Daily Papers

LLM agents increasingly answer questions over dynamic raw-document collections, where files may change before preprocessing, and relevant evidence (spans, sections, pages, or tables) is query-dependent. Existing retrieval-augmented approaches pre-materialize evidence via fixed chunking, embeddings, or persistent indexes: effective for lookup, yet costly, stale-prone, and committed to a granularity before the query is known. We formulate in-context search as Budgeted Evidence Localization over a latent evidence space induced by dynamic raw documents and propose LENS (Latent Evidence Exploration and Search), an index-free framework. Instead of pre-materializing the evidence space, LENS maintains a query-conditioned belief over candidate units, iteratively selecting candidates via complementary lexical, local, and exploratory proposal policies, updating the belief via an LLM relevance oracle, and narrowing toward high-posterior regions under a controllable budget. Evidence is consolidated into compact, source-grounded regions of interest and compressed into self-organizing knowledge clusters reused across related queries. On a controlled 500-question evaluation with matched corpus snapshots, LENS reaches 62.4% exact match and 84.8% evidence recall vs. 65.2% exact match but 50.4% evidence recall for a ReAct-style baseline. Across scales, LENS gives the strongest supporting-fact localization and answer grounding. On a fixed 150-question fullwiki subset over the raw Wikipedia dump with zero indexing, LENS and ReAct are nearly tied in official answer quality (43.3% vs. 42.7% EM), with LENS grounding more answers in retrieved evidence (84.0% vs. 70.7%). A no-retrieval Closed-Book reference highlights the contribution of model memory. LENS is query-ready after corpus changes, needs no preprocessing or persistent index, and preserves source-grounded evidence localization throughout.

Given the rapid ascent of large language models (LLMs), we study the question: (How) can large language models help in reviewing of scientific papers or proposals? We first conduct some pilot studies where we find that (i) GPT-4 outperforms other LLMs (Bard, Vicuna, Koala, Alpaca, LLaMa, Dolly, OpenAssistant, StableLM), and (ii) prompting with a specific question (e.g., to identify errors) outperforms prompting to simply write a review. With these insights, we study the use of LLMs (specifically, GPT-4) for three tasks: 1. Identifying errors: We construct 13 short computer science papers each with a deliberately inserted error, and ask the LLM to check for the correctness of these papers. We observe that the LLM finds errors in 7 of them, spanning both mathematical and conceptual errors. 2. Verifying checklists: We task the LLM to verify 16 closed-ended checklist questions in the respective sections of 15 NeurIPS 2022 papers. We find that across 119 {checklist question, paper} pairs, the LLM had an 86.6% accuracy. 3. Choosing the "better" paper: We generate 10 pairs of abstracts, deliberately designing each pair in such a way that one abstract was clearly superior than the other. The LLM, however, struggled to discern these relatively straightforward distinctions accurately, committing errors in its evaluations for 6 out of the 10 pairs. Based on these experiments, we think that LLMs have a promising use as reviewing assistants for specific reviewing tasks, but not (yet) for complete evaluations of papers or proposals.

Background. The development of empirical studies in software engineering mainly relies on the data available on code hosting platforms, being GitHub the most representative. Nevertheless, in the last years, the emergence of Machine Learning (ML) has led to the development of platforms specifically designed for developing ML-based projects, being Hugging Face Hub (HFH) the most popular one. With over 250k repositories, and growing fast, HFH is becoming a promising ecosystem of ML artifacts and therefore a potential source of data for empirical studies. However, so far there have been no studies evaluating the potential of HFH for such studies. Objective. In this proposal for a registered report, we aim at performing an exploratory study of the current state of HFH in order to investigate its suitability to be used as a source platform for empirical studies. Method. We conduct a qualitative and quantitative analysis of HFH for empirical studies. The former will be performed by comparing the features of HFH with those of other code hosting platforms, such as GitHub and GitLab. The latter will be performed by analyzing the data available in HFH.

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.

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.

LLMs are increasingly used to brainstorm research ideas, but existing evaluations mostly judge individual ideas by novelty, feasibility, or expert preference. We instead ask: how far are current LLM-generated ideas from human researchers? To characterize this gap, we build a large-scale evaluation framework for ideation from high-quality human research papers. For each paper, we reverse-engineer a small set of closely related prior works that likely inspired its core idea. LLMs are then prompted to generate a new idea from the set of paper titles and summaries. We introduce a two-axis research-taste taxonomy to profile each idea by its opportunity pattern and research paradigm, and use it to quantify the divergence between human and LLM ideas. Across idea sets generated by different LLMs, we observe a consistent distributional gap: LLM ideas are disproportionately concentrated around bridge-like opportunities and synthesis methods, whereas the human paper reference distribution spreads more broadly across ways of framing gaps and constructing contributions. This result suggests that strong LLMs can produce a range of reasonable ideas, but that range remains narrower than, and systematically shifted relative to, human research taste.

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.

Scientific ideation unfolds over multiple stages, including literature search, paper reading, tool use, claim checking, cross-paper synthesis, brainstorming, rejection of weak directions, and iterative writing. Yet most existing resources capture isolated components or final artifacts rather than the process connecting them. We introduce IdeaTrail, a dataset of 1,170 multi-turn trajectories for scientific ideation and proposal generation. Each trajectory follows a research process from evidence gathering to either idea selection or proposal construction, jointly recording tool use, acquired evidence, intermediate artifacts, and reasoning. IdeaTrail is synthesized from human-selected research papers and proposal artifacts through a Generator--Advisor loop. The Generator produces the visible sequence of actions, observations, and artifact edits, while the Advisor uses the full generation context to check grounding, causal order, naturalness, and leakage from hidden targets. This reverse-to-forward design keeps trajectories aligned with real scientific artifacts while retaining the uncertainty, evidence use, and staged convergence characteristic of research practice. IdeaTrail provides both reusable process supervision and a general recipe for constructing scientific-research-agent data.

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.

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 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.

Large Language Models (LLMs) have significantly automated the process of scientific discovery over the past few years. However, existing systems share one core limitation: they generate and optimize ideas independently for either Quality or Diversity. This often leads to the generation of ideas in close proximity to one another or to a large set of trivial, unsound, or unclear concepts. In this work, we instead argue that research ideation should be treated as a conjunction of both objectives and framed as a Quality-Diversity (QD) search. In line with this perspective, we introduce IDEAgent, a multi-agent framework that manages the evolution of ideas through lineages. We jointly drive Quality using multi-objective feedback for dedicated repair and refinement, while Diversity is achieved through lightweight sequential memory and explicit comparison against completed ideas, their historical ancestors, and rejected proposals. To systematically evaluate this QD conjunction, we develop Yield, a joint metric that computes the largest set of mutually diverse ideas that satisfy a predetermined quality threshold. Finally, through evaluations across 32 topics spanning 8 domains of Computer Science, we show that IDEAgent outperforms the best baseline by 3.89x on Yield, while achieving non-zero Yield on 8x more topics. We further corroborate these findings through an analysis of quality improvements, showing that repair and refinement are crucial for building logical rigor and clarity while preserving non-obviousness. To encourage future research on QD-search-based ideation, we open-source IDEAgent at https://github.com/declare-lab/IDEAgent.

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 have made research ideation increasingly accessible, yet effective idea development requires more than generating candidate directions. Researchers must ground a problem in current literature, identify meaningful bottlenecks, differentiate from existing solutions, and evaluate risks before committing to implementation. We present ResearchStudio-Idea as a reusable skill suite for this first mile of research ideation. The suite includes Paper-Search, a standalone multi-source literature search skill; Scoop-Check, a standalone prior-art collision checker for novelty claims; and IdeaSpark, the end-to-end skill that composes evidence grounding, pattern-guided generation, collision retrieval, audit, and idea-card rendering into one workflow. IdeaSpark is constructed from a corpus of 1,947 machine learning conference papers collected from ICLR, ICML, and NeurIPS between 2021 and 2025, including Oral papers, a separately tracked high-citation subset, and rejected submissions. Analysis of these outcomes reveals 31 recurring ideation sub-patterns, consolidated into 15 reusable ideation patterns. Each pattern is operationalized as a structured card containing research contexts, bottleneck types, differentiation strategies, supporting precedents, and common failure modes. Given a research problem and an evidence bundle, IdeaSpark evaluates evidence readiness, reconstructs the surrounding research context, identifies unresolved bottlenecks, selects relevant patterns, instantiates one candidate direction, retrieves potentially conflicting prior work, and performs outcome-informed auditing. This workflow transforms reusable ideation patterns into traceable research proposals. Blind automated-judge evaluations show that IdeaSpark consistently produces stronger research proposals than no-skill and generic-skill baselines while maintaining competitive novelty.

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.

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.

In many real-world scenarios, rewards extrinsic to the agent are extremely sparse, or absent altogether. In such cases, curiosity can serve as an intrinsic reward signal to enable the agent to explore its environment and learn skills that might be useful later in its life. We formulate curiosity as the error in an agent's ability to predict the consequence of its own actions in a visual feature space learned by a self-supervised inverse dynamics model. Our formulation scales to high-dimensional continuous state spaces like images, bypasses the difficulties of directly predicting pixels, and, critically, ignores the aspects of the environment that cannot affect the agent. The proposed approach is evaluated in two environments: VizDoom and Super Mario Bros. Three broad settings are investigated: 1) sparse extrinsic reward, where curiosity allows for far fewer interactions with the environment to reach the goal; 2) exploration with no extrinsic reward, where curiosity pushes the agent to explore more efficiently; and 3) generalization to unseen scenarios (e.g. new levels of the same game) where the knowledge gained from earlier experience helps the agent explore new places much faster than starting from scratch. Demo video and code available at https://pathak22.github.io/noreward-rl/

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.

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.

"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.

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.

Recommender Systems have been the cornerstone of online retailers. Traditionally they were based on rules, relevance scores, ranking algorithms, and supervised learning algorithms, but now it is feasible to use reinforcement learning algorithms to generate meaningful recommendations. This work investigates and develops means to setup a reproducible testbed, and evaluate different state of the art algorithms in a realistic environment. It entails a proposal, literature review, methodology, results, and comments.

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.

Scientific idea generation (SIG) is critical to AI-driven autonomous research, yet existing approaches are often constrained by a static retrieval-then-generation paradigm, leading to homogeneous and insufficiently divergent ideas. In this work, we propose FlowPIE, a tightly coupled retrieval-generation framework that treats literature exploration and idea generation as a co-evolving process. FlowPIE expands literature trajectories via a flow-guided Monte Carlo Tree Search (MCTS) inspired by GFlowNets, using the quality of current ideas assessed by an LLM-based generative reward model (GRM) as a supervised signal to guide adaptive retrieval and construct a diverse, high-quality initial population. Based on this population, FlowPIE models idea generation as a test-time idea evolution process, applying selection, crossover, and mutation with the isolation island paradigm and GRM-based fitness computation to incorporate cross-domain knowledge. It effectively mitigates the information cocoons arising from over-reliance on parametric knowledge and static literature. Extensive evaluations demonstrate that FlowPIE consistently produces ideas with higher novelty, feasibility and diversity compared to strong LLM-based and agent-based frameworks, while enabling reward scaling during test time.

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.

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

Large language models (LLMs) are increasingly used to assist ideation in research, but evaluating the quality of LLM-generated research proposals remains difficult: novelty and soundness are hard to measure automatically, and large-scale human evaluation is costly. We propose a verifiable alternative by reframing proposal generation as a time-sliced scientific forecasting problem. Given a research question and inspiring papers available before a cutoff time, the model generates a structured proposal and is evaluated by whether it anticipates research directions that appear in papers published after the time. We operationalize this objective with the Future Alignment Score (FAS), computed via retrieval and LLM-based semantic scoring against a held-out future corpus. To train models, we build a time-consistent dataset of 17,771 papers from targets and their pre-cutoff citations, and synthesize reasoning traces that teach gap identification and inspiration borrowing. Across Llama-3.1 and Qwen2.5 models, future-aligned tuning improves future alignment over unaligned baselines (up to +10.6% overall FAS), and domain-expert human evaluation corroborates improved proposal quality. Finally, we demonstrate practical impact by implementing two model-generated proposals with a code agent, obtaining 4.17% accuracy gain on MATH from a new prompting strategy and consistent improvements for a novel model-merging method.

Data-driven social science research is inherently slow, relying on iterative cycles of observation, hypothesis generation, and experimental validation. While recent data-driven methods promise to accelerate parts of this process, they largely fail to support end-to-end scientific discovery. To address this gap, we introduce EXPERIGEN, an agentic framework that operationalizes end-to-end discovery through a Bayesian optimization inspired two-phase search, in which a Generator proposes candidate hypotheses and an Experimenter evaluates them empirically. Across multiple domains, EXPERIGEN consistently discovers 2-4x more statistically significant hypotheses that are 7-17 percent more predictive than prior approaches, and naturally extends to complex data regimes including multimodal and relational datasets. Beyond statistical performance, hypotheses must be novel, empirically grounded, and actionable to drive real scientific progress. To evaluate these qualities, we conduct an expert review of machine-generated hypotheses, collecting feedback from senior faculty. Among 25 reviewed hypotheses, 88 percent were rated moderately or strongly novel, 70 percent were deemed impactful and worth pursuing, and most demonstrated rigor comparable to senior graduate-level research. Finally, recognizing that ultimate validation requires real-world evidence, we conduct the first A/B test of LLM-generated hypotheses, observing statistically significant results with p less than 1e-6 and a large effect size of 344 percent.

Innovation is a key driving force of human civilization. As the body of knowledge has grown considerably, bridging knowledge across different disciplines, where significant innovation often emerges, has become increasingly challenging. The recent advancements in machine learning models, particularly Large Language Models (LLMs), have provided effective access to extensive knowledge sources and shown impressive abilities in reasoning, rendering significant opportunities for interdisciplinary discovery. Our research aims to understand the capabilities of state-of-the-art LLMs in integrating knowledge from different fields for interdisciplinary research (IDR). To address this fundamental problem, we introduce IDRBench, a pioneering framework that includes both datasets and evaluation tasks: (1) IDR Paper Identification, (2) IDR Idea Integration, and (3) IDR Idea Recommendation. Our study on ten mainstream LLMs provides a comprehensive analysis of their behavior and establishes benchmarks and baselines for future research. To the best of our knowledge, IDRBench is the first to provide a comprehensive investigation of LLMs' IDR capability.

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.

Formulating effective search queries remains a challenging task, particularly when users lack expertise in a specific domain or are not proficient in the language of the content. Providing example documents of interest might be easier for a user. However, such query-by-example scenarios are prone to concept drift, and the retrieval effectiveness is highly sensitive to the query generation method, without a clear way to incorporate user feedback. To enable exploration and to support Human-In-The-Loop experiments we propose QueryExplorer -- an interactive query generation, reformulation, and retrieval interface with support for HuggingFace generation models and PyTerrier's retrieval pipelines and datasets, and extensive logging of human feedback. To allow users to create and modify effective queries, our demo supports complementary approaches of using LLMs interactively, assisting the user with edits and feedback at multiple stages of the query formulation process. With support for recording fine-grained interactions and user annotations, QueryExplorer can serve as a valuable experimental and research platform for annotation, qualitative evaluation, and conducting Human-in-the-Loop (HITL) experiments for complex search tasks where users struggle to formulate queries.

Autonomous research systems are increasingly capable of executing long research workflows, yet automation alone does not ensure that the resulting process remains scientifically grounded. We introduce AutoResearch, a two-stage system that connects Idea Generation with Idea Execution to address both how research ideas are formed and how they are reliably established through experimentation. In Idea Generation, AutoResearch continuously integrates emerging research signals with accumulated domain knowledge, identifies transferable mechanistic insights, and uses multi-model generation and cross-review to produce grounded, testable research plans. In Idea Execution, coordinated agents decompose these plans into experiments, iteratively implement and diagnose them, and employ independent evidence-based review before accepting research conclusions. Across representative settings in cross-modal retrieval, systems optimization, and benchmark-driven machine learning, AutoResearch turns generated ideas into measurable progress, detects and corrects unreliable experimental results, and makes evidence-conditioned decisions to continue, revise, or terminate research directions. For example, on RSICD benchmark, an AutoResearch-generated idea improves mean Recall from 32.84 to 34.69, while recording only 5 audit-confirmed issue events compared with 11-27 for other autonomous research systems. These results demonstrate a research process in which meaningful insight is grounded before experimentation and conclusions are grounded before acceptance: Insight In, Hallucination Out.

Large language model (LLM) powered chatbots are primarily text-based today, and impose a large interactional cognitive load, especially for exploratory or sensemaking tasks such as planning a trip or learning about a new city. Because the interaction is textual, users have little scaffolding in the way of structure, informational "scent", or ability to specify high-level preferences or goals. We introduce ExploreLLM that allows users to structure thoughts, help explore different options, navigate through the choices and recommendations, and to more easily steer models to generate more personalized responses. We conduct a user study and show that users find it helpful to use ExploreLLM for exploratory or planning tasks, because it provides a useful schema-like structure to the task, and guides users in planning. The study also suggests that users can more easily personalize responses with high-level preferences with ExploreLLM. Together, ExploreLLM points to a future where users interact with LLMs beyond the form of chatbots, and instead designed to support complex user tasks with a tighter integration between natural language and graphical user interfaces.

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.

Autonomous AI Research promises to accelerate the scientific progress of machine learning. To realise this goal, current Large Language Model (LLM)-based agents need to go beyond just writing code, to mastering the exploration of simultaneously performant, diverse and novel ideas. To this end, we introduce Heuresis, a framework that abstracts the research pipeline into a set of general and composable primitives, enabling open-ended scientific exploration in machine learning research. We implement six search strategies: a greedy baseline, two archive-based (MAP-Elites, Go-Explore), one evolutionary (Islands), and two divergent (Curiosity, Omni), and evaluate them across three axes (Quality, Diversity, and Novelty) on three domains (LLM Pretraining, On-Policy RL, and Model Unlearning), totalling 3,222 scored runs. We find that completely novel ideas are rare. No idea across our scored runs is rated as "Original", and only a few achieve only "Minor Similarity" to prior work. Moreover, novel ideas never approach the highest-performing known-recipe scores. Across all six strategies and three domains, only one such idea lands in the top-10 by quality. We also observed agents resorting to a variety of reward-hacking techniques during execution (40 confirmed fabrications across 1,628 scored runs), and detecting them was necessary to keep the search faithful to the task. Our results show that while current search and Quality-Diversity strategies enable us to steer where the generated ideas land on the quality, diversity, and novelty axes, they do not expand the quality-novelty frontier. Bridging this gap is the open challenge towards the ultimate goal of perpetual, autonomous scientific progress. Code is available at github.com/a-antoniades/Heuresis.

Scientific literature searches are often exploratory, whereby users are not yet familiar with a particular field or concept but are interested in learning more about it. However, existing systems for scientific literature search are typically tailored to keyword-based lookup searches, limiting the possibilities for exploration. We propose NLP-KG, a feature-rich system designed to support the exploration of research literature in unfamiliar natural language processing (NLP) fields. In addition to a semantic search, NLP-KG allows users to easily find survey papers that provide a quick introduction to a field of interest. Further, a Fields of Study hierarchy graph enables users to familiarize themselves with a field and its related areas. Finally, a chat interface allows users to ask questions about unfamiliar concepts or specific articles in NLP and obtain answers grounded in knowledge retrieved from scientific publications. Our system provides users with comprehensive exploration possibilities, supporting them in investigating the relationships between different fields, understanding unfamiliar concepts in NLP, and finding relevant research literature. Demo, video, and code are available at: https://github.com/NLP-Knowledge-Graph/NLP-KG-WebApp.

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/.

Automating scientific discovery in complex, experiment-driven domains requires more than iterative mutation of programs; it demands structured hypothesis management, environment interaction, and principled reflection. We present OR-Agent, a configurable multi-agent research framework designed for automated exploration in rich experimental environments. OR-Agent organizes research as a structured tree-based workflow that explicitly models branching hypothesis generation and systematic backtracking, enabling controlled management of research trajectories beyond simple mutation-crossover loops. At its core, we introduce an evolutionary-systematic ideation mechanism that unifies evolutionary selection of research starting points, comprehensive research plan generation, and coordinated exploration within a research tree. We introduce a hierarchical optimization-inspired reflection system in which short-term reflections act as verbal gradients, long-term reflections as verbal momentum, and memory compression as semantic weight decay, collectively forming a principled mechanism for governing research dynamics. We conduct extensive experiments across classical combinatorial optimization benchmarks as well as simulation-based cooperative driving scenarios. Results demonstrate that OR-Agent outperforms strong evolutionary baselines while providing a general, extensible, and inspectable framework for AI-assisted scientific discovery. All code and experimental data are publicly available at https://github.com/qiliuchn/OR-Agent.

In the last decade, several organizations have produced documents intended to standardize, in the normative sense, and promote guidance to our recent and rapid AI development. However, the full spectrum of ideas presented in these documents has not yet been analyzed, except for a few meta-analyses and critical reviews of the field. In this work, we seek to expand on the work done by past researchers and create a tool for better data visualization of the contents and nature of these documents, to understand whether there is consensus or similarity between the principles espoused by various institutions, which may inspire debates on future regulations. We also provide some preliminary thoughts and questions that could guide the continuity of the research through a critical analysis of the results acquired by our methodology into a sample size of 200 documents.

AI co-scientists that generate hypotheses, retrieve related work, design experiments, execute code, and draft full papers are beginning to change how research is carried out. Despite this rapid progress, state-of-the-art systems remain researcher-agnostic: given a research goal, they optimize novelty, validity, or reviewer score while ignoring the individual scientist who will use the output. This overlooks a fundamental fact about research, namely, that what counts as novel, valuable, or feasible depends on the researcher, including their prior work, methodological repertoire, and the collaborators and communities in which they are embedded. In this work, we introduce the problem of personalized auto-research, which conditions every stage of the research process on a representation of the individual researcher. We argue that personalization is not a convenience layer, but rather the fundamental property that allows an AI system to serve as a genuine co-scientist rather than a generic instrument. To address this problem, we propose a general and flexible framework that threads a graph-grounded researcher context through retrieval, hypothesis search, experimentation, writing, and review. The framework consists of three fundamental components: (i) graph-grounded researcher representations, (ii) personalization across the full research pipeline, and (iii) evaluation grounded in the individual. Notably, we highlight a one-size-fits-all failure mode where distinct researchers issuing the same goal receive essentially the same research, erasing the tacit knowledge through which novel ideas arise. Finally, we discuss fundamental open problems and challenges.

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.

Evaluating novelty is critical yet challenging in peer review, as reviewers must assess submissions against a vast, rapidly evolving literature. This report presents OpenNovelty, an LLM-powered agentic system for transparent, evidence-based novelty analysis. The system operates through four phases: (1) extracting the core task and contribution claims to generate retrieval queries; (2) retrieving relevant prior work based on extracted queries via semantic search engine; (3) constructing a hierarchical taxonomy of core-task-related work and performing contribution-level full-text comparisons against each contribution; and (4) synthesizing all analyses into a structured novelty report with explicit citations and evidence snippets. Unlike naive LLM-based approaches, OpenNovelty grounds all assessments in retrieved real papers, ensuring verifiable judgments. We deploy our system on 500+ ICLR 2026 submissions with all reports publicly available on our website, and preliminary analysis suggests it can identify relevant prior work, including closely related papers that authors may overlook. OpenNovelty aims to empower the research community with a scalable tool that promotes fair, consistent, and evidence-backed peer review.

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.

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.

In this manifesto, we put forward the idea of data alchemy as a narrative device to discuss storytelling and transdisciplinarity in visualization. If data is the prima materia of modern science, how does one perform the Great Work? We use text-to-image diffusion-based generative art to develop the concept, and structure our argument in ten propositions, as if they were ten issues of a comic novel on data alchemy: Ad Disco Diffusionem. To follow the argument, the reader must immerse themselves in our miro board, and navigate a multimedia semiotic topology that includes comics, videos, code demos, and ergotic literature in a true alchemic sense. By accessing this paradigm one might find new sources of inspiration for scientific inquiry in familiar places, or get lost in the creative exploration of the unknown. Our colorful, sometimes poetic, exposition should not distract the reader from the seriousness of the ideas discussed, but ultimately it is about the journey.

We consider multi-draft speculative sampling, where the proposal sequences are sampled independently from different draft models. At each step, a token-level draft selection scheme takes a list of valid tokens as input and produces an output token whose distribution matches that of the target model. Previous works have demonstrated that the optimal scheme (which maximizes the probability of accepting one of the input tokens) can be cast as a solution to a linear program. In this work we show that the optimal scheme can be decomposed into a two-step solution: in the first step an importance sampling (IS) type scheme is used to select one intermediate token; in the second step (single-draft) speculative sampling is applied to generate the output token. For the case of two identical draft models we further 1) establish a necessary and sufficient condition on the distributions of the target and draft models for the acceptance probability to equal one and 2) provide an explicit expression for the optimal acceptance probability. Our theoretical analysis also motives a new class of token-level selection scheme based on weighted importance sampling. Our experimental results demonstrate consistent improvements in the achievable block efficiency and token rates over baseline schemes in a number of scenarios.

Scientific innovation is undergoing a paradigm shift driven by the rapid advancement of Large Language Models (LLMs). As science faces mounting challenges including information overload, disciplinary silos, and diminishing returns on conventional research methods, LLMs are emerging as powerful agents capable not only of enhancing scientific workflows but also of participating in and potentially leading the innovation process. Existing surveys mainly focus on different perspectives, phrases, and tasks in scientific research and discovery, while they have limitations in understanding the transformative potential and role differentiation of LLM. This survey proposes a comprehensive framework to categorize the evolving roles of LLMs in scientific innovation across three hierarchical levels: Evaluator, Collaborator, and Scientist. We distinguish between LLMs' contributions to structured scientific research processes and open-ended scientific discovery, thereby offering a unified taxonomy that clarifies capability boundaries, evaluation criteria, and human-AI interaction patterns at each level. Through an extensive analysis of current methodologies, benchmarks, systems, and evaluation metrics, this survey delivers an in-depth and systematic synthesis on LLM-driven scientific innovation. We present LLMs not only as tools for automating existing processes, but also as catalysts capable of reshaping the epistemological foundations of science itself. This survey offers conceptual clarity, practical guidance, and theoretical foundations for future research, while also highlighting open challenges and ethical considerations in the pursuit of increasingly autonomous AI-driven science. Resources related to this survey can be accessed on GitHub at: https://github.com/haoxuan-unt2024/llm4innovation.

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.

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.

The rapid acceleration of scientific publishing has created substantial challenges for researchers attempting to discover, contextualize, and interpret relevant literature. Traditional keyword-based search systems provide limited semantic understanding, while existing AI-driven tools typically focus on isolated tasks such as retrieval, clustering, or bibliometric visualization. This paper presents an integrated system for scientific literature exploration that combines large-scale data acquisition, hybrid retrieval, semantic topic modeling, and heterogeneous knowledge graph construction. The system builds a comprehensive corpus by merging full-text data from arXiv with structured metadata from OpenAlex. A hybrid retrieval architecture fuses BM25 lexical search with embedding-based semantic search using Reciprocal Rank Fusion. Topic modeling is performed on retrieved results using BERTopic or non-negative matrix factorization depending on computational resources. A knowledge graph unifies papers, authors, institutions, countries, and extracted topics into an interpretable structure. The system provides a multi-layered exploration environment that reveals not only relevant publications but also the conceptual and relational landscape surrounding a query. Evaluation across multiple queries demonstrates improvements in retrieval relevance, topic coherence, and interpretability. The proposed framework contributes an extensible foundation for AI-assisted scientific discovery.

We investigate the extent to which contemporary Large Language Models (LLMs) can engage in exploration, a core capability in reinforcement learning and decision making. We focus on native performance of existing LLMs, without training interventions. We deploy LLMs as agents in simple multi-armed bandit environments, specifying the environment description and interaction history entirely in-context, i.e., within the LLM prompt. We experiment with GPT-3.5, GPT-4, and Llama2, using a variety of prompt designs, and find that the models do not robustly engage in exploration without substantial interventions: i) Across all of our experiments, only one configuration resulted in satisfactory exploratory behavior: GPT-4 with chain-of-thought reasoning and an externally summarized interaction history, presented as sufficient statistics; ii) All other configurations did not result in robust exploratory behavior, including those with chain-of-thought reasoning but unsummarized history. Although these findings can be interpreted positively, they suggest that external summarization -- which may not be possible in more complex settings -- is important for obtaining desirable behavior from LLM agents. We conclude that non-trivial algorithmic interventions, such as fine-tuning or dataset curation, may be required to empower LLM-based decision making agents in complex settings.

The rapid move to remote work due to COVID-19 social distancing policies has slowed or stopped most in-person qualitative user research activities. The limitation on in-person activities has pushed many user researchers to consider how they can continue their research remotely and presents an opportunity for user research teams to (re)design their research processes for remote work. In this position statement, I outline prior work in remote qualitative user research methods and discuss how this work can help us to (re)design new tools, methods, and frameworks that can enable remote work. I then propose a set of research questions that can further our knowledge and abilities to conduct effective remote user research. With creative development, we can create remote research methods that afford new ways of understanding user experience today and build more environmentally conscious and accessible research practices for a future where remote user research is much more common.

Predicting the answer to interventional ``what if'' questions --- the outcome of an action never taken --- requires a mechanistic, causal model, not a curve fit; and learning such a model requires experiments, because passive data leaves its mechanisms unidentified. Experiments are expensive, so the central problem is data efficiency. We present the Model Discovery Agent (MDA), which couples a large language model (LLM), used as a proposer of candidate structures, with standard Bayesian machinery --- sequential Monte Carlo (SMC) for parameter and structure posteriors, simulation-based inference (SBI) for intractable likelihoods, and value-of-information (VoI) for experiment design --- to discover latent mechanistic world models from few interventions. MDA operates in the M-open setting: when the truth lies outside the current hypothesis class, a predictive check flags the inadequacy and the proposer expands the hypothesis space with a new model whose parameters are then identified by designed experiments. We show that discovery and design reinforce: the design step identifies the mechanism the discovery step proposes, and the identified mechanism improves predictions, enabling further discoveries from the remaining unexplained residuals. On three different benchmarks --- covering physics (\DPbench, wiemann2026discoverphysics), chemistry (\CHEMbench, kabra2026autoscilab) and biology (\HHbench, a new partially observed single-neuron electrophysiology benchmark we create) --- we show that MDA sets a new SOTA in terms of data-efficient model learning and reliable interventional prediction ability.

Curiosity-based reward schemes can present powerful exploration mechanisms which facilitate the discovery of solutions for complex, sparse or long-horizon tasks. However, as the agent learns to reach previously unexplored spaces and the objective adapts to reward new areas, many behaviours emerge only to disappear due to being overwritten by the constantly shifting objective. We argue that merely using curiosity for fast environment exploration or as a bonus reward for a specific task does not harness the full potential of this technique and misses useful skills. Instead, we propose to shift the focus towards retaining the behaviours which emerge during curiosity-based learning. We posit that these self-discovered behaviours serve as valuable skills in an agent's repertoire to solve related tasks. Our experiments demonstrate the continuous shift in behaviour throughout training and the benefits of a simple policy snapshot method to reuse discovered behaviour for transfer tasks.

In peer mechanisms, the competitors for a prize also determine who wins. Each competitor may be asked to rank, grade, or nominate peers for the prize. Since the prize can be valuable, such as financial aid, course grades, or an award at a conference, competitors may be tempted to manipulate the mechanism. We survey approaches to prevent or discourage the manipulation of peer mechanisms. We conclude our survey by identifying several important research challenges.

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

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.

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

The astonishing growth of generative tools in recent years has empowered many exciting applications in text-to-image generation and text-to-video generation. The underlying principle behind these generative tools is the concept of diffusion, a particular sampling mechanism that has overcome some shortcomings that were deemed difficult in the previous approaches. The goal of this tutorial is to discuss the essential ideas underlying the diffusion models. The target audience of this tutorial includes undergraduate and graduate students who are interested in doing research on diffusion models or applying these models to solve other problems.

To handle ambiguous and open-ended requests, Large Language Models (LLMs) are increasingly trained to interact with users to surface intents they have not yet expressed (e.g., ask clarification questions). However, users are often ambiguous because they have not yet formed their intents: they must observe and explore outcomes to discover what they want. Simply asking "what kind of tone do you want?" fails when users themselves do not know. We introduce DiscoverLLM, a novel and generalizable framework that trains LLMs to help users form and discover their intents. Central to our approach is a novel user simulator that models cognitive state with a hierarchy of intents that progressively concretize as the model surfaces relevant options -- where the degree of concretization serves as a reward signal that models can be trained to optimize. Resulting models learn to collaborate with users by adaptively diverging (i.e., explore options) when intents are unclear, and converging (i.e., refine and implement) when intents concretize. Across proposed interactive benchmarks in creative writing, technical writing, and SVG drawing, DiscoverLLM achieves over 10% higher task performance while reducing conversation length by up to 40%. In a user study with 75 human participants, DiscoverLLM improved conversation satisfaction and efficiency compared to baselines.

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 rapid advancement of scientific progress requires innovative tools that can accelerate discovery. While recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short in replicating the collaborative nature of real-world scientific practices, where diverse teams of experts work together to tackle complex problems. To address the limitation, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel and impactful scientific ideas, showing potential in aligning with key insights in the Science of Science field. Our findings suggest that integrating collaborative agents can lead to more innovative scientific outputs, offering a robust system for autonomous scientific discovery.

Extrinsic rewards can effectively guide reinforcement learning (RL) agents in specific tasks. However, extrinsic rewards frequently fall short in complex environments due to the significant human effort needed for their design and annotation. This limitation underscores the necessity for intrinsic rewards, which offer auxiliary and dense signals and can enable agents to learn in an unsupervised manner. Although various intrinsic reward formulations have been proposed, their implementation and optimization details are insufficiently explored and lack standardization, thereby hindering research progress. To address this gap, we introduce RLeXplore, a unified, highly modularized, and plug-and-play framework offering reliable implementations of eight state-of-the-art intrinsic reward methods. Furthermore, we conduct an in-depth study that identifies critical implementation details and establishes well-justified standard practices in intrinsically-motivated RL. Our documentation, examples, and source code are available at https://github.com/RLE-Foundation/RLeXplore.

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.

Patent novelty search systems are critical to IP protection and innovation assessment; their retrieval accuracy directly impacts patent quality. We propose a comprehensive evaluation methodology that builds high-quality, reproducible datasets from examiner citations and X-type citations extracted from technically consistent family patents, and evaluates systems using invention descriptions as inputs. Using Top-k Detection Rate and Recall as core metrics, we further conduct multi-dimensional analyses by language, technical field (IPC), and filing jurisdiction. Experiments show the method effectively exposes performance differences across scenarios and offers actionable evidence for system improvement. The framework is scalable and practical, providing a useful reference for development and optimization of patent novelty search systems

There has recently been a surge of work in explanatory artificial intelligence (XAI). This research area tackles the important problem that complex machines and algorithms often cannot provide insights into their behavior and thought processes. XAI allows users and parts of the internal system to be more transparent, providing explanations of their decisions in some level of detail. These explanations are important to ensure algorithmic fairness, identify potential bias/problems in the training data, and to ensure that the algorithms perform as expected. However, explanations produced by these systems is neither standardized nor systematically assessed. In an effort to create best practices and identify open challenges, we provide our definition of explainability and show how it can be used to classify existing literature. We discuss why current approaches to explanatory methods especially for deep neural networks are insufficient. Finally, based on our survey, we conclude with suggested future research directions for explanatory artificial intelligence.

In this work, we introduce a novel approach that equips LLM agents with introspection, enhancing consistency and adaptability in solving complex tasks. Our approach prompts LLM agents to decompose a given task into manageable subtasks (i.e., to make a plan), and to continuously introspect upon the suitability and results of their actions. We implement a three-fold introspective intervention: 1) anticipatory reflection on potential failures and alternative remedy before action execution, 2) post-action alignment with subtask objectives and backtracking with remedy to ensure utmost effort in plan execution, and 3) comprehensive review upon plan completion for future strategy refinement. By deploying and experimenting with this methodology - a zero-shot approach - within WebArena for practical tasks in web environments, our agent demonstrates superior performance over existing zero-shot methods. The experimental results suggest that our introspection-driven approach not only enhances the agent's ability to navigate unanticipated challenges through a robust mechanism of plan execution, but also improves efficiency by reducing the number of trials and plan revisions needed to achieve a task.

Recommending novel content, which expands user horizons by introducing them to new interests, has been shown to improve users' long-term experience on recommendation platforms chen2021values. Users however are not constantly looking to explore novel content. It is therefore crucial to understand their novelty-seeking intent and adjust the recommendation policy accordingly. Most existing literature models a user's propensity to choose novel content or to prefer a more diverse set of recommendations at individual interactions. Hierarchical structure, on the other hand, exists in a user's novelty-seeking intent, which is manifested as a static and intrinsic user preference for seeking novelty along with a dynamic session-based propensity. To this end, we propose a novel hierarchical reinforcement learning-based method to model the hierarchical user novelty-seeking intent, and to adapt the recommendation policy accordingly based on the extracted user novelty-seeking propensity. We further incorporate diversity and novelty-related measurement in the reward function of the hierarchical RL (HRL) agent to encourage user exploration chen2021values. We demonstrate the benefits of explicitly modeling hierarchical user novelty-seeking intent in recommendations through extensive experiments on simulated and real-world datasets. In particular, we demonstrate that the effectiveness of our proposed hierarchical RL-based method lies in its ability to capture such hierarchically-structured intent. As a result, the proposed HRL model achieves superior performance on several public datasets, compared with state-of-art baselines.

We consider the problem of recommending relevant content to users of an internet platform in the form of lists of items, called slates. We introduce a variational Bayesian Recurrent Neural Net recommender system that acts on time series of interactions between the internet platform and the user, and which scales to real world industrial situations. The recommender system is tested both online on real users, and on an offline dataset collected from a Norwegian web-based marketplace, FINN.no, that is made public for research. This is one of the first publicly available datasets which includes all the slates that are presented to users as well as which items (if any) in the slates were clicked on. Such a data set allows us to move beyond the common assumption that implicitly assumes that users are considering all possible items at each interaction. Instead we build our likelihood using the items that are actually in the slate, and evaluate the strengths and weaknesses of both approaches theoretically and in experiments. We also introduce a hierarchical prior for the item parameters based on group memberships. Both item parameters and user preferences are learned probabilistically. Furthermore, we combine our model with bandit strategies to ensure learning, and introduce `in-slate Thompson Sampling' which makes use of the slates to maximise explorative opportunities. We show experimentally that explorative recommender strategies perform on par or above their greedy counterparts. Even without making use of exploration to learn more effectively, click rates increase simply because of improved diversity in the recommended slates.

We advocate for a strong integration of Computational Creativity (CC) with research in large language and vision models (LLVMs) to address a key limitation of these models, i.e., creative problem solving. We present preliminary experiments showing how CC principles can be applied to address this limitation. Our goal is to foster discussions on creative problem solving in LLVMs and CC at prestigious ML venues. Our code is available at: https://github.com/lnairGT/creative-problem-solving-LLMs

Great scientists have strong judgement and foresight, closely tied to what we call scientific taste. Here, we use the term to refer to the capacity to judge and propose research ideas with high potential impact. However, most relative research focuses on improving an AI scientist's executive capability, while enhancing an AI's scientific taste remains underexplored. In this work, we propose Reinforcement Learning from Community Feedback (RLCF), a training paradigm that uses large-scale community signals as supervision, and formulate scientific taste learning as a preference modeling and alignment problem. For preference modeling, we train Scientific Judge on 700K field- and time-matched pairs of high- vs. low-citation papers to judge ideas. For preference alignment, using Scientific Judge as a reward model, we train a policy model, Scientific Thinker, to propose research ideas with high potential impact. Experiments show Scientific Judge outperforms SOTA LLMs (e.g., GPT-5.2, Gemini 3 Pro) and generalizes to future-year test, unseen fields, and peer-review preference. Furthermore, Scientific Thinker proposes research ideas with higher potential impact than baselines. Our findings show that AI can learn scientific taste, marking a key step toward reaching human-level AI scientists.

AI research agents can now generate research ideas, design experiments, run code, and draft papers, raising the possibility of large-scale AI-assisted scientific discovery. Many current agent frameworks explicitly encourage the generation of novel and high-impact ideas. Yet it remains unclear whether AI-assisted ideation broadens scientific exploration or mainly concentrates around existing work. We study AI research agents as scientific search systems. Using four AI research-agent frameworks and six large language models, we generate 37,802 scientific ideas from shared seed literature across citation-defined research areas in AI and machine learning. We then compare the resulting AI ideas against human-authored papers from the same research areas, follow-on human research emerging from the same seed literature, and the seed literature itself. Across experiments, four consistent patterns emerge. First, AI-generated ideas are substantially more concentrated than human-authored papers from the same research areas. Second, AI-generated ideas remain much closer to their starting literature than later human follow-on work does. Third, papers most similar to AI-generated ideas tend to receive lower subsequent citations. Fourth, when AI-generated ideas differ from prior work, the differences arise primarily from recombining existing technical methods rather than introducing fundamentally new research questions. Overall, current AI research agents appear better suited to local elaboration than to broadening scientific exploration.

Explainable Recommender System (ExRec) provides transparency to the recommendation process, increasing users' trust and boosting the operation of online services. With the rise of large language models (LLMs), whose extensive world knowledge and nuanced language understanding enable the generation of human-like, contextually grounded explanations, LLM-powered ExRec has gained great momentum. However, existing LLM-based ExRec models suffer from profile deviation and high retrieval overhead, hindering their deployment. To address these issues, we propose Retrieval-Augmented Recommendation Explanation Generation with Hierarchical Aggregation (REXHA). Specifically, we design a hierarchical aggregation based profiling module that comprehensively considers user and item review information, hierarchically summarizing and constructing holistic profiles. Furthermore, we introduce an efficient retrieval module using two types of pseudo-document queries to retrieve relevant reviews to enhance the generation of recommendation explanations, effectively reducing retrieval latency and improving the recall of relevant reviews. Extensive experiments demonstrate that our method outperforms existing approaches by up to 12.6% w.r.t. the explanation quality while achieving high retrieval efficiency.

Large language models (LLMs) have sparked growing interest in automatic machine learning research agents. Among them, agents capable of autonomously proposing ideas and conducting machine learning experiments are particularly promising, as they maximize research automation and accelerate scientific progress by iteratively refining ideas based on experimental results. However, comprehensively evaluating such agents remains challenging. Existing benchmarks tend to overemphasize engineering aspects while neglecting academic rigor, creating barriers that obscure a clear assessment of an agent's scientific capabilities in machine learning research. They also suffer from limited task diversity, an overemphasis on application-oriented tasks over fundamental research problems, and limited scalability to realistic research settings. To address these limitations, we introduce FML-bench, a benchmark designed to evaluate automatic machine learning research agents on 8 diverse and fundamental machine learning research problems. It reduces coding burden, emphasizes fundamental problems rather than specific use cases, offers high task diversity, and is extensible to real-world machine learning GitHub repositories. Furthermore, we present a unified evaluation framework with five complementary metrics, designed to comprehensively assess agent performance on our benchmark. We evaluate state-of-the-art automatic research agents on FML-bench, and find that agents employing broad research exploration strategies outperform those focusing on narrow but deep exploration. These findings suggest that emphasizing the breadth of exploration may lead to more effective research outcomes than focusing solely on incremental refinement. Our benchmark is available at https://github.com/qrzou/FML-bench.

Autonomous systems that generate scientific hypotheses, conduct experiments, and draft manuscripts have recently emerged as a promising paradigm for accelerating discovery. However, existing AI Scientists remain largely domain-agnostic, limiting their applicability to clinical medicine, where research is required to be grounded in medical evidence with specialized data modalities. In this work, we introduce Medical AI Scientist, the first autonomous research framework tailored to clinical autonomous research. It enables clinically grounded ideation by transforming extensively surveyed literature into actionable evidence through clinician-engineer co-reasoning mechanism, which improves the traceability of generated research ideas. It further facilitates evidence-grounded manuscript drafting guided by structured medical compositional conventions and ethical policies. The framework operates under 3 research modes, namely paper-based reproduction, literature-inspired innovation, and task-driven exploration, each corresponding to a distinct level of automated scientific inquiry with progressively increasing autonomy. Comprehensive evaluations by both large language models and human experts demonstrate that the ideas generated by the Medical AI Scientist are of substantially higher quality than those produced by commercial LLMs across 171 cases, 19 clinical tasks, and 6 data modalities. Meanwhile, our system achieves strong alignment between the proposed method and its implementation, while also demonstrating significantly higher success rates in executable experiments. Double-blind evaluations by human experts and the Stanford Agentic Reviewer suggest that the generated manuscripts approach MICCAI-level quality, while consistently surpassing those from ISBI and BIBM. The proposed Medical AI Scientist highlights the potential of leveraging AI for autonomous scientific discovery in healthcare.

Recommendation algorithm iteration is moving from an artisanal, engineer-bound process toward an industrialized research loop, but this transition remains blocked by a structural execution bottleneck: the idea-to-launch cycle still depends on human engineers to generate hypotheses, modify production code, launch A/B experiments, and attribute online results. Innovation therefore scales linearly with headcount rather than compounding with evidence, compute, and accumulated experimental knowledge. We present AgentX, a production-deployed multi-agent system that fundamentally restructures this production function. AgentX operates as a self-evolving development engine: it autonomously generates, implements, evaluates, and learns from recommendation experiments at a scale and pace that no manual workflow can sustain. The system orchestrates four tightly coupled stages in a closed loop. A Brainstorm Agent synthesizes evidence from historical experiments, system architecture, data analysis, and external research into ranked, executable proposals. A Developing Agent translates each proposal into production-ready code through repository-grounded generation and multi-dimensional reliability verification. An Evaluation Agent conducts safe online rollout with guardrail-vetoed A/B judgment, converting both successes and failures into structured knowledge assets. A Harness Evolution layer (SGPO) then distills execution trajectories into semantic-gradient updates that continuously sharpen the agents themselves -- making the system not merely automated, but self-improving.

The discovery of novel methodologies for emerging problems is a continuing cycle in ML, often driven by the migration of techniques across domains. Building on this observation, we ask whether current LLM ideation systems benefit from targeted cross-domain retrieval or simply from exposure to diverse mechanisms. We study this question through PaperGym, a three-stage pipeline: (1) tool-augmented seed extraction via read, grep, and bash over an isolated paper environment, (2) cross-domain seed retrieval via paraphrasing across seven ML domains, and (3) method synthesis from retrieved seeds, each scored by rubric-based judges. Tool-augmented extraction improves specificity, and paraphrase-based retrieval broadens domain coverage. In synthesis, cross-domain retrieval receives more pairwise novelty wins than no-retrieval and same-domain baselines, but shows no significant difference from a random diverse-seed control. These findings suggest LLM ideation systems benefit from diverse seed exposure, but do not yet reliably exploit the semantic reason particular seeds were retrieved. We release the seed library, rubric prompts, and run scripts at https://github.com/yunjoochoi/PaperGym

Budget-constrained agentic search arises when an LLM agent must refine candidates under a small evaluation budget, because validation is expensive, generation requires multiple model calls, or both. In this regime, standard MCTS allocates budget poorly: exploration bonuses dominate at low visit counts, unpromising siblings are expanded before promising chains can deepen, and branching is independent of node quality. We introduce ExTS, a tree-search policy that treats expansion itself as a value-of-information decision. ExTS combines three mechanisms: discriminative reward shaping to separate candidates under narrow score distributions, a stochastic virtual child that estimates the value of creating a new branch from the parent's reward history, and quality-conditioned branching that expands only when a node's score justifies the budget cost. Across prompt optimization, code generation, molecular structure elucidation, and agentic workflow optimization, ExTS is competitive with or improves over task-specific tree-search baselines, with an average relative gain of +5.5% using a single fixed configuration. We further introduce pilot-run diagnostics that characterize what makes budget-constrained agentic search problems structurally different from one another, providing both understanding of the problem space and practical guidance for adaptation.

We introduce DrawTalking, an approach to building and controlling interactive worlds by sketching and speaking while telling stories. It emphasizes user control and flexibility, and gives programming-like capability without requiring code. An early open-ended study with our prototype shows that the mechanics resonate and are applicable to many creative-exploratory use cases, with the potential to inspire and inform research in future natural interfaces for creative exploration and authoring.

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.

Ensuring sufficient exploration is a central challenge when training meta-reinforcement learning (meta-RL) agents to solve novel environments. Conventional solutions to the exploration-exploitation dilemma inject explicit incentives such as randomization, uncertainty bonuses, or intrinsic rewards to encourage exploration. In this work, we hypothesize that an agent trained solely to maximize a greedy (exploitation-only) objective can nonetheless exhibit emergent exploratory behavior, provided three conditions are met: (1) Recurring Environmental Structure, where the environment features repeatable regularities that allow past experience to inform future choices; (2) Agent Memory, enabling the agent to retain and utilize historical interaction data; and (3) Long-Horizon Credit Assignment, where learning propagates returns over a time frame sufficient for the delayed benefits of exploration to inform current decisions. Through experiments in stochastic multi-armed bandits and temporally extended gridworlds, we observe that, when both structure and memory are present, a policy trained on a strictly greedy objective exhibits information-seeking exploratory behavior. We further demonstrate, through controlled ablations, that emergent exploration vanishes if either environmental structure or agent memory is absent (Conditions 1 & 2). Surprisingly, removing long-horizon credit assignment (Condition 3) does not always prevent emergent exploration-a result we attribute to the pseudo-Thompson Sampling effect. These findings suggest that, under the right prerequisites, exploration and exploitation need not be treated as orthogonal objectives but can emerge from a unified reward-maximization process.

We introduce ``Idea to Image,'' a system that enables multimodal iterative self-refinement with GPT-4V(ision) for automatic image design and generation. Humans can quickly identify the characteristics of different text-to-image (T2I) models via iterative explorations. This enables them to efficiently convert their high-level generation ideas into effective T2I prompts that can produce good images. We investigate if systems based on large multimodal models (LMMs) can develop analogous multimodal self-refinement abilities that enable exploring unknown models or environments via self-refining tries. Idea2Img cyclically generates revised T2I prompts to synthesize draft images, and provides directional feedback for prompt revision, both conditioned on its memory of the probed T2I model's characteristics. The iterative self-refinement brings Idea2Img various advantages over vanilla T2I models. Notably, Idea2Img can process input ideas with interleaved image-text sequences, follow ideas with design instructions, and generate images of better semantic and visual qualities. The user preference study validates the efficacy of multimodal iterative self-refinement on automatic image design and generation.

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this process. We explore the potential of LLMs to generate viable hypotheses that, once validated, can expedite materials discovery. Collaborating with materials science experts, we curated a novel dataset from recent journal publications, featuring real-world goals, constraints, and methods for designing real-world applications. Using this dataset, we test LLM-based agents that generate hypotheses for achieving given goals under specific constraints. To assess the relevance and quality of these hypotheses, we propose a novel scalable evaluation metric that emulates the process a materials scientist would use to evaluate a hypothesis critically. Our curated dataset, proposed method, and evaluation framework aim to advance future research in accelerating materials discovery and design with LLMs.

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.

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.

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.

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.

AI systems can now cheaply generate plausible scientific artifacts such as papers, reviews, and surveys. This creates a risk of epistemic pollution in our scientific systems, where unreliable but plausible-looking artifacts can accumulate faster than the system can filter them out. The problem is structural: the epistemic infrastructure of science was calibrated to a world where producing a plausible artifact required substantial expertise, labor, and time, so generation cost itself served as a rough filter; AI weakens that filter without comparably lowering verification cost. We argue that AI-era science should treat this as an engineering problem: redesigning epistemic infrastructure to rebalance the costs of generation and verification. The current paper-centered system makes verification expensive: papers compress long-context scientific logic into prose, forcing reviewers, human or AI, to reconstruct underlying argument structure before they can evaluate it. As one step in this direction, we propose blueprints as preliminary epistemic infrastructure: structured, decomposed research artifacts that represent claims, evidence, assumptions, and definitions as typed graph components. Blueprints are designed to trade an upfront generation cost for cheaper, more local, more distributed verification downstream. We have instantiated the proposal in a proof-of-concept prototype.

Large language models (LLMs) hold great potential for many natural language applications but risk generating incorrect or toxic content. To probe when an LLM generates unwanted content, the current paradigm is to recruit a red team of human testers to design input prompts (i.e., test cases) that elicit undesirable responses from LLMs. However, relying solely on human testers is expensive and time-consuming. Recent works automate red teaming by training a separate red team LLM with reinforcement learning (RL) to generate test cases that maximize the chance of eliciting undesirable responses from the target LLM. However, current RL methods are only able to generate a small number of effective test cases resulting in a low coverage of the span of prompts that elicit undesirable responses from the target LLM. To overcome this limitation, we draw a connection between the problem of increasing the coverage of generated test cases and the well-studied approach of curiosity-driven exploration that optimizes for novelty. Our method of curiosity-driven red teaming (CRT) achieves greater coverage of test cases while mantaining or increasing their effectiveness compared to existing methods. Our method, CRT successfully provokes toxic responses from LLaMA2 model that has been heavily fine-tuned using human preferences to avoid toxic outputs. Code is available at https://github.com/Improbable-AI/curiosity_redteam

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.

Scientific research involves complex information-seeking and reasoning workflows across heterogeneous sources. However, existing benchmarks primarily emphasize general-domain retrieval or static scientific question answering, and therefore fail to assess key capabilities required in realistic scientific research workflows. We introduce SciExplore, a benchmark designed to evaluate scientific information-seeking and reasoning capabilities of LLMs and agents. SciExplore comprises four task types covering 103 expert-curated tasks across more than ten scientific disciplines: scientific database navigation, ambiguous literature retrieval, missing reference completion, and cross-source structured knowledge synthesis, which probe progressively higher-level abilities from entity-level reasoning and document-level identification to evidence-level grounding and domain-level synthesis. We evaluate over ten state-of-the-art LLMs and autonomous agents on SciExplore, revealing substantial performance gaps with performance degrading sharply as task complexity increases and extremely low accuracy on the most challenging structured synthesis tasks. These results highlight significant limitations of current models and agents in realistic scientific information-seeking scenarios.

The exponential growth of scientific literature necessitates advanced tools for effective knowledge exploration. We present Knowledge Navigator, a system designed to enhance exploratory search abilities by organizing and structuring the retrieved documents from broad topical queries into a navigable, two-level hierarchy of named and descriptive scientific topics and subtopics. This structured organization provides an overall view of the research themes in a domain, while also enabling iterative search and deeper knowledge discovery within specific subtopics by allowing users to refine their focus and retrieve additional relevant documents. Knowledge Navigator combines LLM capabilities with cluster-based methods to enable an effective browsing method. We demonstrate our approach's effectiveness through automatic and manual evaluations on two novel benchmarks, CLUSTREC-COVID and SCITOC. Our code, prompts, and benchmarks are made publicly available.

Literature reviews are an essential component of scientific research, but they remain time-intensive and challenging to write, especially due to the recent influx of research papers. This paper explores the zero-shot abilities of recent Large Language Models (LLMs) in assisting with the writing of literature reviews based on an abstract. We decompose the task into two components: 1. Retrieving related works given a query abstract, and 2. Writing a literature review based on the retrieved results. We analyze how effective LLMs are for both components. For retrieval, we introduce a novel two-step search strategy that first uses an LLM to extract meaningful keywords from the abstract of a paper and then retrieves potentially relevant papers by querying an external knowledge base. Additionally, we study a prompting-based re-ranking mechanism with attribution and show that re-ranking doubles the normalized recall compared to naive search methods, while providing insights into the LLM's decision-making process. In the generation phase, we propose a two-step approach that first outlines a plan for the review and then executes steps in the plan to generate the actual review. To evaluate different LLM-based literature review methods, we create test sets from arXiv papers using a protocol designed for rolling use with newly released LLMs to avoid test set contamination in zero-shot evaluations. We release this evaluation protocol to promote additional research and development in this regard. Our empirical results suggest that LLMs show promising potential for writing literature reviews when the task is decomposed into smaller components of retrieval and planning. Our project page including a demonstration system and toolkit can be accessed here: https://litllm.github.io.

Diffusion models have emerged as powerful generative models capable of producing high-quality contents such as images, videos, and audio, demonstrating their potential to revolutionize digital content creation. However, these capabilities come at the cost of their significant computational resources and lengthy generation time, underscoring the critical need to develop efficient techniques for practical deployment. In this survey, we provide a systematic and comprehensive review of research on efficient diffusion models. We organize the literature in a taxonomy consisting of three main categories, covering distinct yet interconnected efficient diffusion model topics from algorithm-level, system-level, and framework perspective, respectively. We have also created a GitHub repository where we organize the papers featured in this survey at https://github.com/AIoT-MLSys-Lab/Efficient-Diffusion-Model-Survey. We hope our survey can serve as a valuable resource to help researchers and practitioners gain a systematic understanding of efficient diffusion model research and inspire them to contribute to this important and exciting field.

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.

We are in the midst of large-scale industrial and academic efforts to automate the processes of scientific, technological and creative production through AI-driven assistants. Historically, a fundamental property of these processes in their human form has been their open-endedness: their capacity for generating a seemingly endless supply of novel and meaningful new forms. Do artificial agents have any capacity for such fruitful unguided discovery? To answer this question, we turn to Picbreeder, the canonical exemplar of human-driven open-ended search, in which users collaboratively generated a diverse library of images through interactive evolution of small neural networks. We replicate Picbreeder, replacing human users with frontier Vision Language Models (VLMs). We observe clear qualitative differences between the output of our system and the historical human baseline, and attempt to characterize them using metrics of phylogenetic complexity and visual and semantic salience and novelty. In an effort to identify some of the causal factors contributing these differences, we study the addition of exploratory noise to the agents' selection process, of behavioral diversity between agents, and of narrative momentum in the form of memory of past actions. We make our code available at https://github.com/smearle/picbreeder-vlm.

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.

LLMs have immense potential for generating plans, transforming an initial world state into a desired goal state. A large body of research has explored the use of LLMs for various planning tasks, from web navigation to travel planning and database querying. However, many of these systems are tailored to specific problems, making it challenging to compare them or determine the best approach for new tasks. There is also a lack of clear and consistent evaluation criteria. Our survey aims to offer a comprehensive overview of current LLM planners to fill this gap. It builds on foundational work by Kartam and Wilkins (1990) and examines six key performance criteria: completeness, executability, optimality, representation, generalization, and efficiency. For each, we provide a thorough analysis of representative works and highlight their strengths and weaknesses. Our paper also identifies crucial future directions, making it a valuable resource for both practitioners and newcomers interested in leveraging LLM planning to support agentic workflows.

Recommender systems must balance personalization, diversity, and robustness to cold-start scenarios to remain effective in dynamic content environments. This paper introduces an adaptive, exploration-based recommendation framework that adjusts to evolving user preferences and content distributions to promote diversity and novelty without compromising relevance. The system represents items using sentence-transformer embeddings and organizes them into semantically coherent clusters through an online algorithm with adaptive thresholding. A user-controlled exploration mechanism enhances diversity by selectively sampling from under-explored clusters. Experiments on the MovieLens dataset show that enabling exploration reduces intra-list similarity from 0.34 to 0.26 and increases unexpectedness to 0.73, outperforming collaborative filtering and popularity-based baselines. A/B testing with 300 simulated users reveals a strong link between interaction history and preference for diversity, with 72.7% of long-term users favoring exploratory recommendations. Computational analysis confirms that clustering and recommendation processes scale linearly with the number of clusters. These results demonstrate that adaptive exploration effectively mitigates over-specialization while preserving personalization and efficiency.

Conversational search is an approach to information retrieval (IR), where users engage in a dialogue with an agent in order to satisfy their information needs. Previous conceptual work described properties and actions a good agent should exhibit. Unlike them, we present a novel conceptual model defined in terms of conversational goals, which enables us to reason about current research practices in conversational search. Based on the literature, we elicit how existing tasks and test collections from the fields of IR, natural language processing (NLP) and dialogue systems (DS) fit into this model. We describe a set of characteristics that an ideal conversational search dataset should have. Lastly, we introduce MANtIS (the code and dataset are available at https://guzpenha.github.io/MANtIS/), a large-scale dataset containing multi-domain and grounded information seeking dialogues that fulfill all of our dataset desiderata. We provide baseline results for the conversation response ranking and user intent prediction tasks.

This paper introduces a novel Deep Researcher architecture designed to generate detailed research reports on complex PhD level topics by addressing the inherent limitations of the Parallel Scaling paradigm. Our system utilizes two key innovations: Sequential Research Plan Refinement via Reflection and a Candidates Crossover algorithm. The sequential refinement process is demonstrated as an efficient method that allows the agent to maintain a centralized Global Research Context, enabling it to look back at current progress, reason about the research plan, and intelligently make changes at runtime. This dynamic adaptation contrasts with parallel approaches, which often suffer from siloed knowledge. The Candidates Crossover algorithm further enhances search efficiency by deploying multiple LLM candidates with varied parameters to explore a larger search space, with their findings synthesized to curate a comprehensive final research response. The process concludes with One Shot Report Generation, ensuring the final document is informed by a unified narrative and high fact density. Powered by the Gemini 2.5 Pro model, our Deep Researcher was evaluated on the DeepResearch Bench, a globally recognized benchmark of 100 doctoral level research tasks. Our architecture achieved an overall score of 46.21, demonstrating superior performance by surpassing leading deep research agents such as Claude Researcher, Nvidia AIQ Research Assistant, Perplexity Research, Kimi Researcher and Grok Deeper Search present on the DeepResearch Bench actively running leaderboard. This performance marginally exceeds our previous work, Static DRA, and reinforces the finding that sequential scaling consistently outperforms the parallel self consistency paradigm.

The rapid progress of large language models (LLMs) has sparked growing interest in building Artificial General Intelligence (AGI) within Graphical User Interface (GUI) environments. However, existing GUI agents based on LLMs or vision-language models (VLMs) often fail to generalize to novel environments and rely heavily on manually curated, diverse datasets. To overcome these limitations, we introduce ScreenExplorer, a VLM trained via Group Relative Policy Optimization(GRPO) in real, dynamic, and open-ended GUI environments. Innovatively, we introduced a world-model-based curiosity reward function to help the agent overcome the cold-start phase of exploration. Additionally, distilling experience streams further enhances the model's exploration capabilities. Our training framework enhances model exploration in open GUI environments, with trained models showing better environmental adaptation and sustained exploration compared to static deployment models. Our findings offer a scalable pathway toward AGI systems with self-improving capabilities in complex interactive settings.

Scientific discovery often involves optimising expensive-to-evaluate objectives over vast, structured, and open-ended hypothesis spaces, such as molecules, protein sequences, and computer programs. Generative models such as large language models (LLMs) provide expressive priors over such spaces, but their likelihoods and self-assessments are unreliable proxies for the objectives and calibrated epistemic uncertainty, especially for novel candidates outside the observed data distribution. We introduce the Large Discovery Model (LDM), an empirically grounded recurrent architecture that couples a generative model with a Bayesian non-parametric reward surrogate model. The generative model proposes and refines candidate designs, while the surrogate predicts their performance and quantifies uncertainty, yielding an uncertainty-aware value that guides candidate generation, refinement, and selection. The discovery memory and the surrogate model are continually updated as each new experimental observation arrives. We evaluate LDM on three scenarios spanning different design modalities and objectives, including neural-network training, antibody design, and molecular optimisation. Compared to LLM-only reflection or traditional statistical search across these domains, LDM achieves a 2.4times greater reduction in validation BPB, an 18.2% relative decrease in binding energy, and more than 60% relative gains in molecular multi-objective performance. These results suggests that LDM could serve as a general-purpose discovery engine for effective search over open-ended hypothesis spaces.

In recent years, the rapid advancement of Large Language Models (LLMs) has transformed the landscape of scientific research, offering unprecedented support across various stages of the research cycle. This paper presents the first systematic survey dedicated to exploring how LLMs are revolutionizing the scientific research process. We analyze the unique roles LLMs play across four critical stages of research: hypothesis discovery, experiment planning and implementation, scientific writing, and peer reviewing. Our review comprehensively showcases the task-specific methodologies and evaluation benchmarks. By identifying current challenges and proposing future research directions, this survey not only highlights the transformative potential of LLMs, but also aims to inspire and guide researchers and practitioners in leveraging LLMs to advance scientific inquiry. Resources are available at the following repository: https://github.com/du-nlp-lab/LLM4SR

In this extended abstract, we propose a novel research topic in the field of agentic AI, which we refer to as self-coding information systems. These systems will be able to dynamically adapt their structure or behavior by evaluating potential adaptation decisions, generate source code, test, and (re)deploy their source code autonomously, at runtime, reducing the time to market of new features. Here we motivate the topic, provide a formal definition of self-coding information systems, discuss some expected impacts of the new technology, and indicate potential research directions.

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.

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

This paper introduces 26 guiding principles designed to streamline the process of querying and prompting large language models. Our goal is to simplify the underlying concepts of formulating questions for various scales of large language models, examining their abilities, and enhancing user comprehension on the behaviors of different scales of large language models when feeding into different prompts. Extensive experiments are conducted on LLaMA-1/2 (7B, 13B and 70B), GPT-3.5/4 to verify the effectiveness of the proposed principles on instructions and prompts design. We hope that this work can provide a better guide for researchers working on the prompting of large language models. Project page is available at https://github.com/VILA-Lab/ATLAS.

End-to-end task-oriented dialogue (EToD) can directly generate responses in an end-to-end fashion without modular training, which attracts escalating popularity. The advancement of deep neural networks, especially the successful use of large pre-trained models, has further led to significant progress in EToD research in recent years. In this paper, we present a thorough review and provide a unified perspective to summarize existing approaches as well as recent trends to advance the development of EToD research. The contributions of this paper can be summarized: (1) \textit{First survey}: to our knowledge, we take the first step to present a thorough survey of this research field; (2) \textit{New taxonomy}: we first introduce a unified perspective for EToD, including (i) Modularly EToD and (ii) Fully EToD; (3) \textit{New Frontiers}: we discuss some potential frontier areas as well as the corresponding challenges, hoping to spur breakthrough research in EToD field; (4) \textit{Abundant resources}: we build a public websiteWe collect the related papers, baseline projects, and leaderboards for the community at \url{https://etods.net/.}, where EToD researchers could directly access the recent progress. We hope this work can serve as a thorough reference for the EToD research community.

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research quality, we introduce Agent Laboratory, an autonomous LLM-based framework capable of completing the entire research process. This framework accepts a human-provided research idea and progresses through three stages--literature review, experimentation, and report writing to produce comprehensive research outputs, including a code repository and a research report, while enabling users to provide feedback and guidance at each stage. We deploy Agent Laboratory with various state-of-the-art LLMs and invite multiple researchers to assess its quality by participating in a survey, providing human feedback to guide the research process, and then evaluate the final paper. We found that: (1) Agent Laboratory driven by o1-preview generates the best research outcomes; (2) The generated machine learning code is able to achieve state-of-the-art performance compared to existing methods; (3) Human involvement, providing feedback at each stage, significantly improves the overall quality of research; (4) Agent Laboratory significantly reduces research expenses, achieving an 84% decrease compared to previous autonomous research methods. We hope Agent Laboratory enables researchers to allocate more effort toward creative ideation rather than low-level coding and writing, ultimately accelerating scientific discovery.

The Patent-Based Idea Generation task asks systems to turn real patents into product ideas viable within three years. We propose MK2, a prompt-centric pipeline: Gemini 2.5 drafts and iteratively edits a prompt, grafting useful fragments from weaker outputs; GPT-4.1 then uses this prompt to create one idea per patent, and an Elo loop judged by Qwen3-8B selects the best prompt-all without extra training data. Across three domains, two evaluator types, and six criteria, MK2 topped the automatic leaderboard and won 25 of 36 tests. Only the materials-chemistry track lagged, indicating the need for deeper domain grounding; yet, the results show that lightweight prompt engineering has already delivered competitive, commercially relevant ideation from patents.

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as an impressive class of deep generative models, sparking extensive research and leading to numerous studies on their application to molecular generative tasks. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. Particularly, due to the diversity of diffusion model formulations, molecular data modalities, and generative task types, the research landscape is challenging to navigate, hindering understanding and limiting the area's growth. To address this, this paper conducts a comprehensive survey of diffusion model-based molecular generative methods. We systematically review the research from the perspectives of methodological formulations, data modalities, and task types, offering a novel taxonomy. This survey aims to facilitate understanding and further flourishing development in this area. The relevant papers are summarized at: https://github.com/AzureLeon1/awesome-molecular-diffusion-models.

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback and grounding it with language to propel advancements in physical scientific discovery. Conversely, human scientists undertake scientific discovery by formulating hypotheses, conducting experiments, and revising theories through observational analysis. Inspired by this, we propose to enhance the knowledge-driven, abstract reasoning abilities of LLMs with the computational strength of simulations. We introduce Scientific Generative Agent (SGA), a bilevel optimization framework: LLMs act as knowledgeable and versatile thinkers, proposing scientific hypotheses and reason about discrete components, such as physics equations or molecule structures; meanwhile, simulations function as experimental platforms, providing observational feedback and optimizing via differentiability for continuous parts, such as physical parameters. We conduct extensive experiments to demonstrate our framework's efficacy in constitutive law discovery and molecular design, unveiling novel solutions that differ from conventional human expectations yet remain coherent upon analysis.

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

Recommender Systems are built to retrieve relevant items to satisfy users' information needs. The candidate corpus usually consists of a finite set of items that are ready to be served, such as videos, products, or articles. With recent advances in Generative AI such as GPT and Diffusion models, a new form of recommendation task is yet to be explored where items are to be created by generative models with personalized prompts. Taking image generation as an example, with a single prompt from the user and access to a generative model, it is possible to generate hundreds of new images in a few minutes. How shall we attain personalization in the presence of "infinite" items? In this preliminary study, we propose a two-stage framework, namely Prompt-Model Retrieval and Generated Item Ranking, to approach this new task formulation. We release GEMRec-18K, a prompt-model interaction dataset with 18K images generated by 200 publicly-available generative models paired with a diverse set of 90 textual prompts. Our findings demonstrate the promise of generative model recommendation as a novel personalization problem and the limitations of existing evaluation metrics. We highlight future directions for the RecSys community to advance towards generative recommender systems. Our code and dataset are available at https://github.com/MAPS-research/GEMRec.

The standard post-training recipe for large reasoning models, supervised fine-tuning followed by reinforcement learning (SFT-then-RL), may limit the benefits of the RL stage: while SFT imitates expert demonstrations, it often causes overconfidence and reduces generation diversity, leaving RL with a narrowed solution space to explore. Adding entropy regularization during SFT is not a cure-all; it tends to flatten token distributions toward uniformity, increasing entropy without improving meaningful exploration capability. In this paper, we propose CurioSFT, an entropy-preserving SFT method designed to enhance exploration capabilities through intrinsic curiosity. It consists of (a) Self-Exploratory Distillation, which distills the model toward a self-generated, temperature-scaled teacher to encourage exploration within its capability; and (b) Entropy-Guided Temperature Selection, which adaptively adjusts distillation strength to mitigate knowledge forgetting by amplifying exploration at reasoning tokens while stabilizing factual tokens. Extensive experiments on mathematical reasoning tasks demonstrate that, in SFT stage, CurioSFT outperforms the vanilla SFT by 2.5 points on in-distribution tasks and 2.9 points on out-of-distribution tasks. We also verify that exploration capabilities preserved during SFT successfully translate into concrete gains in RL stage, yielding an average improvement of 5.0 points.

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.

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.

LLMs are increasingly used to generate and judge scientific ideas. This makes novelty evaluation a central problem. Full idea evaluation is difficult because it often requires judging a method, its feasibility, and its empirical promise. We therefore study a cleaner upstream object: the research question (RQ). RQ generation is a prerequisite for scientific ideation, and RQs can be compared against questions pursued in real papers. We introduce RQ-Bench, a benchmark built from recent arXiv papers. For each paper, we reconstruct author-anchored RQs from its cited background, gaps, and contributions. These RQs are not the only valid questions for the same background. They are author-anchored reference points for testing novelty judgments. We evaluate model-generated RQs with standalone LLM judging, comparative LLM judging, and human expert evaluation. LLM judges consistently rate model-generated RQs as highly novel, producing a novelty mirage; in comparative evaluations, this preference becomes even stronger. Domain experts, however, reach the opposite conclusion and prefer the author-anchored reference questions. We further find that many generated RQs are narrow or source-bound, a dimension that LLM judges often miss unless explicitly tested. Overall, the contradictory novelty evaluations between LLM judges and human experts raise a serious concern about the reliability of using LLMs to assess the scientific novelty of research questions.

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