bit is the conventional assumption, the Spark is the key insight or conceptual leap, and the Flip is the resulting counterproposal. HypoGen uniquely integrates an explicit Chain-of-Reasoning component that reflects the intellectual process from Bit to Flip. We demonstrate that framing hypothesis generation as conditional language modelling, with the model fine-tuned on Bit-Flip-Spark and the Chain-of-Reasoning (and where, at inference, we only provide the Bit), leads to improvements in the overall quality of the hypotheses. Our evaluation employs automated metrics and LLM judge rankings for overall quality assessment. We show that by fine-tuning on our HypoGen dataset we improve the novelty, feasibility, and overall quality of the generated hypotheses. The HypoGen dataset is publicly available at huggingface.co/datasets/UniverseTBD/hypogen-dr1.

The rapid advancements in large language models (LLMs) have demonstrated their potential to accelerate scientific discovery, particularly in automating the process of research ideation. LLM-based systems have shown promise in generating hypotheses and research ideas. However, current approaches predominantly rely on prompting-based pre-trained models, limiting their ability to optimize generated content effectively. Moreover, they also lack the capability to deal with the complex interdependence and inherent restrictions among novelty, feasibility, and effectiveness, which remains challenging due to the inherent trade-offs among these dimensions, such as the innovation-feasibility conflict. To address these limitations, we for the first time propose fine-tuning LLMs to be better idea proposers and introduce a novel framework that employs a two-stage approach combining Supervised Fine-Tuning (SFT) and controllable Reinforcement Learning (RL). In the SFT stage, the model learns foundational patterns from pairs of research papers and follow-up ideas. In the RL stage, multi-dimensional reward modeling, guided by fine-grained feedback, evaluates and optimizes the generated ideas across key metrics. Dimensional controllers enable dynamic adjustment of generation, while a sentence-level decoder ensures context-aware emphasis during inference. Our framework provides a balanced approach to research ideation, achieving high-quality outcomes by dynamically navigating the trade-offs among novelty, feasibility, and effectiveness.

The exponential growth of knowledge and the increasing complexity of interdisciplinary research pose significant challenges for researchers, including information overload and difficulties in exploring novel ideas. The advancements in large language models (LLMs), such as GPT-4, have shown great potential in enhancing idea proposals, but how to effectively utilize large models for reasonable idea proposal has not been thoroughly explored. This paper proposes a scientific paper idea proposer (SciPIP). Based on a user-provided research background, SciPIP retrieves helpful papers from a literature database while leveraging the capabilities of LLMs to generate more novel and feasible ideas. To this end, 1) we construct a literature retrieval database, extracting lots of papers' multi-dimension information for fast access. Then, a literature retrieval method based on semantics, entity, and citation co-occurrences is proposed to search relevant literature from multiple aspects based on the user-provided background. 2) After literature retrieval, we introduce dual-path idea proposal strategies, where one path infers solutions from the retrieved literature and the other path generates original ideas through model brainstorming. We then combine the two to achieve a good balance between feasibility and originality. Through extensive experiments on the natural language processing (NLP) field, we demonstrate that SciPIP can retrieve citations similar to those of existing top conference papers and generate many ideas consistent with them. Additionally, we evaluate the originality of other ideas generated by SciPIP using large language models, further validating the effectiveness of our proposed method. The code and the database are released at https://github.com/cheerss/SciPIP.

Literature-Based Discovery (LBD) aims to discover new scientific knowledge by mining papers and generating hypotheses. Standard LBD is limited to predicting pairwise relations between discrete concepts (e.g., drug-disease links), and ignores critical contexts like experimental settings (e.g., a specific patient population where a drug is evaluated) and background motivations (e.g., to find drugs without specific side effects). We address these limitations with a novel formulation of contextualized-LBD (C-LBD): generating scientific hypotheses in natural language, while grounding them in a context that controls the hypothesis search space. We present a modeling framework using retrieval of ``inspirations'' from past scientific papers. Our evaluations reveal that GPT-4 tends to generate ideas with overall low technical depth and novelty, while our inspiration prompting approaches partially mitigate this issue. Our work represents a first step toward building language models that generate new ideas derived from scientific literature.

Large Language Models (LLMs) have achieved remarkable success in reasoning tasks with the development of prompting methods. However, existing prompting approaches cannot reuse insights of solving similar problems and suffer from accumulated errors in multi-step reasoning, since they prompt LLMs to reason from scratch. To address these issues, we propose \textit{Thought Propagation (TP)}, which explores the analogous problems and leverages their solutions to enhance the complex reasoning ability of LLMs. These analogous problems are related to the input one, with reusable solutions and problem-solving strategies. Thus, it is promising to propagate insights of solving previous analogous problems to inspire new problem-solving. To achieve this, TP first prompts LLMs to propose and solve a set of analogous problems that are related to the input one. Then, TP reuses the results of analogous problems to directly yield a new solution or derive a knowledge-intensive plan for execution to amend the initial solution obtained from scratch. TP is compatible with existing prompting approaches, allowing plug-and-play generalization and enhancement in a wide range of tasks without much labor in task-specific prompt engineering. Experiments across three challenging tasks demonstrate TP enjoys a substantial improvement over the baselines by an average of 12\% absolute increase in finding the optimal solutions in Shortest-path Reasoning, 13\% improvement of human preference in Creative Writing, and 15\% enhancement in the task completion rate of LLM-Agent Planning.

Autonomous scientific discovery with large language model (LLM)-based agents has recently made substantial progress, demonstrating the ability to automate end-to-end research workflows. However, existing systems largely rely on runtime-centric execution paradigms, repeatedly reading, summarizing, and reasoning over large volumes of scientific literature online. This on-the-spot computation strategy incurs high computational cost, suffers from context window limitations, and often leads to brittle reasoning and hallucination. We propose Idea2Story, a pre-computation-driven framework for autonomous scientific discovery that shifts literature understanding from online reasoning to offline knowledge construction. Idea2Story continuously collects peer-reviewed papers together with their review feedback, extracts core methodological units, composes reusable research patterns, and organizes them into a structured methodological knowledge graph. At runtime, underspecified user research intents are aligned to established research paradigms, enabling efficient retrieval and reuse of high-quality research patterns instead of open-ended generation and trial-and-error. By grounding research planning and execution in a pre-built knowledge graph, Idea2Story alleviates the context window bottleneck of LLMs and substantially reduces repeated runtime reasoning over literature. We conduct qualitative analyses and preliminary empirical studies demonstrating that Idea2Story can generate coherent, methodologically grounded, and novel research patterns, and can produce several high-quality research demonstrations in an end-to-end setting. These results suggest that offline knowledge construction provides a practical and scalable foundation for reliable autonomous scientific discovery.

Hypothesis generation is a fundamental step in scientific discovery, yet it is increasingly challenged by information overload and disciplinary fragmentation. Recent advances in Large Language Models (LLMs) have sparked growing interest in their potential to enhance and automate this process. This paper presents a comprehensive survey of hypothesis generation with LLMs by (i) reviewing existing methods, from simple prompting techniques to more complex frameworks, and proposing a taxonomy that categorizes these approaches; (ii) analyzing techniques for improving hypothesis quality, such as novelty boosting and structured reasoning; (iii) providing an overview of evaluation strategies; and (iv) discussing key challenges and future directions, including multimodal integration and human-AI collaboration. Our survey aims to serve as a reference for researchers exploring LLMs for hypothesis generation.

While Large Language Models (LLMs) have demonstrated remarkable capabilities in scientific tasks, existing evaluation frameworks primarily assess their performance using rich contextual inputs, overlooking their ability to generate novel ideas from minimal information. We introduce LiveIdeaBench, a comprehensive benchmark that evaluates LLMs' scientific creativity and divergent thinking capabilities using single-keyword prompts. Drawing from Guilford's creativity theory, our framework employs a dynamic panel of state-of-the-art LLMs to assess generated ideas across four key dimensions: originality, feasibility, fluency, and flexibility. Through extensive experimentation with 20 leading models across 1,180 keywords spanning 18 scientific domains, we reveal that scientific creative ability shows distinct patterns from general intelligence metrics. Notably, our results demonstrate that models like QwQ-32B-preview achieve comparable creative performance to top-tier models like o1-preview, despite significant gaps in their general intelligence scores. These findings highlight the importance of specialized evaluation frameworks for scientific creativity and suggest that the development of creative capabilities in LLMs may follow different trajectories than traditional problem-solving abilities.

As LLMs become increasingly prevalent, it is interesting to consider how ``creative'' these models can be. From cognitive science, creativity consists of at least two key characteristics: convergent thinking (purposefulness to achieve a given goal) and divergent thinking (adaptability to new environments or constraints) runco2003critical. In this work, we introduce a framework for quantifying LLM creativity that incorporates the two characteristics. This is achieved by (1) Denial Prompting pushes LLMs to come up with more creative solutions to a given problem by incrementally imposing new constraints on the previous solution, compelling LLMs to adopt new strategies, and (2) defining and computing the NeoGauge metric which examines both convergent and divergent thinking in the generated creative responses by LLMs. We apply the proposed framework on Codeforces problems, a natural data source for collecting human coding solutions. We quantify NeoGauge for various proprietary and open-source models and find that even the most creative model, GPT-4, still falls short of demonstrating human-like creativity. We also experiment with advanced reasoning strategies (MCTS, self-correction, etc.) and observe no significant improvement in creativity. As a by-product of our analysis, we release NeoCoder dataset for reproducing our results on future models.

Scientific discovery is a cumulative process and requires new ideas to be situated within an ever-expanding landscape of existing knowledge. An emerging and critical challenge is how to identify conceptually relevant prior work from rapidly growing literature, and assess how a new idea differentiates from existing research. Current embedding approaches typically conflate distinct conceptual aspects into single representations and cannot support fine-grained literature retrieval; meanwhile, LLM-based evaluators are subject to sycophancy biases, failing to provide discriminative novelty assessment. To tackle these challenges, we introduce the Ideation Space, a structured representation that decomposes scientific knowledge into three distinct dimensions, i.e., research problem, methodology, and core findings, each learned through contrastive training. This framework enables principled measurement of conceptual distance between ideas, and modeling of ideation transitions that capture the logical connections within a proposed idea. Building upon this representation, we propose a Hierarchical Sub-Space Retrieval framework for efficient, targeted literature retrieval, and a Decomposed Novelty Assessment algorithm that identifies which aspects of an idea are novel. Extensive experiments demonstrate substantial improvements, where our approach achieves Recall@30 of 0.329 (16.7% over baselines), our ideation transition retrieval reaches Hit Rate@30 of 0.643, and novelty assessment attains 0.37 correlation with expert judgments. In summary, our work provides a promising paradigm for future research on accelerating and evaluating scientific discovery.

Conditional story generation is significant in human-machine interaction, particularly in producing stories with complex plots. While Large language models (LLMs) perform well on multiple NLP tasks, including story generation, it is challenging to generate stories with both complex and creative plots. Existing methods often rely on detailed prompts to guide LLMs to meet target conditions, which inadvertently restrict the creative potential of the generated stories. We argue that leveraging information from exemplary human-written stories facilitates generating more diverse plotlines. Delving deeper into story details helps build complex and credible plots. In this paper, we propose a retrieval-auGmented stoRy generation framework with a fOrest of eVidEnce (GROVE) to enhance stories' complexity. We build a retrieval repository for target conditions to produce few-shot examples to prompt LLMs. Additionally, we design an ``asking-why'' prompting scheme that extracts a forest of evidence, providing compensation for the ambiguities that may occur in the generated story. This iterative process uncovers underlying story backgrounds. Finally, we select the most fitting chains of evidence from the evidence forest and integrate them into the generated story, thereby enhancing the narrative's complexity and credibility. Experimental results and numerous examples verify the effectiveness of our method.

Large language models are increasingly being used to assess and forecast research ideas, yet we lack scalable ways to evaluate the quality of models' judgments about these scientific ideas. Towards this goal, we introduce PoT, a semi-verifiable benchmarking framework that links scientific idea judgments to downstream signals that become observable later (e.g., citations and shifts in researchers' agendas). PoT freezes a pre-cutoff snapshot of evidence in an offline sandbox and asks models to forecast post-cutoff outcomes, enabling verifiable evaluation when ground truth arrives, scalable benchmarking without exhaustive expert annotation, and analysis of human-model misalignment against signals such as peer-review awards. In addition, PoT provides a controlled testbed for agent-based research judgments that evaluate scientific ideas, comparing tool-using agents to non-agent baselines under prompt ablations and budget scaling. Across 30,000+ instances spanning four benchmark domains, we find that, compared with non-agent baselines, higher interaction budgets generally improve agent performance, while the benefit of tool use is strongly task-dependent. By combining time-partitioned, future-verifiable targets with an offline sandbox for tool use, PoT supports scalable evaluation of agents on future-facing scientific idea judgment tasks.

Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained setting: (1) the observation annotations in the dataset are carefully manually handpicked sentences (resulting in a close-domain setting); and (2) the ground truth hypotheses are mostly commonsense knowledge, making the task less challenging. In this work, we tackle these problems by proposing the first dataset for social science academic hypotheses discovery, with the final goal to create systems that automatically generate valid, novel, and helpful scientific hypotheses, given only a pile of raw web corpus. Unlike previous settings, the new dataset requires (1) using open-domain data (raw web corpus) as observations; and (2) proposing hypotheses even new to humanity. A multi-module framework is developed for the task, including three different feedback mechanisms to boost performance, which exhibits superior performance in terms of both GPT-4 based and expert-based evaluation. To the best of our knowledge, this is the first work showing that LLMs are able to generate novel (''not existing in literature'') and valid (''reflecting reality'') scientific hypotheses.

The integration of Large Language Models (LLMs) into the scientific ecosystem raises fundamental questions about the creativity and originality of AI-generated research. Recent work has identified ``smart plagiarism'' as a concern in single-step prompting approaches, where models reproduce existing ideas with terminological shifts. This paper investigates whether agentic workflows -- multi-step systems employing iterative reasoning, evolutionary search, and recursive decomposition -- can generate more novel and feasible research plans. We benchmark five reasoning architectures: Reflection-based iterative refinement, Sakana AI v2 evolutionary algorithms, Google Co-Scientist multi-agent framework, GPT Deep Research (GPT-5.1) recursive decomposition, and Gemini~3 Pro multimodal long-context pipeline. Using evaluations from thirty proposals each on novelty, feasibility, and impact, we find that decomposition-based and long-context workflows achieve mean novelty of 4.17/5, while reflection-based approaches score significantly lower (2.33/5). Results reveal varied performance across research domains, with high-performing workflows maintaining feasibility without sacrificing creativity. These findings support the view that carefully designed multi-stage agentic workflows can advance AI-assisted research ideation.

Large language models (LLMs) have significant potential for generating educational questions and problems, enabling educators to create large-scale learning materials. However, LLMs are fundamentally limited by the ``Artificial Hivemind'' effect, where they generate similar responses within the same model and produce homogeneous outputs across different models. As a consequence, students may be exposed to overly similar and repetitive LLM-generated problems, which harms diversity of thought. Drawing inspiration from Wallas's theory of creativity and Guilford's framework of divergent-convergent thinking, we propose CreativeDC, a two-phase prompting method that explicitly scaffolds the LLM's reasoning into distinct phases. By decoupling creative exploration from constraint satisfaction, our method enables LLMs to explore a broader space of ideas before committing to a final problem. We evaluate CreativeDC for creative problem generation using a comprehensive set of metrics that capture diversity, novelty, and utility. The results show that CreativeDC achieves significantly higher diversity and novelty compared to baselines while maintaining high utility. Moreover, scaling analysis shows that CreativeDC generates a larger effective number of distinct problems as more are sampled, increasing at a faster rate than baseline methods.

Recent Long-Context Language Models (LCLMs) can process hundreds of thousands of tokens in a single prompt, enabling new opportunities for knowledge-intensive multi-hop reasoning by integrating large sets of retrieved documents or, in some cases, directly all necessary information. However, simply feeding more documents into the context window fails to capture how evidence should be connected. We address this gap with thought templates, which recast reasoning as reusable thought caches, derived from prior problem solving traces, structuring how evidence is combined and guiding multi-hop inference with factual documents. To keep these templates effective, we propose an update strategy that iteratively refines templates derived from training data through natural-language feedback. Across diverse benchmarks and LCLM families, our approach delivers consistent gains over strong baselines in both retrieval-based and retrieval-free settings. Furthermore, we show that optimized templates can be distilled into smaller open-source models, demonstrating its broad applicability and transparent reasoning reuse. We refer to our framework as Thought Template Augmented LCLMs (ToTAL).

Investigating NLP through a philosophical lens has recently caught researcher's eyes as it connects computational methods with classical schools of philosophy. This paper introduces a philosophical approach inspired by the Hegelian Dialectic for LLMs' self-reflection, utilizing a self-dialectical approach to emulate internal critiques and then synthesize new ideas by resolving the contradicting points. Moreover, this paper investigates the effect of LLMs' temperature for generation by establishing a dynamic annealing approach, which promotes the creativity in the early stages and gradually refines it by focusing on the nuances, as well as a fixed temperature strategy for generation. Our proposed approach is examined to determine its ability to generate novel ideas from an initial proposition. Additionally, a Multi Agent Majority Voting (MAMV) strategy is leveraged to assess the validity and novelty of the generated ideas, which proves beneficial in the absence of domain experts. Our experiments show promise in generating new ideas and provide a stepping stone for future research.

We propose a novel application of prompting Pre-trained Language Models (PLMs) to generate analogies and study how to design effective prompts for two task settings: generating a source concept analogous to a given target concept (aka Analogous Concept Generation or ACG), and generating an explanation of the similarity between a given pair of target concept and source concept (aka Analogous Explanation Generation or AEG). We found that it is feasible to prompt InstructGPT to generate meaningful analogies and the best prompts tend to be precise imperative statements especially with a low temperature setting. We also systematically analyzed the sensitivity of the InstructGPT model to prompt design, temperature, and injected spelling errors, and found that the model is particularly sensitive to certain variations (e.g., questions vs. imperative statements). Further, we conducted human evaluation on 1.4k of the generated analogies and found that the quality of generations varies substantially by model size. The largest InstructGPT model can achieve human-level performance at generating meaningful analogies for a given target while there is still room for improvement on the AEG task.

Large language models (LLMs) are increasingly being used for complex research tasks such as literature review, idea generation, and scientific paper analysis, yet their ability to truly understand and process the intricate relationships within complex research papers, such as the logical links between claims and supporting evidence remains largely unexplored. In this study, we present CLAIM-BENCH, a comprehensive benchmark for evaluating LLMs' capabilities in scientific claim-evidence extraction and validation, a task that reflects deeper comprehension of scientific argumentation. We systematically compare three approaches which are inspired by divide and conquer approaches, across six diverse LLMs, highlighting model-specific strengths and weaknesses in scientific comprehension. Through evaluation involving over 300 claim-evidence pairs across multiple research domains, we reveal significant limitations in LLMs' ability to process complex scientific content. Our results demonstrate that closed-source models like GPT-4 and Claude consistently outperform open-source counterparts in precision and recall across claim-evidence identification tasks. Furthermore, strategically designed three-pass and one-by-one prompting approaches significantly improve LLMs' abilities to accurately link dispersed evidence with claims, although this comes at increased computational cost. CLAIM-BENCH sets a new standard for evaluating scientific comprehension in LLMs, offering both a diagnostic tool and a path forward for building systems capable of deeper, more reliable reasoning across full-length papers.

Judging the novelty of research ideas is crucial for advancing science, enabling the identification of unexplored directions, and ensuring contributions meaningfully extend existing knowledge rather than reiterate minor variations. However, given the exponential growth of scientific literature, manually judging the novelty of research ideas through literature reviews is labor-intensive, subjective, and infeasible at scale. Therefore, recent efforts have proposed automated approaches for research idea novelty judgment. Yet, evaluation of these approaches remains largely inconsistent and is typically based on non-standardized human evaluations, hindering large-scale, comparable evaluations. To address this, we introduce RINoBench, the first comprehensive benchmark for large-scale evaluation of research idea novelty judgments. It comprises 1,381 research ideas derived from and judged by human experts as well as nine automated evaluation metrics designed to assess both rubric-based novelty scores and textual justifications of novelty judgments. Using this benchmark, we evaluate several state-of-the-art large language models (LLMs) on their ability to judge the novelty of research ideas. Our findings reveal that while LLM-generated reasoning closely mirrors human rationales, this alignment does not reliably translate into accurate novelty judgments, which diverge significantly from human gold standard judgments - even among leading reasoning-capable models. Data and code available at: https://github.com/TimSchopf/RINoBench.

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and potentially accelerate biomedical discovery. In this paper, we present a comprehensive evaluation of LLMs as biomedical hypothesis generators. We construct a dataset of background-hypothesis pairs from biomedical literature, carefully partitioned into training, seen, and unseen test sets based on publication date to mitigate data contamination. Using this dataset, we assess the hypothesis generation capabilities of top-tier instructed models in zero-shot, few-shot, and fine-tuning settings. To enhance the exploration of uncertainty, a crucial aspect of scientific discovery, we incorporate tool use and multi-agent interactions in our evaluation framework. Furthermore, we propose four novel metrics grounded in extensive literature review to evaluate the quality of generated hypotheses, considering both LLM-based and human assessments. Our experiments yield two key findings: 1) LLMs can generate novel and validated hypotheses, even when tested on literature unseen during training, and 2) Increasing uncertainty through multi-agent interactions and tool use can facilitate diverse candidate generation and improve zero-shot hypothesis generation performance. However, we also observe that the integration of additional knowledge through few-shot learning and tool use may not always lead to performance gains, highlighting the need for careful consideration of the type and scope of external knowledge incorporated. These findings underscore the potential of LLMs as powerful aids in biomedical hypothesis generation and provide valuable insights to guide further research in this area.

While AI agents show potential in scientific ideation, most existing frameworks rely on single-agent refinement, limiting creativity due to bounded knowledge and perspective. Inspired by real-world research dynamics, this paper investigates whether structured multi-agent discussions can surpass solitary ideation. We propose a cooperative multi-agent framework for generating research proposals and systematically compare configurations including group size, leaderled versus leaderless structures, and team compositions varying in interdisciplinarity and seniority. To assess idea quality, we employ a comprehensive protocol with agent-based scoring and human review across dimensions such as novelty, strategic vision, and integration depth. Our results show that multi-agent discussions substantially outperform solitary baselines. A designated leader acts as a catalyst, transforming discussion into more integrated and visionary proposals. Notably, we find that cognitive diversity is a primary driver of quality, yet expertise is a non-negotiable prerequisite, as teams lacking a foundation of senior knowledge fail to surpass even a single competent agent. These findings offer actionable insights for designing collaborative AI ideation systems and shed light on how team structure influences creative outcomes.

Artificial intelligence (AI) systems, and Large Language Models (LLMs) in particular, are increasingly employed for creative tasks like scientific idea generation, constituting a form of generalization from training data unaddressed by existing conceptual frameworks. Despite its similarities to compositional generalization (CG), combinatorial creativity (CC) is an open-ended ability. Instead of evaluating for accuracy or correctness against fixed targets, which would contradict the open-ended nature of CC, we propose a theoretical framework and algorithmic task for evaluating outputs by their degrees of novelty and utility. From here, we make several important empirical contributions: (1) We obtain the first insights into the scaling behavior of creativity for LLMs. (2) We discover that, for fixed compute budgets, there exist optimal model depths and widths for creative ability. (3) We find that the ideation-execution gap, whereby LLMs excel at generating novel scientific ideas but struggle to ensure their practical feasibility, may be explained by a more fundamental novelty-utility tradeoff characteristic of creativity algorithms in general. Importantly, this tradeoff remains persistent even at scale, casting doubt on the long-term creative potential of LLMs in their current form. Together, our conceptual framework and empirical findings provide a foundation for understanding and improving creativity in modern AI models, bridging the gap between human and machine intelligence.

Access to the right evidence does not guarantee that large language models (LLMs) will reason with it correctly. This gap between retrieval and reasoning is especially concerning in clinical settings, where outputs must align with structured protocols. We study this gap using Written Exposure Therapy (WET) guidelines as a testbed. In evaluating model responses to curated clinician-vetted questions, we find that errors persist even when authoritative passages are provided. To address this, we propose an evaluation framework that measures accuracy, consistency, and fidelity of reasoning. Our results highlight both the potential and the risks: retrieval-augmented generation (RAG) can constrain outputs, but safe deployment requires assessing reasoning as rigorously as retrieval.

We consider the problem of automatically generating a narrative biomedical evidence summary from multiple trial reports. We evaluate modern neural models for abstractive summarization of relevant article abstracts from systematic reviews previously conducted by members of the Cochrane collaboration, using the authors conclusions section of the review abstract as our target. We enlist medical professionals to evaluate generated summaries, and we find that modern summarization systems yield consistently fluent and relevant synopses, but that they are not always factual. We propose new approaches that capitalize on domain-specific models to inform summarization, e.g., by explicitly demarcating snippets of inputs that convey key findings, and emphasizing the reports of large and high-quality trials. We find that these strategies modestly improve the factual accuracy of generated summaries. Finally, we propose a new method for automatically evaluating the factuality of generated narrative evidence syntheses using models that infer the directionality of reported findings.

This paper tackles open-ended deep research (OEDR), a complex challenge where AI agents must synthesize vast web-scale information into insightful reports. Current approaches are plagued by dual-fold limitations: static research pipelines that decouple planning from evidence acquisition and one-shot generation paradigms that easily suffer from long-context failure issues like "loss in the middle" and hallucinations. To address these challenges, we introduce WebWeaver, a novel dual-agent framework that emulates the human research process. The planner operates in a dynamic cycle, iteratively interleaving evidence acquisition with outline optimization to produce a comprehensive, source-grounded outline linking to a memory bank of evidence. The writer then executes a hierarchical retrieval and writing process, composing the report section by section. By performing targeted retrieval of only the necessary evidence from the memory bank for each part, it effectively mitigates long-context issues. Our framework establishes a new state-of-the-art across major OEDR benchmarks, including DeepResearch Bench, DeepConsult, and DeepResearchGym. These results validate our human-centric, iterative methodology, demonstrating that adaptive planning and focused synthesis are crucial for producing high-quality, reliable, and well-structured reports.

Recent advances in large language models have enabled deep research systems that generate expert-level reports through multi-step reasoning and evidence-based synthesis. However, evaluating such reports remains challenging: report quality is multifaceted, making it difficult to determine what to assess and by what criteria; LLM-based judges may miss errors that require domain expertise to identify; and because deep research relies on retrieved evidence, report-wide claim verification is also necessary. To address these issues, we propose DEER, a benchmark for evaluating expert-level deep research reports. DEER systematizes evaluation criteria with an expert-developed taxonomy (7 dimensions, 25 subdimensions) operationalized as 101 fine-grained rubric items. We also provide task-specific Expert Evaluation Guidance to support LLM-based judging. Alongside rubric-based assessment, we propose a claim verification architecture that verifies both cited and uncited claims and quantifies evidence quality. Experiments show that while current deep research systems can produce structurally plausible reports that cite external evidence, there is room for improvement in fulfilling expert-level user requests and achieving logical completeness. Beyond simple performance comparisons, DEER makes system strengths and limitations interpretable and provides diagnostic signals for improvement.

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of LLM-driven approaches, including symbolic frameworks, generative models, hybrid systems, and multi-agent architectures. We examine techniques such as retrieval-augmented generation, knowledge-graph completion, simulation, causal inference, and tool-assisted reasoning, highlighting trade-offs in interpretability, novelty, and domain alignment. We contrast early symbolic discovery systems (e.g., BACON, KEKADA) with modern LLM pipelines that leverage in-context learning and domain adaptation via fine-tuning, retrieval, and symbolic grounding. For validation, we review simulation, human-AI collaboration, causal modeling, and uncertainty quantification, emphasizing iterative assessment in open-world contexts. The survey maps datasets across biomedicine, materials science, environmental science, and social science, introducing new resources like AHTech and CSKG-600. Finally, we outline a roadmap emphasizing novelty-aware generation, multimodal-symbolic integration, human-in-the-loop systems, and ethical safeguards, positioning LLMs as agents for principled, scalable scientific discovery.

The application of Large Language Models (LLMs) in accelerating scientific discovery has garnered increasing attention, with a key focus on constructing research agents endowed with innovative capability, i.e., the ability to autonomously generate novel and significant research ideas. Existing approaches predominantly rely on sophisticated prompt engineering and lack a systematic training paradigm. To address this, we propose DeepInnovator, a training framework designed to trigger the innovative capability of LLMs. Our approach comprises two core components. (1) ``Standing on the shoulders of giants''. We construct an automated data extraction pipeline to extract and organize structured research knowledge from a vast corpus of unlabeled scientific literature. (2) ``Conjectures and refutations''. We introduce a ``Next Idea Prediction'' training paradigm, which models the generation of research ideas as an iterative process of continuously predicting, evaluating, and refining plausible and novel next idea. Both automatic and expert evaluations demonstrate that our DeepInnovator-14B significantly outperforms untrained baselines, achieving win rates of 80.53\%-93.81\%, and attains performance comparable to that of current leading LLMs. This work provides a scalable training pathway toward building research agents with genuine, originative innovative capability, and will open-source the dataset to foster community advancement. Source code and data are available at: https://github.com/HKUDS/DeepInnovator.

Scientific Research, vital for improving human life, is hindered by its inherent complexity, slow pace, and the need for specialized experts. To enhance its productivity, we propose a ResearchAgent, a large language model-powered research idea writing agent, which automatically generates problems, methods, and experiment designs while iteratively refining them based on scientific literature. Specifically, starting with a core paper as the primary focus to generate ideas, our ResearchAgent is augmented not only with relevant publications through connecting information over an academic graph but also entities retrieved from an entity-centric knowledge store based on their underlying concepts, mined and shared across numerous papers. In addition, mirroring the human approach to iteratively improving ideas with peer discussions, we leverage multiple ReviewingAgents that provide reviews and feedback iteratively. Further, they are instantiated with human preference-aligned large language models whose criteria for evaluation are derived from actual human judgments. We experimentally validate our ResearchAgent on scientific publications across multiple disciplines, showcasing its effectiveness in generating novel, clear, and valid research ideas based on human and model-based evaluation results.

Automated AI research holds great potential to accelerate scientific discovery. However, current LLMs often generate plausible-looking but ineffective ideas. Execution grounding may help, but it is unclear whether automated execution is feasible and whether LLMs can learn from the execution feedback. To investigate these, we first build an automated executor to implement ideas and launch large-scale parallel GPU experiments to verify their effectiveness. We then convert two realistic research problems - LLM pre-training and post-training - into execution environments and demonstrate that our automated executor can implement a large fraction of the ideas sampled from frontier LLMs. We analyze two methods to learn from the execution feedback: evolutionary search and reinforcement learning. Execution-guided evolutionary search is sample-efficient: it finds a method that significantly outperforms the GRPO baseline (69.4% vs 48.0%) on post-training, and finds a pre-training recipe that outperforms the nanoGPT baseline (19.7 minutes vs 35.9 minutes) on pre-training, all within just ten search epochs. Frontier LLMs often generate meaningful algorithmic ideas during search, but they tend to saturate early and only occasionally exhibit scaling trends. Reinforcement learning from execution reward, on the other hand, suffers from mode collapse. It successfully improves the average reward of the ideator model but not the upper-bound, due to models converging on simple ideas. We thoroughly analyze the executed ideas and training dynamics to facilitate future efforts towards execution-grounded automated AI research.

In an era of exponential scientific growth, identifying novel research ideas is crucial and challenging in academia. Despite potential, the lack of an appropriate benchmark dataset hinders the research of novelty detection. More importantly, simply adopting existing NLP technologies, e.g., retrieving and then cross-checking, is not a one-size-fits-all solution due to the gap between textual similarity and idea conception. In this paper, we propose to harness large language models (LLMs) for scientific novelty detection (ND), associated with two new datasets in marketing and NLP domains. To construct the considerate datasets for ND, we propose to extract closure sets of papers based on their relationship, and then summarize their main ideas based on LLMs. To capture idea conception, we propose to train a lightweight retriever by distilling the idea-level knowledge from LLMs to align ideas with similar conception, enabling efficient and accurate idea retrieval for LLM novelty detection. Experiments show our method consistently outperforms others on the proposed benchmark datasets for idea retrieval and ND tasks. Codes and data are available at https://anonymous.4open.science/r/NoveltyDetection-10FB/.

Generating high-quality stories spanning thousands of tokens requires competency across a variety of skills, from tracking plot and character arcs to keeping a consistent and engaging style. Due to the difficulty of sourcing labeled datasets and precise quality measurements, most work using large language models (LLMs) for long-form story generation uses combinations of hand-designed prompting techniques to elicit author-like behavior. This is a manual process that is highly dependent on the specific story-generation task. Motivated by the recent success of applying RL with Verifiable Rewards to domains like math and coding, we propose a general story-generation task (Next-Chapter Prediction) and a reward formulation (Verified Rewards via Completion Likelihood Improvement) that allows us to use an unlabeled book dataset as a learning signal for reasoning. We learn to reason over a story's condensed information and generate a detailed plan for the next chapter. Our reasoning is evaluated via the chapters it helps a story-generator create, and compared against non-trained and supervised finetuning (SFT) baselines. Pairwise human judgments reveal the chapters our learned reasoning produces are preferred across almost all metrics, and the effect is more pronounced in Scifi and Fantasy genres.

RAG (Retrieval-Augmented Generation) systems and web agents are increasingly evaluated on multi-hop deep search tasks, yet current practice suffers from two major limitations. First, most benchmarks leak the reasoning path in the question text, allowing models to follow surface cues rather than discover reasoning chains autonomously. Second, evaluation is typically reduced to a single pass rate, which collapses diverse behaviours into one score and obscures whether failures stem from inadequate search, poor knowledge use, or inappropriate refusal. To address these issues, we present WebDetective, a benchmark of hint-free multi-hop questions paired with a controlled Wikipedia sandbox that ensures full traceability of model actions, and a holistic evaluation framework that separates search sufficiency, knowledge utilisation, and refusal behaviour. Our evaluation of 25 state-of-the-art models reveals systematic weaknesses across all architectures: models struggle with knowledge utilisation despite having sufficient evidence and demonstrate near-absent appropriate refusal when evidence is lacking. These patterns expose a fundamental gap: today's systems excel at executing given reasoning paths but fail when required to discover them. We develop an agentic workflow, EvidenceLoop, that explicitly targets the challenges our benchmark identifies, incorporating verification loops and systematic evidence tracking that improve both search and synthesis capabilities. This baseline demonstrates that WebDetective's diagnostic framework can guide concrete architectural improvements, establishing our benchmark as a critical tool for developing genuinely autonomous reasoning systems rather than pattern-following agents.

Large language models (LLMs) have shown exceptional proficiency in natural language processing but often fall short of generating creative and original responses to open-ended questions. To enhance LLM creativity, our key insight is to emulate the human process of inducing collective creativity through engaging discussions with participants from diverse backgrounds and perspectives. To this end, we propose LLM Discussion, a three-phase discussion framework that facilitates vigorous and diverging idea exchanges and ensures convergence to creative answers. Moreover, we adopt a role-playing technique by assigning distinct roles to LLMs to combat the homogeneity of LLMs. We evaluate the efficacy of the proposed framework with the Alternative Uses Test, Similarities Test, Instances Test, and Scientific Creativity Test through both LLM evaluation and human study. Our proposed framework outperforms single-LLM approaches and existing multi-LLM frameworks across various creativity metrics.

How do we communicate with others to achieve our goals? We use our prior experience or advice from others, or construct a candidate utterance by predicting how it will be received. However, our experiences are limited and biased, and reasoning about potential outcomes can be difficult and cognitively challenging. In this paper, we explore how we can leverage Large Language Model (LLM) simulations to help us communicate better. We propose the Explore-Generate-Simulate (EGS) framework, which takes as input any scenario where an individual is communicating to an audience with a goal they want to achieve. EGS (1) explores the solution space by producing a diverse set of advice relevant to the scenario, (2) generates communication candidates conditioned on subsets of the advice, and (3) simulates the reactions from various audiences to determine both the best candidate and advice to use. We evaluate the framework on eight scenarios spanning the ten fundamental processes of interpersonal communication. For each scenario, we collect a dataset of human evaluations across candidates and baselines, and showcase that our framework's chosen candidate is preferred over popular generation mechanisms including Chain-of-Thought. We also find that audience simulations achieve reasonably high agreement with human raters across 5 of the 8 scenarios. Finally, we demonstrate the generality of our framework by applying it to real-world scenarios described by users on web forums. Through evaluations and demonstrations, we show that EGS enhances the effectiveness and outcomes of goal-oriented communication across a variety of situations, thus opening up new possibilities for the application of large language models in revolutionizing communication and decision-making processes.

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by improving data analysis, accelerating computation, and fostering novel idea generation. To further move towards the ultimate goal (i.e., automatic scientific research), in this paper, we propose Dolphin, the first closed-loop open-ended auto-research framework to further build the entire process of human scientific research. Dolphin can generate research ideas, perform experiments, and get feedback from experimental results to generate higher-quality ideas. More specifically, Dolphin first generates novel ideas based on relevant papers which are ranked by the topic and task attributes. Then, the codes are automatically generated and debugged with the exception-traceback-guided local code structure. Finally, Dolphin automatically analyzes the results of each idea and feeds the results back to the next round of idea generation. Experiments are conducted on the benchmark datasets of different topics and results show that Dolphin can generate novel ideas continuously and complete the experiment in a loop. We highlight that Dolphin can automatically propose methods that are comparable to the state-of-the-art in some tasks such as 2D image classification and 3D point classification.

We present Thinking with Generated Images, a novel paradigm that fundamentally transforms how large multimodal models (LMMs) engage with visual reasoning by enabling them to natively think across text and vision modalities through spontaneous generation of intermediate visual thinking steps. Current visual reasoning with LMMs is constrained to either processing fixed user-provided images or reasoning solely through text-based chain-of-thought (CoT). Thinking with Generated Images unlocks a new dimension of cognitive capability where models can actively construct intermediate visual thoughts, critique their own visual hypotheses, and refine them as integral components of their reasoning process. We demonstrate the effectiveness of our approach through two complementary mechanisms: (1) vision generation with intermediate visual subgoals, where models decompose complex visual tasks into manageable components that are generated and integrated progressively, and (2) vision generation with self-critique, where models generate an initial visual hypothesis, analyze its shortcomings through textual reasoning, and produce refined outputs based on their own critiques. Our experiments on vision generation benchmarks show substantial improvements over baseline approaches, with our models achieving up to 50% (from 38% to 57%) relative improvement in handling complex multi-object scenarios. From biochemists exploring novel protein structures, and architects iterating on spatial designs, to forensic analysts reconstructing crime scenes, and basketball players envisioning strategic plays, our approach enables AI models to engage in the kind of visual imagination and iterative refinement that characterizes human creative, analytical, and strategic thinking. We release our open-source suite at https://github.com/GAIR-NLP/thinking-with-generated-images.

Creativity evaluation remains a challenging frontier for large language models (LLMs). Current evaluations heavily rely on inefficient and costly human judgments, hindering progress in enhancing machine creativity. While automated methods exist, ranging from psychological testing to heuristic- or prompting-based approaches, they often lack generalizability or alignment with human judgment. To address these issues, in this paper, we propose a novel pairwise-comparison framework for assessing textual creativity, leveraging shared contextual instructions to improve evaluation consistency. We introduce CreataSet, a large-scale dataset with 100K+ human-level and 1M+ synthetic creative instruction-response pairs spanning diverse open-domain tasks. Through training on CreataSet, we develop an LLM-based evaluator named CrEval. CrEval demonstrates remarkable superiority over existing methods in alignment with human judgments. Experimental results underscore the indispensable significance of integrating both human-generated and synthetic data in training highly robust evaluators, and showcase the practical utility of CrEval in boosting the creativity of LLMs. We will release all data, code, and models publicly soon to support further research.

"An idea is nothing more nor less than a new combination of old elements" (Young, J.W.). The widespread adoption of Large Language Models (LLMs) and publicly available ChatGPT have marked a significant turning point in the integration of Artificial Intelligence (AI) into people's everyday lives. This study explores the capability of LLMs in generating novel research ideas based on information from research papers. We conduct a thorough examination of 4 LLMs in five domains (e.g., Chemistry, Computer, Economics, Medical, and Physics). We found that the future research ideas generated by Claude-2 and GPT-4 are more aligned with the author's perspective than GPT-3.5 and Gemini. We also found that Claude-2 generates more diverse future research ideas than GPT-4, GPT-3.5, and Gemini 1.0. We further performed a human evaluation of the novelty, relevancy, and feasibility of the generated future research ideas. This investigation offers insights into the evolving role of LLMs in idea generation, highlighting both its capability and limitations. Our work contributes to the ongoing efforts in evaluating and utilizing language models for generating future research ideas. We make our datasets and codes publicly available.

While generative models have become powerful tools for image synthesis, they are typically optimized for executing carefully crafted textual prompts, offering limited support for the open-ended visual exploration that often precedes idea formation. In contrast, designers frequently draw inspiration from loosely connected visual references, seeking emergent connections that spark new ideas. We propose Inspiration Seeds, a generative framework that shifts image generation from final execution to exploratory ideation. Given two input images, our model produces diverse, visually coherent compositions that reveal latent relationships between inputs, without relying on user-specified text prompts. Our approach is feed-forward, trained on synthetic triplets of decomposed visual aspects derived entirely through visual means: we use CLIP Sparse Autoencoders to extract editing directions in CLIP latent space and isolate concept pairs. By removing the reliance on language and enabling fast, intuitive recombination, our method supports visual ideation at the early and ambiguous stages of creative work.

Evaluating whether multimodal large language models truly understand long-form scientific papers remains challenging: answer-only metrics and synthetic "Needle-In-A-Haystack" tests often reward answer matching without requiring a causal, evidence-linked reasoning trace in the document. We propose the "Fish-in-the-Ocean" (FITO) paradigm, which requires models to construct explicit cross-modal evidence chains within native scientific documents. To operationalize FITO, we build SIN-Data, a scientific interleaved corpus that preserves the native interleaving of text and figures. On top of it, we construct SIN-Bench with four progressive tasks covering evidence discovery (SIN-Find), hypothesis verification (SIN-Verify), grounded QA (SIN-QA), and evidence-anchored synthesis (SIN-Summary). We further introduce "No Evidence, No Score", scoring predictions when grounded to verifiable anchors and diagnosing evidence quality via matching, relevance, and logic. Experiments on eight MLLMs show that grounding is the primary bottleneck: Gemini-3-pro achieves the best average overall score (0.573), while GPT-5 attains the highest SIN-QA answer accuracy (0.767) but underperforms on evidence-aligned overall scores, exposing a gap between correctness and traceable support.

While Retrieval-Augmented Generation (RAG) mitigates hallucination and knowledge staleness in Large Language Models (LLMs), existing frameworks often falter on complex, multi-hop queries that require synthesizing information from disparate sources. Current advanced RAG methods, employing iterative or adaptive strategies, lack a robust mechanism to systematically identify and fill evidence gaps, often propagating noise or failing to gather a comprehensive context. We introduce FAIR-RAG, a novel agentic framework that transforms the standard RAG pipeline into a dynamic, evidence-driven reasoning process. At its core is an Iterative Refinement Cycle governed by a module we term Structured Evidence Assessment (SEA). The SEA acts as an analytical gating mechanism: it deconstructs the initial query into a checklist of required findings and audits the aggregated evidence to identify confirmed facts and, critically, explicit informational gaps. These gaps provide a precise signal to an Adaptive Query Refinement agent, which generates new, targeted sub-queries to retrieve missing information. This cycle repeats until the evidence is verified as sufficient, ensuring a comprehensive context for a final, strictly faithful generation. We conducted experiments on challenging multi-hop QA benchmarks, including HotpotQA, 2WikiMultiHopQA, and MusiQue. In a unified experimental setup, FAIR-RAG significantly outperforms strong baselines. On HotpotQA, it achieves an F1-score of 0.453 -- an absolute improvement of 8.3 points over the strongest iterative baseline -- establishing a new state-of-the-art for this class of methods on these benchmarks. Our work demonstrates that a structured, evidence-driven refinement process with explicit gap analysis is crucial for unlocking reliable and accurate reasoning in advanced RAG systems for complex, knowledge-intensive tasks.

Creative generation is the synthesis of new, surprising, and valuable samples that reflect user intent yet cannot be envisioned in advance. This task aims to extend human imagination, enabling the discovery of visual concepts that exist in the unexplored spaces between familiar domains. While text-to-image diffusion models excel at rendering photorealistic scenes that faithfully match user prompts, they still struggle to generate genuinely novel content. Existing approaches to enhance generative creativity either rely on interpolation of image features, which restricts exploration to predefined categories, or require time-intensive procedures such as embedding optimization or model fine-tuning. We propose VLM-Guided Adaptive Negative-Prompting, a training-free, inference-time method that promotes creative image generation while preserving the validity of the generated object. Our approach utilizes a vision-language model (VLM) that analyzes intermediate outputs of the generation process and adaptively steers it away from conventional visual concepts, encouraging the emergence of novel and surprising outputs. We evaluate creativity through both novelty and validity, using statistical metrics in the CLIP embedding space. Through extensive experiments, we show consistent gains in creative novelty with negligible computational overhead. Moreover, unlike existing methods that primarily generate single objects, our approach extends to complex scenarios, such as generating coherent sets of creative objects and preserving creativity within elaborate compositional prompts. Our method integrates seamlessly into existing diffusion pipelines, offering a practical route to producing creative outputs that venture beyond the constraints of textual descriptions.

Creative image generation has emerged as a compelling area of research, driven by the need to produce novel and high-quality images that expand the boundaries of imagination. In this work, we propose a novel framework for creative generation using diffusion models, where creativity is associated with the inverse probability of an image's existence in the CLIP embedding space. Unlike prior approaches that rely on a manual blending of concepts or exclusion of subcategories, our method calculates the probability distribution of generated images and drives it towards low-probability regions to produce rare, imaginative, and visually captivating outputs. We also introduce pullback mechanisms, achieving high creativity without sacrificing visual fidelity. Extensive experiments on text-to-image diffusion models demonstrate the effectiveness and efficiency of our creative generation framework, showcasing its ability to produce unique, novel, and thought-provoking images. This work provides a new perspective on creativity in generative models, offering a principled method to foster innovation in visual content synthesis.

Synthesizing clinical evidence largely relies on systematic reviews of clinical trials and retrospective analyses from medical literature. However, the rapid expansion of publications presents challenges in efficiently identifying, summarizing, and updating clinical evidence. Here, we introduce TrialMind, a generative artificial intelligence (AI) pipeline for facilitating human-AI collaboration in three crucial tasks for evidence synthesis: study search, screening, and data extraction. To assess its performance, we chose published systematic reviews to build the benchmark dataset, named TrialReviewBench, which contains 100 systematic reviews and the associated 2,220 clinical studies. Our results show that TrialMind excels across all three tasks. In study search, it generates diverse and comprehensive search queries to achieve high recall rates (Ours 0.711-0.834 v.s. Human baseline 0.138-0.232). For study screening, TrialMind surpasses traditional embedding-based methods by 30% to 160%. In data extraction, it outperforms a GPT-4 baseline by 29.6% to 61.5%. We further conducted user studies to confirm its practical utility. Compared to manual efforts, human-AI collaboration using TrialMind yielded a 71.4% recall lift and 44.2% time savings in study screening and a 23.5% accuracy lift and 63.4% time savings in data extraction. Additionally, when comparing synthesized clinical evidence presented in forest plots, medical experts favored TrialMind's outputs over GPT-4's outputs in 62.5% to 100% of cases. These findings show the promise of LLM-based approaches like TrialMind to accelerate clinical evidence synthesis via streamlining study search, screening, and data extraction from medical literature, with exceptional performance improvement when working with human experts.

Deep research agents, powered by Large Language Models (LLMs), are rapidly advancing; yet, their performance often plateaus when generating complex, long-form research reports using generic test-time scaling algorithms. Drawing inspiration from the iterative nature of human research, which involves cycles of searching, reasoning, and revision, we propose the Test-Time Diffusion Deep Researcher (TTD-DR). This novel framework conceptualizes research report generation as a diffusion process. TTD-DR initiates this process with a preliminary draft, an updatable skeleton that serves as an evolving foundation to guide the research direction. The draft is then iteratively refined through a "denoising" process, which is dynamically informed by a retrieval mechanism that incorporates external information at each step. The core process is further enhanced by a self-evolutionary algorithm applied to each component of the agentic workflow, ensuring the generation of high-quality context for the diffusion process. This draft-centric design makes the report writing process more timely and coherent while reducing information loss during the iterative search process. We demonstrate that our TTD-DR achieves state-of-the-art results on a wide array of benchmarks that require intensive search and multi-hop reasoning, significantly outperforming existing deep research agents.

Research on emergent patterns in Large Language Models (LLMs) has gained significant traction in both psychology and artificial intelligence, motivating the need for a comprehensive review that offers a synthesis of this complex landscape. In this article, we systematically review LLMs' capabilities across three important cognitive domains: decision-making biases, reasoning, and creativity. We use empirical studies drawing on established psychological tests and compare LLMs' performance to human benchmarks. On decision-making, our synthesis reveals that while LLMs demonstrate several human-like biases, some biases observed in humans are absent, indicating cognitive patterns that only partially align with human decision-making. On reasoning, advanced LLMs like GPT-4 exhibit deliberative reasoning akin to human System-2 thinking, while smaller models fall short of human-level performance. A distinct dichotomy emerges in creativity: while LLMs excel in language-based creative tasks, such as storytelling, they struggle with divergent thinking tasks that require real-world context. Nonetheless, studies suggest that LLMs hold considerable potential as collaborators, augmenting creativity in human-machine problem-solving settings. Discussing key limitations, we also offer guidance for future research in areas such as memory, attention, and open-source model development.

Generative Reward Models (GenRMs) and LLM-as-a-Judge exhibit deceptive alignment by producing correct judgments for incorrect reasons, as they are trained and evaluated to prioritize Outcome Accuracy, which undermines their ability to generalize during RLHF. We introduce Rationale Consistency, a fine-grained metric that quantifies the alignment between the model's reasoning process and human judgment. Our evaluation of frontier models reveals that rationale consistency effectively discriminates among state-of-the-art models and detects deceptive alignment, while outcome accuracy falls short in both respects. To mitigate this gap, we introduce a hybrid signal that combines rationale consistency with outcome accuracy for GenRM training. Our training method achieves state-of-the-art performance on RM-Bench (87.1%) and JudgeBench (82%), surpassing outcome-only baselines by an average of 5%. Using RM during RLHF, our method effectively improves performance as demonstrated on Arena Hard v2, notably yielding a 7% improvement in creative writing tasks. Further analysis confirms that our method escapes the deceptive alignment trap, effectively reversing the decline in rationale consistency observed in outcome-only training.

Large Reasoning Models (LRMs) have significantly enhanced their capabilities in complex problem-solving by introducing a thinking draft that enables multi-path Chain-of-Thought explorations before producing final answers. Ensuring the faithfulness of these intermediate reasoning processes is crucial for reliable monitoring, interpretation, and effective control. In this paper, we propose a systematic counterfactual intervention framework to rigorously evaluate thinking draft faithfulness. Our approach focuses on two complementary dimensions: (1) Intra-Draft Faithfulness, which assesses whether individual reasoning steps causally influence subsequent steps and the final draft conclusion through counterfactual step insertions; and (2) Draft-to-Answer Faithfulness, which evaluates whether final answers are logically consistent with and dependent on the thinking draft, by perturbing the draft's concluding logic. We conduct extensive experiments across six state-of-the-art LRMs. Our findings show that current LRMs demonstrate selective faithfulness to intermediate reasoning steps and frequently fail to faithfully align with the draft conclusions. These results underscore the need for more faithful and interpretable reasoning in advanced LRMs.

Large Language Models (LLMs) have revolutionized natural language processing but can exhibit biases and may generate toxic content. While alignment techniques like Reinforcement Learning from Human Feedback (RLHF) reduce these issues, their impact on creativity, defined as syntactic and semantic diversity, remains unexplored. We investigate the unintended consequences of RLHF on the creativity of LLMs through three experiments focusing on the Llama-2 series. Our findings reveal that aligned models exhibit lower entropy in token predictions, form distinct clusters in the embedding space, and gravitate towards "attractor states", indicating limited output diversity. Our findings have significant implications for marketers who rely on LLMs for creative tasks such as copywriting, ad creation, and customer persona generation. The trade-off between consistency and creativity in aligned models should be carefully considered when selecting the appropriate model for a given application. We also discuss the importance of prompt engineering in harnessing the creative potential of base models.

While AI innovation accelerates rapidly, the intellectual process behind breakthroughs -- how researchers identify gaps, synthesize prior work, and generate insights -- remains poorly understood. The lack of structured data on scientific reasoning hinders systematic analysis and development of AI research agents. We introduce Sci-Reasoning, the first dataset capturing the intellectual synthesis behind high-quality AI research. Using community-validated quality signals and an LLM-accelerated, human-verified pipeline, we trace Oral and Spotlight papers across NeurIPS, ICML, and ICLR (2023-2025) to its key predecessors, articulating specific reasoning links in a structured format. Our analysis identifies 15 distinct thinking patterns, with three dominant strategies accounting for 52.7%: Gap-Driven Reframing (24.2%), Cross-Domain Synthesis (18.0%), and Representation Shift (10.5%). The most powerful innovation recipes combine multiple patterns: Gap-Driven Reframing + Representation Shift, Cross-Domain Synthesis + Representation Shift, and Gap-Driven Reframing + Cross-Domain Synthesis. This dataset enables quantitative studies of scientific progress and provides structured reasoning trajectories for training the next generation AI research agents.

Large Language Models (LLMs) excel at many tasks, yet they struggle to produce truly creative, diverse ideas. In this paper, we introduce a novel approach that enhances LLM creativity. We apply LLMs for translating between natural language and structured representations, and perform the core creative leap via cognitively inspired manipulations on these representations. Our notion of creativity goes beyond superficial token-level variations; rather, we recombine structured representations of existing ideas, enabling our system to effectively explore a more abstract landscape of ideas. We demonstrate our approach in the culinary domain with DishCOVER, a model that generates creative recipes. Experiments and domain-expert evaluations reveal that our outputs, which are mostly coherent and feasible, significantly surpass GPT-4o in terms of novelty and diversity, thus outperforming it in creative generation. We hope our work inspires further research into structured creativity in AI.

When prompted with a few examples and intermediate steps, large language models (LLMs) have demonstrated impressive performance in various reasoning tasks. However, prompting methods that rely on implicit knowledge in an LLM often generate incorrect answers when the implicit knowledge is wrong or inconsistent with the task. To tackle this problem, we present Hypotheses-to-Theories (HtT), a framework that learns a rule library for reasoning with LLMs. HtT contains two stages, an induction stage and a deduction stage. In the induction stage, an LLM is first asked to generate and verify rules over a set of training examples. Rules that appear and lead to correct answers sufficiently often are collected to form a rule library. In the deduction stage, the LLM is then prompted to employ the learned rule library to perform reasoning to answer test questions. Experiments on relational reasoning, numerical reasoning and concept learning problems show that HtT improves existing prompting methods, with an absolute gain of 10-30% in accuracy. The learned rules are also transferable to different models and to different forms of the same problem.

Despite strong performance on existing benchmarks, it remains unclear whether large language models can reason over genuinely novel scientific information. Most evaluations score end-to-end RAG pipelines, where reasoning is confounded with retrieval and toolchain choices, and the signal is further contaminated by parametric memorization and open-web volatility. We introduce DeR2, a controlled deep-research sandbox that isolates document-grounded reasoning while preserving core difficulties of deep search: multi-step synthesis, denoising, and evidence-based conclusion making. DeR2 decouples evidence access from reasoning via four regimes--Instruction-only, Concepts (gold concepts without documents), Related-only (only relevant documents), and Full-set (relevant documents plus topically related distractors)--yielding interpretable regime gaps that operationalize retrieval loss vs. reasoning loss and enable fine-grained error attribution. To prevent parametric leakage, we apply a two-phase validation that requires parametric failure without evidence while ensuring oracle-concept solvability. To ensure reproducibility, each instance provides a frozen document library (drawn from 2023-2025 theoretical papers) with expert-annotated concepts and validated rationales. Experiments across a diverse set of state-of-the-art foundation models reveal substantial variation and significant headroom: some models exhibit mode-switch fragility, performing worse with the Full-set than with Instruction-only, while others show structural concept misuse, correctly naming concepts but failing to execute them as procedures.

Most existing chain-of-thought (CoT) prompting methods suffer from the issues of generalizability and consistency, as they often rely on instance-specific solutions that may not be applicable to other cases and lack task-level consistency in their reasoning steps. To address these limitations, we propose a comprehensive framework, StrategyLLM, harnessing the capabilities of LLMs to construct generalizable and consistent few-shot prompts for various tasks automatically. To this end, StrategyLLM employs four LLM-based agents: strategy generator, executor, optimizer, and evaluator, working together to generate, evaluate, and select promising strategies for a given task. The experimental results demonstrate that StrategyLLM outperforms the competitive baseline CoT-SC that requires human-annotated solutions on 13 datasets across 4 challenging tasks without human involvement, including math reasoning (34.21% rightarrow 38.79%), commonsense reasoning (70.3% rightarrow 72.5%), algorithmic reasoning (51.7% rightarrow 62.0%), and symbolic reasoning (30.0% rightarrow 79.2%).

As AI tools become increasingly common for research ideation, robust evaluation is critical to ensure the validity and usefulness of generated ideas. We introduce ScholarEval, a retrieval augmented evaluation framework that assesses research ideas based on two fundamental criteria: soundness - the empirical validity of proposed methods based on existing literature, and contribution - the degree of advancement made by the idea across different dimensions relative to prior research. To evaluate ScholarEval, we introduce ScholarIdeas, the first expert-annotated dataset of multi-domain research ideas and reviews, comprised of 117 ideas across four disciplines: artificial intelligence, neuroscience, biochemistry, and ecology. Our evaluation shows that ScholarEval achieves significantly higher coverage of points mentioned in the human expert annotated rubrics in ScholarIdeas compared to all baselines. Furthermore, ScholarEval is consistently preferred over our strongest baseline o4-mini-deep-research, a reasoning and search-enabled agentic system by OpenAI, in terms of evaluation actionability, depth, and evidence support. Our large-scale user study also shows that ScholarEval significantly outperforms deep research in literature engagement, idea refinement, and usefulness. We openly release our code, dataset, and ScholarEval tool for the community to use and build on.

Large language models (LLMs) have shown significant potential in scientific disciplines such as biomedicine, particularly in hypothesis generation, where they can analyze vast literature, identify patterns, and suggest research directions. However, a key challenge lies in evaluating the truthfulness of generated hypotheses, as verifying their accuracy often requires substantial time and resources. Additionally, the hallucination problem in LLMs can lead to the generation of hypotheses that appear plausible but are ultimately incorrect, undermining their reliability. To facilitate the systematic study of these challenges, we introduce TruthHypo, a benchmark for assessing the capabilities of LLMs in generating truthful biomedical hypotheses, and KnowHD, a knowledge-based hallucination detector to evaluate how well hypotheses are grounded in existing knowledge. Our results show that LLMs struggle to generate truthful hypotheses. By analyzing hallucinations in reasoning steps, we demonstrate that the groundedness scores provided by KnowHD serve as an effective metric for filtering truthful hypotheses from the diverse outputs of LLMs. Human evaluations further validate the utility of KnowHD in identifying truthful hypotheses and accelerating scientific discovery. Our data and source code are available at https://github.com/Teddy-XiongGZ/TruthHypo.

Certain statistical models are capable of interpreting input strings as instructions, or prompts, and carry out tasks based on them. Many approaches to prompting and pre-training these models involve the automated generation of these prompts. We call these approaches meta-prompting, or prompting to obtain prompts. We propose a theoretical framework based on category theory to generalize and describe them. This framework is flexible enough to account for LLM stochasticity; and allows us to obtain formal results around task agnosticity and equivalence of various meta-prompting approaches. We experiment with meta-prompting in two active areas of model research: creativity and ideation. We find that user preference favors (p < 0.01) the prompts generated under meta-prompting, as well as their corresponding outputs, over a series of hardcoded baseline prompts that include the original task prompt. Using our framework, we argue that meta-prompting is more effective than basic prompting at generating desirable outputs.

Large language models (LLMs) have demonstrated potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we introduce the first large-scale benchmark for evaluating LLMs with a near-sufficient set of sub-tasks of scientific discovery: inspiration retrieval, hypothesis composition, and hypothesis ranking. We develop an automated framework that extracts critical components - research questions, background surveys, inspirations, and hypotheses - from scientific papers across 12 disciplines, with expert validation confirming its accuracy. To prevent data contamination, we focus exclusively on papers published in 2024, ensuring minimal overlap with LLM pretraining data. Our evaluation reveals that LLMs perform well in retrieving inspirations, an out-of-distribution task, suggesting their ability to surface novel knowledge associations. This positions LLMs as "research hypothesis mines", capable of facilitating automated scientific discovery by generating innovative hypotheses at scale with minimal human intervention.

Recent developments, particularly OpenAI's O1 model, have demonstrated the remarkable potential of Large Language Models (LLMs) for complex reasoning tasks. Through analysis of O1's outputs and provided sample Chain-of-Thought (CoT) demonstrations, we observe that it approaches problem-solving in a distinctly human-like manner, systematically brainstorming ideas, testing hypotheses, verifying results, and planning comprehensive solutions. These sophisticated reasoning capabilities remain notably absent in other state-of-the-art language models. In this paper, we hypothesize that this performance gap stems from the limited availability of high-quality reasoning process data in current training sets. We demonstrate that by constructing a specialized dataset focused on explicit problem-solving workflows ("worked solutions"), we can elicit substantially improved planning capabilities from existing models. Additionally, we propose the Reasoning Enhancement Loop (REL), a method for generating synthetic worked solutions.

Finding evidence for human opinion and behavior at scale is a challenging task, often requiring an understanding of sophisticated thought patterns among vast online communities found on social media. For example, studying how gun ownership is related to the perception of Freedom, requires a retrieval system that can operate at scale over social media posts, while dealing with two key challenges: (1) identifying abstract concept instances, (2) which can be instantiated differently across different communities. To address these, we introduce ConceptCarve, an evidence retrieval framework that utilizes traditional retrievers and LLMs to dynamically characterize the search space during retrieval. Our experiments show that ConceptCarve surpasses traditional retrieval systems in finding evidence within a social media community. It also produces an interpretable representation of the evidence for that community, which we use to qualitatively analyze complex thought patterns that manifest differently across the communities.

There has been a surge of interest in harnessing the reasoning capabilities of Large Language Models (LLMs) to accelerate scientific discovery. While existing approaches rely on grounding the discovery process within the relevant literature, effectiveness varies significantly with the quality and nature of the retrieved literature. We address the challenge of retrieving prior work whose concepts can inspire solutions for a given research problem, a task we define as Methodology Inspiration Retrieval (MIR). We construct a novel dataset tailored for training and evaluating retrievers on MIR, and establish baselines. To address MIR, we build the Methodology Adjacency Graph (MAG); capturing methodological lineage through citation relationships. We leverage MAG to embed an "intuitive prior" into dense retrievers for identifying patterns of methodological inspiration beyond superficial semantic similarity. This achieves significant gains of +5.4 in Recall@3 and +7.8 in Mean Average Precision (mAP) over strong baselines. Further, we adapt LLM-based re-ranking strategies to MIR, yielding additional improvements of +4.5 in Recall@3 and +4.8 in mAP. Through extensive ablation studies and qualitative analyses, we exhibit the promise of MIR in enhancing automated scientific discovery and outline avenues for advancing inspiration-driven retrieval.

With the exponential growth of research facilitated by modern technology and improved accessibility, scientific discoveries have become increasingly fragmented within and across fields. This makes it challenging to assess the significance, novelty, incremental findings, and equivalent ideas between related works, particularly those from different research communities. Large language models (LLMs) have recently demonstrated strong quantitative and qualitative reasoning abilities, and multi-agent LLM debates have shown promise in handling complex reasoning tasks by exploring diverse perspectives and reasoning paths. Inspired by this, we introduce Tree-of-Debate (ToD), a framework which converts scientific papers into LLM personas that debate their respective novelties. To emphasize structured, critical reasoning rather than focusing solely on outcomes, ToD dynamically constructs a debate tree, enabling fine-grained analysis of independent novelty arguments within scholarly articles. Through experiments on scientific literature across various domains, evaluated by expert researchers, we demonstrate that ToD generates informative arguments, effectively contrasts papers, and supports researchers in their literature review.

Retrieval-augmented generation has gained significant attention due to its ability to integrate relevant external knowledge, enhancing the accuracy and reliability of the LLMs' responses. Most of the existing methods apply a dynamic multiple retrieval-generating process, to address multi-hop complex questions by decomposing them into sub-problems. However, these methods rely on an unidirectional forward reasoning paradigm, where errors from insufficient reasoning steps or inherent flaws in current retrieval systems are irreversible, potentially derailing the entire reasoning chain. For the first time, this work introduces Retroactive Retrieval-Augmented Generation (RetroRAG), a novel framework to build a retroactive reasoning paradigm. RetroRAG revises and updates the evidence, redirecting the reasoning chain to the correct direction. RetroRAG constructs an evidence-collation-discovery framework to search, generate, and refine credible evidence. It synthesizes inferential evidence related to the key entities in the question from the existing source knowledge and formulates search queries to uncover additional information. As new evidence is found, RetroRAG continually updates and organizes this information, enhancing its ability to locate further necessary evidence. Paired with an Answerer to generate and evaluate outputs, RetroRAG is capable of refining its reasoning process iteratively until a reliable answer is obtained. Empirical evaluations show that RetroRAG significantly outperforms existing methods.

LLMs are typically trained to answer user questions or follow instructions similarly to how human experts respond. However, in the standard alignment framework they lack the basic ability of explicit thinking before answering. Thinking is important for complex questions that require reasoning and planning -- but can be applied to any task. We propose a training method for equipping existing LLMs with such thinking abilities for general instruction following without use of additional human data. We achieve this by an iterative search and optimization procedure that explores the space of possible thought generations, allowing the model to learn how to think without direct supervision. For each instruction, the thought candidates are scored using a judge model to evaluate their responses only, and then optimized via preference optimization. We show that this procedure leads to superior performance on AlpacaEval and Arena-Hard, and shows gains from thinking on non-reasoning categories such as marketing, health and general knowledge, in addition to more traditional reasoning & problem-solving tasks.

Recently, slow-thinking reasoning systems, such as o1, have demonstrated remarkable capabilities in solving complex reasoning tasks. These systems typically engage in an extended thinking process before responding to a query, allowing them to generate more thorough, accurate, and well-reasoned solutions. These systems are primarily developed and maintained by industry, with their core techniques not publicly disclosed. In response, an increasing number of studies from the research community aim to explore the technical foundations underlying these powerful reasoning systems. Building on these prior efforts, this paper presents a reproduction report on implementing o1-like reasoning systems. We introduce an "imitate, explore, and self-improve" framework as our primary technical approach to train the reasoning model. In the initial phase, we use distilled long-form thought data to fine-tune the reasoning model, enabling it to invoke a slow-thinking mode. The model is then encouraged to explore challenging problems by generating multiple rollouts, which can result in increasingly more high-quality trajectories that lead to correct answers. Furthermore, the model undergoes self-improvement by iteratively refining its training dataset. To verify the effectiveness of this approach, we conduct extensive experiments on three challenging benchmarks. The experimental results demonstrate that our approach achieves competitive performance compared to industry-level reasoning systems on these benchmarks.

Language has long been conceived as an essential tool for human reasoning. The breakthrough of Large Language Models (LLMs) has sparked significant research interest in leveraging these models to tackle complex reasoning tasks. Researchers have moved beyond simple autoregressive token generation by introducing the concept of "thought" -- a sequence of tokens representing intermediate steps in the reasoning process. This innovative paradigm enables LLMs' to mimic complex human reasoning processes, such as tree search and reflective thinking. Recently, an emerging trend of learning to reason has applied reinforcement learning (RL) to train LLMs to master reasoning processes. This approach enables the automatic generation of high-quality reasoning trajectories through trial-and-error search algorithms, significantly expanding LLMs' reasoning capacity by providing substantially more training data. Furthermore, recent studies demonstrate that encouraging LLMs to "think" with more tokens during test-time inference can further significantly boost reasoning accuracy. Therefore, the train-time and test-time scaling combined to show a new research frontier -- a path toward Large Reasoning Model. The introduction of OpenAI's o1 series marks a significant milestone in this research direction. In this survey, we present a comprehensive review of recent progress in LLM reasoning. We begin by introducing the foundational background of LLMs and then explore the key technical components driving the development of large reasoning models, with a focus on automated data construction, learning-to-reason techniques, and test-time scaling. We also analyze popular open-source projects at building large reasoning models, and conclude with open challenges and future research directions.

Machine learning research, crucial for technological advancements and innovation, often faces significant challenges due to its inherent complexity, slow pace of experimentation, and the necessity for specialized expertise. Motivated by this, we present a new systematic framework, autonomous Machine Learning Research with large language models (MLR-Copilot), designed to enhance machine learning research productivity through the automatic generation and implementation of research ideas using Large Language Model (LLM) agents. The framework consists of three phases: research idea generation, experiment implementation, and implementation execution. First, existing research papers are used to generate hypotheses and experimental plans vis IdeaAgent powered by LLMs. Next, the implementation generation phase translates these plans into executables with ExperimentAgent. This phase leverages retrieved prototype code and optionally retrieves candidate models and data. Finally, the execution phase, also managed by ExperimentAgent, involves running experiments with mechanisms for human feedback and iterative debugging to enhance the likelihood of achieving executable research outcomes. We evaluate our framework on five machine learning research tasks and the experimental results show the framework's potential to facilitate the research progress and innovations.

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

Thinking aloud is an effective meta-cognitive strategy human reasoners apply to solve difficult problems. We suggest to improve the reasoning ability of pre-trained neural language models in a similar way, namely by expanding a task's context with problem elaborations that are dynamically generated by the language model itself. Our main result is that dynamic problem elaboration significantly improves the zero-shot performance of GPT-2 in a deductive reasoning and natural language inference task: While the model uses a syntactic heuristic for predicting an answer, it is capable (to some degree) of generating reasoned additional context which facilitates the successful application of its heuristic. We explore different ways of generating elaborations, including fewshot learning, and find that their relative performance varies with the specific problem characteristics (such as problem difficulty). Moreover, the effectiveness of an elaboration can be explained in terms of the degree to which the elaboration semantically coheres with the corresponding problem. In particular, elaborations that are most faithful to the original problem description may boost accuracy by up to 24%.

We introduce Diagram of Thought (DoT), a framework that models iterative reasoning in large language models (LLMs) as the construction of a directed acyclic graph (DAG) within a single model. Unlike traditional approaches that represent reasoning as linear chains or trees, DoT organizes propositions, critiques, refinements, and verifications into a cohesive DAG structure, allowing the model to explore complex reasoning pathways while maintaining logical consistency. Each node in the diagram corresponds to a proposition that has been proposed, critiqued, refined, or verified, enabling the LLM to iteratively improve its reasoning through natural language feedback. By leveraging auto-regressive next-token prediction with role-specific tokens, DoT facilitates seamless transitions between proposing ideas and critically evaluating them, providing richer feedback than binary signals. Furthermore, we formalize the DoT framework using Topos Theory, providing a mathematical foundation that ensures logical consistency and soundness in the reasoning process. This approach enhances both the training and inference processes within a single LLM, eliminating the need for multiple models or external control mechanisms. DoT offers a conceptual framework for designing next-generation reasoning-specialized models, emphasizing training efficiency, robust reasoning capabilities, and theoretical grounding. The code is available at https://github.com/diagram-of-thought/diagram-of-thought.

Why do thinking language models like DeepSeek R1 outperform their base counterparts? Despite consistent performance gains, it remains unclear to what extent thinking models learn entirely new reasoning capabilities or repurpose pre-existing base model ones. In this work, we propose a hybrid model where we activate reasoning mechanisms in base models at the right time to elicit thinking-model-level reasoning chains, implying that thinking models exploit already existing capabilities. To ground our analysis, we introduce an unsupervised, bottom-up approach for uncovering human-interpretable reasoning behaviors in thinking models. This approach provides an unbiased method to discover reasoning behaviors without imposing manual or LLM-derived assumptions. Across three base and four thinking models, using GSM8K and MATH500, our hybrid model recovers up to 91% of the performance gap to thinking models without any weight updates while steering only 12% of tokens. Concretely, our empirical setup provides a simple, causal way to test the effectiveness of existing reasoning mechanisms in base models by invoking them directly and measuring the resulting task performance. More broadly, these results reframe our understanding of how thinking models are trained: pre-training is when models acquire most of their reasoning mechanisms, and post-training teaches efficient deployment of these mechanisms at the right time, enabling efficient use of their inference-time compute.

While Chain-of-Thought (CoT) prompting enables sophisticated symbolic reasoning in LLMs, it remains confined to discrete text and cannot simulate the continuous, physics-governed dynamics of the real world. Recent video generation models have emerged as potential world simulators through Chain-of-Frames (CoF) reasoning -- materializing thought as frame-by-frame visual sequences, with each frame representing a physically-grounded reasoning step. Despite compelling demonstrations, a challenge persists: existing benchmarks, focusing on fidelity or alignment, do not assess CoF reasoning and thus cannot measure core cognitive abilities in multi-step planning, algorithmic logic, or abstract pattern extrapolation. This evaluation void prevents systematic understanding of model capabilities and principled guidance for improvement. We introduce Gen-ViRe (Generative Visual Reasoning Benchmark), a framework grounded in cognitive science and real-world AI applications, which decomposes CoF reasoning into six cognitive dimensions -- from perceptual logic to abstract planning -- and 24 subtasks. Through multi-source data curation, minimal prompting protocols, and hybrid VLM-assisted evaluation with detailed criteria, Gen-ViRe delivers the first quantitative assessment of video models as reasoners. Our experiments on SOTA systems reveal substantial discrepancies between impressive visual quality and actual reasoning depth, establishing baselines and diagnostic tools to advance genuine world simulators.

Despite their outstanding capabilities, large language models (LLMs) are prone to hallucination and producing factually incorrect information. This challenge has spurred efforts in attributed text generation, which prompts LLMs to generate content with supporting evidence. In this paper, we propose a novel framework, called Think&Cite, and formulate attributed text generation as a multi-step reasoning problem integrated with search. Specifically, we propose Self-Guided Monte Carlo Tree Search (SG-MCTS), which capitalizes on the self-reflection capability of LLMs to reflect on the intermediate states of MCTS for guiding the tree expansion process. To provide reliable and comprehensive feedback, we introduce Progress Reward Models to measure the progress of tree search from the root to the current state from two aspects, i.e., generation and attribution progress. We conduct extensive experiments on three datasets and the results show that our approach significantly outperforms baseline approaches.

While large language models (LLMs) have been thoroughly evaluated for deductive and inductive reasoning, their proficiency in abductive reasoning and holistic rule learning in interactive environments remains less explored. This work introduces RULEARN, a novel benchmark specifically designed to assess the rule-learning ability of LLMs in interactive settings. In RULEARN, agents interact with the environment to gather observations and discern patterns, using these insights to solve problems. To further enhance the rule-learning capabilities of LLM agents within this benchmark, we propose IDEA agent, which integrates Induction, Deduction, and Abduction processes. IDEA agent refines this approach by leveraging a structured reasoning sequence: generating hypotheses through abduction, testing them via deduction, and refining them based on feedback from induction. This sequence enables agents to dynamically establish and apply rules, mimicking human-like reasoning processes. Our evaluation of five representative LLMs indicates that while these models can generate plausible initial hypotheses, they often struggle with strategic interaction within the environment, effective incorporation of feedback, and adaptive refinement of their hypotheses. IDEA agent demonstrates significantly improved performance on the RULEARN benchmark, offering valuable insights for the development of agents capable of human-like rule-learning in real-world scenarios. We will release our code and data.

We automate deep step-by step reasoning in an LLM dialog thread by recursively exploring alternatives (OR-nodes) and expanding details (AND-nodes) up to a given depth. Starting from a single succinct task-specific initiator we steer the automated dialog thread to stay focussed on the task by synthesizing a prompt that summarizes the depth-first steps taken so far. Our algorithm is derived from a simple recursive descent implementation of a Horn Clause interpreter, except that we accommodate our logic engine to fit the natural language reasoning patterns LLMs have been trained on. Semantic similarity to ground-truth facts or oracle advice from another LLM instance is used to restrict the search space and validate the traces of justification steps returned as answers. At the end, the unique minimal model of a generated Horn Clause program collects the results of the reasoning process. As applications, we sketch implementations of consequence predictions, causal explanations, recommendation systems and topic-focussed exploration of scientific literature.

In many domains of argumentation, people's arguments are driven by so-called attitude roots, i.e., underlying beliefs and world views, and their corresponding attitude themes. Given the strength of these latent drivers of arguments, recent work in psychology suggests that instead of directly countering surface-level reasoning (e.g., falsifying given premises), one should follow an argumentation style inspired by the Jiu-Jitsu 'soft' combat system (Hornsey and Fielding, 2017): first, identify an arguer's attitude roots and themes, and then choose a prototypical rebuttal that is aligned with those drivers instead of invalidating those. In this work, we are the first to explore Jiu-Jitsu argumentation for peer review by proposing the novel task of attitude and theme-guided rebuttal generation. To this end, we enrich an existing dataset for discourse structure in peer reviews with attitude roots, attitude themes, and canonical rebuttals. To facilitate this process, we recast established annotation concepts from the domain of peer reviews (e.g., aspects a review sentence is relating to) and train domain-specific models. We then propose strong rebuttal generation strategies, which we benchmark on our novel dataset for the task of end-to-end attitude and theme-guided rebuttal generation and two subtasks.

Creativity serves as a cornerstone for societal progress and innovation, but its assessment remains a complex and often subjective endeavor. With the rise of advanced generative AI models capable of tasks once reserved for human creativity, the study of AI's creative potential becomes imperative for its responsible development and application. This paper addresses the complexities in defining and evaluating creativity by introducing a new concept called Relative Creativity. Instead of trying to define creativity universally, we shift the focus to whether AI can match the creative abilities of a hypothetical human. This perspective draws inspiration from the Turing Test, expanding upon it to address the challenges and subjectivities inherent in evaluating creativity. This methodological shift facilitates a statistically quantifiable evaluation of AI's creativity, which we term Statistical Creativity. This approach allows for direct comparisons of AI's creative abilities with those of specific human groups. Building on this foundation, we discuss the application of statistical creativity in contemporary prompt-conditioned autoregressive models. In addition to defining and analyzing a measure of creativity, we introduce an actionable training guideline, effectively bridging the gap between theoretical quantification of creativity and practical model training. Through these multifaceted contributions, the paper establishes a cohesive, continuously evolving, and transformative framework for assessing and fostering statistical creativity in AI models.

While text-to-image generation has achieved unprecedented fidelity, the vast majority of existing models function fundamentally as static text-to-pixel decoders. Consequently, they often fail to grasp implicit user intentions. Although emerging unified understanding-generation models have improved intent comprehension, they still struggle to accomplish tasks involving complex knowledge reasoning within a single model. Moreover, constrained by static internal priors, these models remain unable to adapt to the evolving dynamics of the real world. To bridge these gaps, we introduce Mind-Brush, a unified agentic framework that transforms generation into a dynamic, knowledge-driven workflow. Simulating a human-like 'think-research-create' paradigm, Mind-Brush actively retrieves multimodal evidence to ground out-of-distribution concepts and employs reasoning tools to resolve implicit visual constraints. To rigorously evaluate these capabilities, we propose Mind-Bench, a comprehensive benchmark comprising 500 distinct samples spanning real-time news, emerging concepts, and domains such as mathematical and Geo-Reasoning. Extensive experiments demonstrate that Mind-Brush significantly enhances the capabilities of unified models, realizing a zero-to-one capability leap for the Qwen-Image baseline on Mind-Bench, while achieving superior results on established benchmarks like WISE and RISE.

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets -- CreativeBench-Combo and CreativeBench-Explore -- the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

Large language models (LLMs) are increasingly used as role-playing agents, yet their capacity to faithfully and consistently portray version-specific characters -- for example, superheroes across comic and cinematic universes -- remains underexplored. Superhero canons such as Marvel and DC provide a rich testbed: decades of storytelling yield multiple incarnations of the same character with distinct histories, values, and moral codes. To study this problem, we introduce Beyond One World, a benchmark for character-grounded roleplay spanning 30 iconic heroes and 90 canon-specific versions. The benchmark comprises two tasks: (i) Canon Events, which probes factual recall of pivotal life stages, and (ii) Moral Dilemmas, which confronts models with ethically charged scenarios. We score responses for canonical accuracy and reasoning fidelity under a framework that separates internal deliberation ("thinking") from outward decisions ("acting"). We further propose Think-Act Matching, a metric that quantifies alignment between reasons and actions and serves as a proxy for model trustworthiness. Experiments across reasoning- and non-reasoning-oriented models yield three findings: (1) chain-of-thought prompting improves narrative coherence in weaker models but can reduce canonical accuracy in stronger ones; (2) cross-version generalization within a character remains a major obstacle; and (3) models often excel at either thinking or acting, but rarely both. Beyond One World exposes critical gaps in multiversal consistency and reasoning alignment, offering a challenging evaluation for role-playing LLMs.

Large reasoning models (LRMs) show strong capabilities in complex reasoning, yet their marginal gains on evidence-dependent factual questions are limited. We find this limitation is partially attributable to a reasoning-answer hit gap, where the model identifies the correct facts during reasoning but fails to incorporate them into the final response, thereby reducing factual fidelity. To address this issue, we propose MR-ALIGN, a Meta-Reasoning informed alignment framework that enhances factuality without relying on external verifiers. MR-ALIGN quantifies state transition probabilities along the model's thinking process and constructs a transition-aware implicit reward that reinforces beneficial reasoning patterns while suppressing defective ones at the atomic thinking segments. This re-weighting reshapes token-level signals into probability-aware segment scores, encouraging coherent reasoning trajectories that are more conducive to factual correctness. Empirical evaluations across four factual QA datasets and one long-form factuality benchmark show that MR-ALIGN consistently improves accuracy and truthfulness while reducing misleading reasoning. These results highlight that aligning the reasoning process itself, rather than merely the outputs, is pivotal for advancing factuality in LRMs.

Deep Research Agents (DRAs) generate citation-rich reports via multi-step search and synthesis, yet existing benchmarks mainly target text-only settings or short-form multimodal QA, missing end-to-end multimodal evidence use. We introduce MMDeepResearch-Bench (MMDR-Bench), a benchmark of 140 expert-crafted tasks across 21 domains, where each task provides an image-text bundle to evaluate multimodal understanding and citation-grounded report generation. Compared to prior setups, MMDR-Bench emphasizes report-style synthesis with explicit evidence use, where models must connect visual artifacts to sourced claims and maintain consistency across narrative, citations, and visual references. We further propose a unified, interpretable evaluation pipeline: Formula-LLM Adaptive Evaluation (FLAE) for report quality, Trustworthy Retrieval-Aligned Citation Evaluation (TRACE) for citation-grounded evidence alignment, and Multimodal Support-Aligned Integrity Check (MOSAIC) for text-visual integrity, each producing fine-grained signals that support error diagnosis beyond a single overall score. Experiments across 25 state-of-the-art models reveal systematic trade-offs between generation quality, citation discipline, and multimodal grounding, highlighting that strong prose alone does not guarantee faithful evidence use and that multimodal integrity remains a key bottleneck for deep research agents.

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation that drive scientific discovery. We introduce a scenario-grounded benchmark that evaluates LLMs across biology, chemistry, materials, and physics, where domain experts define research projects of genuine interest and decompose them into modular research scenarios from which vetted questions are sampled. The framework assesses models at two levels: (i) question-level accuracy on scenario-tied items and (ii) project-level performance, where models must propose testable hypotheses, design simulations or experiments, and interpret results. Applying this two-phase scientific discovery evaluation (SDE) framework to state-of-the-art LLMs reveals a consistent performance gap relative to general science benchmarks, diminishing return of scaling up model sizes and reasoning, and systematic weaknesses shared across top-tier models from different providers. Large performance variation in research scenarios leads to changing choices of the best performing model on scientific discovery projects evaluated, suggesting all current LLMs are distant to general scientific "superintelligence". Nevertheless, LLMs already demonstrate promise in a great variety of scientific discovery projects, including cases where constituent scenario scores are low, highlighting the role of guided exploration and serendipity in discovery. This SDE framework offers a reproducible benchmark for discovery-relevant evaluation of LLMs and charts practical paths to advance their development toward scientific discovery.

The powerful generative capacity of Large Language Models (LLMs) has instigated a paradigm shift in recommendation. However, existing generative models (e.g., OneRec) operate as implicit predictors, critically lacking the capacity for explicit and controllable reasoning-a key advantage of LLMs. To bridge this gap, we propose OneRec-Think, a unified framework that seamlessly integrates dialogue, reasoning, and personalized recommendation. OneRec-Think incorporates: (1) Itemic Alignment: cross-modal Item-Textual Alignment for semantic grounding; (2) Reasoning Activation: Reasoning Scaffolding to activate LLM reasoning within the recommendation context; and (3) Reasoning Enhancement, where we design a recommendation-specific reward function that accounts for the multi-validity nature of user preferences. Experiments across public benchmarks show state-of-the-art performance. Moreover, our proposed "Think-Ahead" architecture enables effective industrial deployment on Kuaishou, achieving a 0.159\% gain in APP Stay Time and validating the practical efficacy of the model's explicit reasoning capability.

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

Large language models (LLMs) have demonstrated significant success in complex reasoning tasks such as math and coding. In contrast to these tasks where deductive reasoning predominates, inductive reasoning-the ability to derive general rules from incomplete evidence, remains underexplored. This paper investigates extended inductive reasoning in LLMs through the lens of personalized preference inference, a critical challenge in LLM alignment where current approaches struggle to capture diverse user preferences. The task demands strong inductive reasoning capabilities as user preferences are typically embedded implicitly across various interaction forms, requiring models to synthesize consistent preference patterns from scattered signals. We propose AlignXplore, a model that leverages extended reasoning chains to enable systematic preference inference from behavioral signals in users' interaction histories. Such explicit preference articulation enables efficient streaming inference: when new behavioral signals emerge, the model can directly build upon previously inferred preference descriptions rather than reprocessing historical signals from scratch, while also supporting iterative refinement to the inferred preferences. We develop AlignXplore by combining cold-start training based on synthetic data with subsequent online reinforcement learning. Through extensive experiments, we demonstrate that AlignXplore achieves substantial improvements over the backbone model by an average of 15.49\% on in-domain and out-of-domain benchmarks, while maintaining strong generalization ability across different input formats and downstream models. Further analyses establish best practices for preference inference learning through systematic comparison of reward modeling strategies, while revealing the emergence of human-like inductive reasoning patterns during training.

While Reinforcement Learning (RL) has advanced LLM reasoning, applying it to long-context scenarios is hindered by sparsity of outcome rewards. This limitation fails to penalize ungrounded "lucky guesses," leaving the critical process of needle-in-a-haystack evidence retrieval largely unsupervised. To address this, we propose EAPO (Evidence-Augmented Policy Optimization). We first establish the Evidence-Augmented Reasoning paradigm, validating via Tree-Structured Evidence Sampling that precise evidence extraction is the decisive bottleneck for long-context reasoning. Guided by this insight, EAPO introduces a specialized RL algorithm where a reward model computes a Group-Relative Evidence Reward, providing dense process supervision to explicitly improve evidence quality. To sustain accurate supervision throughout training, we further incorporate an Adaptive Reward-Policy Co-Evolution mechanism. This mechanism iteratively refines the reward model using outcome-consistent rollouts, sharpening its discriminative capability to ensure precise process guidance. Comprehensive evaluations across eight benchmarks demonstrate that EAPO significantly enhances long-context reasoning performance compared to SOTA baselines.

We present Innovator-VL, a scientific multimodal large language model designed to advance understanding and reasoning across diverse scientific domains while maintaining excellent performance on general vision tasks. Contrary to the trend of relying on massive domain-specific pretraining and opaque pipelines, our work demonstrates that principled training design and transparent methodology can yield strong scientific intelligence with substantially reduced data requirements. (i) First, we provide a fully transparent, end-to-end reproducible training pipeline, covering data collection, cleaning, preprocessing, supervised fine-tuning, reinforcement learning, and evaluation, along with detailed optimization recipes. This facilitates systematic extension by the community. (ii) Second, Innovator-VL exhibits remarkable data efficiency, achieving competitive performance on various scientific tasks using fewer than five million curated samples without large-scale pretraining. These results highlight that effective reasoning can be achieved through principled data selection rather than indiscriminate scaling. (iii) Third, Innovator-VL demonstrates strong generalization, achieving competitive performance on general vision, multimodal reasoning, and scientific benchmarks. This indicates that scientific alignment can be integrated into a unified model without compromising general-purpose capabilities. Our practices suggest that efficient, reproducible, and high-performing scientific multimodal models can be built even without large-scale data, providing a practical foundation for future research.

The structure of causal language model training assumes that each token can be accurately predicted from the previous context. This contrasts with humans' natural writing and reasoning process, where goals are typically known before the exact argument or phrasings. While this mismatch has been well studied in the literature, the working assumption has been that architectural changes are needed to address this mismatch. We argue that rearranging and processing the training data sequences can allow models to more accurately imitate the true data-generating process, and does not require any other changes to the architecture or training infrastructure. We demonstrate that this technique, Trelawney, and the inference algorithms derived from it allow us to improve performance on several key benchmarks that span planning, algorithmic reasoning, and story generation tasks. Finally, our method naturally enables the generation of long-term goals at no additional cost. We investigate how using the model's goal-generation capability can further improve planning and reasoning. Additionally, we believe Trelawney could potentially open doors to new capabilities beyond the current language modeling paradigm.

Large Language Models (LLMs) have demonstrated remarkable potential in scientific domains, yet a fundamental question remains unanswered: Can we simulate human research communities with LLMs? Addressing this question can deepen our understanding of the processes behind idea brainstorming and inspire the automatic discovery of novel scientific insights. In this work, we propose ResearchTown, a multi-agent framework for research community simulation. Within this framework, the human research community is simplified and modeled as an agent-data graph, where researchers and papers are represented as agent-type and data-type nodes, respectively, and connected based on their collaboration relationships. We also introduce TextGNN, a text-based inference framework that models various research activities (e.g., paper reading, paper writing, and review writing) as special forms of a unified message-passing process on the agent-data graph. To evaluate the quality of the research simulation, we present ResearchBench, a benchmark that uses a node-masking prediction task for scalable and objective assessment based on similarity. Our experiments reveal three key findings: (1) ResearchTown can provide a realistic simulation of collaborative research activities, including paper writing and review writing; (2) ResearchTown can maintain robust simulation with multiple researchers and diverse papers; (3) ResearchTown can generate interdisciplinary research ideas that potentially inspire novel research directions.

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

Writing effective rebuttals is a high-stakes task that demands more than linguistic fluency, as it requires precise alignment between reviewer intent and manuscript details. Current solutions typically treat this as a direct-to-text generation problem, suffering from hallucination, overlooked critiques, and a lack of verifiable grounding. To address these limitations, we introduce RebuttalAgent, the first multi-agents framework that reframes rebuttal generation as an evidence-centric planning task. Our system decomposes complex feedback into atomic concerns and dynamically constructs hybrid contexts by synthesizing compressed summaries with high-fidelity text while integrating an autonomous and on-demand external search module to resolve concerns requiring outside literature. By generating an inspectable response plan before drafting, RebuttalAgent ensures that every argument is explicitly anchored in internal or external evidence. We validate our approach on the proposed RebuttalBench and demonstrate that our pipeline outperforms strong baselines in coverage, faithfulness, and strategic coherence, offering a transparent and controllable assistant for the peer review process. Code will be released.

Teaching large language models (LLMs) to generate text with citations to evidence sources can mitigate hallucinations and enhance verifiability in information-seeking systems. However, improving this capability requires high-quality attribution data, which is costly and labor-intensive. Inspired by recent advances in self-improvement that enhance LLMs without manual annotation, we present START, a Self-Taught AttRibuTion framework for iteratively improving the attribution capability of LLMs. First, to prevent models from stagnating due to initially insufficient supervision signals, START leverages the model to self-construct synthetic training data for warming up. To further self-improve the model's attribution ability, START iteratively utilizes fine-grained preference supervision signals constructed from its sampled responses to encourage robust, comprehensive, and attributable generation. Experiments on three open-domain question-answering datasets, covering long-form QA and multi-step reasoning, demonstrate significant performance gains of 25.13% on average without relying on human annotations and more advanced models. Further analysis reveals that START excels in aggregating information across multiple sources.

Despite impressive progress in high-fidelity image synthesis, generative models still struggle with logic-intensive instruction following, exposing a persistent reasoning--execution gap. Meanwhile, closed-source systems (e.g., Nano Banana) have demonstrated strong reasoning-driven image generation, highlighting a substantial gap to current open-source models. We argue that closing this gap requires not merely better visual generators, but executable reasoning: decomposing high-level intents into grounded, verifiable plans that directly steer the generative process. To this end, we propose Unified Thinker, a task-agnostic reasoning architecture for general image generation, designed as a unified planning core that can plug into diverse generators and workflows. Unified Thinker decouples a dedicated Thinker from the image Generator, enabling modular upgrades of reasoning without retraining the entire generative model. We further introduce a two-stage training paradigm: we first build a structured planning interface for the Thinker, then apply reinforcement learning to ground its policy in pixel-level feedback, encouraging plans that optimize visual correctness over textual plausibility. Extensive experiments on text-to-image generation and image editing show that Unified Thinker substantially improves image reasoning and generation quality.

Analogical reasoning is a unique ability of humans to address unfamiliar challenges by transferring strategies from relevant past experiences. One key finding in psychology is that compared with irrelevant past experiences, recalling relevant ones can help humans better handle new tasks. Coincidentally, the NLP community has also recently found that self-generating relevant examples in the context can help large language models (LLMs) better solve a given problem than hand-crafted prompts. However, it is yet not clear whether relevance is the key factor eliciting such capability, i.e., can LLMs benefit more from self-generated relevant examples than irrelevant ones? In this work, we systematically explore whether LLMs can truly perform analogical reasoning on a diverse set of reasoning tasks. With extensive experiments and analysis, we show that self-generated random examples can surprisingly achieve comparable or even better performance, e.g., 4% performance boost on GSM8K with random biological examples. We find that the accuracy of self-generated examples is the key factor and subsequently design two improved methods with significantly reduced inference costs. Overall, we aim to advance a deeper understanding of LLM analogical reasoning and hope this work stimulates further research in the design of self-generated contexts.

Clinical dialogue represents a complex duality requiring both the empathetic fluency of natural conversation and the rigorous precision of evidence-based medicine. While Large Language Models possess unprecedented linguistic capabilities, their architectural reliance on reactive and stateless processing often favors probabilistic plausibility over factual veracity. This structural limitation has catalyzed a paradigm shift in medical AI from generative text prediction to agentic autonomy, where the model functions as a central reasoning engine capable of deliberate planning and persistent memory. Moving beyond existing reviews that primarily catalog downstream applications, this survey provides a first-principles analysis of the cognitive architecture underpinning this shift. We introduce a novel taxonomy structured along the orthogonal axes of knowledge source and agency objective to delineate the provenance of clinical knowledge against the system's operational scope. This framework facilitates a systematic analysis of the intrinsic trade-offs between creativity and reliability by categorizing methods into four archetypes: Latent Space Clinicians, Emergent Planners, Grounded Synthesizers, and Verifiable Workflow Automators. For each paradigm, we deconstruct the technical realization across the entire cognitive pipeline, encompassing strategic planning, memory management, action execution, collaboration, and evolution to reveal how distinct architectural choices balance the tension between autonomy and safety.

This paper calls on the research community not only to investigate how human biases are inherited by large language models (LLMs) but also to explore how these biases in LLMs can be leveraged to make society's "unwritten code" - such as implicit stereotypes and heuristics - visible and accessible for critique. We introduce a conceptual framework through a case study in science: uncovering hidden rules in peer review - the factors that reviewers care about but rarely state explicitly due to normative scientific expectations. The idea of the framework is to push LLMs to speak out their heuristics through generating self-consistent hypotheses - why one paper appeared stronger in reviewer scoring - among paired papers submitted to 45 computer science conferences, while iteratively searching deeper hypotheses from remaining pairs where existing hypotheses cannot explain. We observed that LLMs' normative priors about the internal characteristics of good science extracted from their self-talk, e.g. theoretical rigor, were systematically updated toward posteriors that emphasize storytelling about external connections, such as how the work is positioned and connected within and across literatures. This shift reveals the primacy of scientific myths about intrinsic properties driving scientific excellence rather than extrinsic contextualization and storytelling that influence conceptions of relevance and significance. Human reviewers tend to explicitly reward aspects that moderately align with LLMs' normative priors (correlation = 0.49) but avoid articulating contextualization and storytelling posteriors in their review comments (correlation = -0.14), despite giving implicit reward to them with positive scores. We discuss the broad applicability of the framework, leveraging LLMs as diagnostic tools to surface the tacit codes underlying human society, enabling more precisely targeted responsible AI.

Recent work synthesizes agentic tasks for post-training tool-using LLMs, yet robust generalization under shifts in tasks and toolsets remains an open challenge. We trace this brittleness to insufficient diversity in synthesized tasks. Scaling diversity is difficult because training requires tasks to remain executable and verifiable, while generalization demands coverage of diverse tool types, toolset combinations, and heterogeneous tool-use patterns. We propose DIVE, an evidence-driven recipe that inverts synthesis order, executing diverse, real-world tools first and reverse-deriving tasks strictly entailed by the resulting traces, thereby providing grounding by construction. DIVE scales structural diversity along two controllable axes, tool-pool coverage and per-task toolset variety, and an Evidence Collection--Task Derivation loop further induces rich multi-step tool-use patterns across 373 tools in five domains. Training Qwen3-8B on DIVE data (48k SFT + 3.2k RL) improves by +22 average points across 9 OOD benchmarks and outperforms the strongest 8B baseline by +68. Remarkably, controlled scaling analysis reveals that diversity scaling consistently outperforms quantity scaling for OOD generalization, even with 4x less data.

Deep Research Agents generate analyst-grade reports, yet evaluating them remains challenging due to the absence of a single ground truth and the multidimensional nature of research quality. Recent benchmarks propose distinct methodologies, yet they suffer from the Mirage of Synthesis, where strong surface-level fluency and citation alignment can obscure underlying factual and reasoning defects. We characterize this gap by introducing a taxonomy across four verticals that exposes a critical capability mismatch: static evaluators inherently lack the tool-use capabilities required to assess temporal validity and factual correctness. To address this, we propose DREAM (Deep Research Evaluation with Agentic Metrics), a framework that instantiates the principle of capability parity by making evaluation itself agentic. DREAM structures assessment through an evaluation protocol combining query-agnostic metrics with adaptive metrics generated by a tool-calling agent, enabling temporally aware coverage, grounded verification, and systematic reasoning probes. Controlled evaluations demonstrate DREAM is significantly more sensitive to factual and temporal decay than existing benchmarks, offering a scalable, reference-free evaluation paradigm.

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the novel task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent chemistry literature show that our method consistently outperforms strong baselines.