Daily Papers

This paper examines the encoding of analogy in large-scale pretrained language models, such as BERT and GPT-2. Existing analogy datasets typically focus on a limited set of analogical relations, with a high similarity of the two domains between which the analogy holds. As a more realistic setup, we introduce the Scientific and Creative Analogy dataset (SCAN), a novel analogy dataset containing systematic mappings of multiple attributes and relational structures across dissimilar domains. Using this dataset, we test the analogical reasoning capabilities of several widely-used pretrained language models (LMs). We find that state-of-the-art LMs achieve low performance on these complex analogy tasks, highlighting the challenges still posed by analogy understanding.

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.

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.

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/.

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.

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.

Over the past decade, analogies, in the form of word-level analogies, have played a significant role as an intrinsic measure of evaluating the quality of word embedding methods such as word2vec. Modern large language models (LLMs), however, are primarily evaluated on extrinsic measures based on benchmarks such as GLUE and SuperGLUE, and there are only a few investigations on whether LLMs can draw analogies between long texts. In this paper, we present ANALOGICAL, a new benchmark to intrinsically evaluate LLMs across a taxonomy of analogies of long text with six levels of complexity -- (i) word, (ii) word vs. sentence, (iii) syntactic, (iv) negation, (v) entailment, and (vi) metaphor. Using thirteen datasets and three different distance measures, we evaluate the abilities of eight LLMs in identifying analogical pairs in the semantic vector space. Our evaluation finds that it is increasingly challenging for LLMs to identify analogies when going up the analogy taxonomy.

A core process in human cognition is analogical mapping: the ability to identify a similar relational structure between different situations. We introduce a novel task, Visual Analogies of Situation Recognition, adapting the classical word-analogy task into the visual domain. Given a triplet of images, the task is to select an image candidate B' that completes the analogy (A to A' is like B to what?). Unlike previous work on visual analogy that focused on simple image transformations, we tackle complex analogies requiring understanding of scenes. We leverage situation recognition annotations and the CLIP model to generate a large set of 500k candidate analogies. Crowdsourced annotations for a sample of the data indicate that humans agree with the dataset label ~80% of the time (chance level 25%). Furthermore, we use human annotations to create a gold-standard dataset of 3,820 validated analogies. Our experiments demonstrate that state-of-the-art models do well when distractors are chosen randomly (~86%), but struggle with carefully chosen distractors (~53%, compared to 90% human accuracy). We hope our dataset will encourage the development of new analogy-making models. Website: https://vasr-dataset.github.io/

Recent advances in LLMs have made automated scientific research the next frontline in the path to artificial superintelligence. However, these systems are bound either to tasks of narrow scope or the limited creative capabilities of LLMs. We propose Spacer, a scientific discovery system that develops creative and factually grounded concepts without external intervention. Spacer attempts to achieve this via 'deliberate decontextualization,' an approach that disassembles information into atomic units - keywords - and draws creativity from unexplored connections between them. Spacer consists of (i) Nuri, an inspiration engine that builds keyword sets, and (ii) the Manifesting Pipeline that refines these sets into elaborate scientific statements. Nuri extracts novel, high-potential keyword sets from a keyword graph built with 180,000 academic publications in biological fields. The Manifesting Pipeline finds links between keywords, analyzes their logical structure, validates their plausibility, and ultimately drafts original scientific concepts. According to our experiments, the evaluation metric of Nuri accurately classifies high-impact publications with an AUROC score of 0.737. Our Manifesting Pipeline also successfully reconstructs core concepts from the latest top-journal articles solely from their keyword sets. An LLM-based scoring system estimates that this reconstruction was sound for over 85% of the cases. Finally, our embedding space analysis shows that outputs from Spacer are significantly more similar to leading publications compared with those from SOTA LLMs.

We present a new scientific document similarity model based on matching fine-grained aspects of texts. To train our model, we exploit a naturally-occurring source of supervision: sentences in the full-text of papers that cite multiple papers together (co-citations). Such co-citations not only reflect close paper relatedness, but also provide textual descriptions of how the co-cited papers are related. This novel form of textual supervision is used for learning to match aspects across papers. We develop multi-vector representations where vectors correspond to sentence-level aspects of documents, and present two methods for aspect matching: (1) A fast method that only matches single aspects, and (2) a method that makes sparse multiple matches with an Optimal Transport mechanism that computes an Earth Mover's Distance between aspects. Our approach improves performance on document similarity tasks in four datasets. Further, our fast single-match method achieves competitive results, paving the way for applying fine-grained similarity to large scientific corpora. Code, data, and models available at: https://github.com/allenai/aspire

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.

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.

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

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several datasets have been released for the yet understudied materials science domain. However, these datasets focus on sub-problems such as parsing synthesis procedures or on sub-domains, e.g., solid oxide fuel cells. In this resource paper, we present MuLMS, a new dataset of 50 open-access articles, spanning seven sub-domains of materials science. The corpus has been annotated by domain experts with several layers ranging from named entities over relations to frame structures. We present competitive neural models for all tasks and demonstrate that multi-task training with existing related resources leads to benefits.

Humanities scholars commonly provide evidence for claims that they make about a work of literature (e.g., a novel) in the form of quotations from the work. We collect a large-scale dataset (RELiC) of 78K literary quotations and surrounding critical analysis and use it to formulate the novel task of literary evidence retrieval, in which models are given an excerpt of literary analysis surrounding a masked quotation and asked to retrieve the quoted passage from the set of all passages in the work. Solving this retrieval task requires a deep understanding of complex literary and linguistic phenomena, which proves challenging to methods that overwhelmingly rely on lexical and semantic similarity matching. We implement a RoBERTa-based dense passage retriever for this task that outperforms existing pretrained information retrieval baselines; however, experiments and analysis by human domain experts indicate that there is substantial room for improvement over our dense retriever.

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

The ability to recognize analogies is fundamental to human cognition. Existing benchmarks to test word analogy do not reveal the underneath process of analogical reasoning of neural models. Holding the belief that models capable of reasoning should be right for the right reasons, we propose a first-of-its-kind Explainable Knowledge-intensive Analogical Reasoning benchmark (E-KAR). Our benchmark consists of 1,655 (in Chinese) and 1,251 (in English) problems sourced from the Civil Service Exams, which require intensive background knowledge to solve. More importantly, we design a free-text explanation scheme to explain whether an analogy should be drawn, and manually annotate them for each and every question and candidate answer. Empirical results suggest that this benchmark is very challenging for some state-of-the-art models for both explanation generation and analogical question answering tasks, which invites further research in this area.

We propose ParaSCI, the first large-scale paraphrase dataset in the scientific field, including 33,981 paraphrase pairs from ACL (ParaSCI-ACL) and 316,063 pairs from arXiv (ParaSCI-arXiv). Digging into characteristics and common patterns of scientific papers, we construct this dataset though intra-paper and inter-paper methods, such as collecting citations to the same paper or aggregating definitions by scientific terms. To take advantage of sentences paraphrased partially, we put up PDBERT as a general paraphrase discovering method. The major advantages of paraphrases in ParaSCI lie in the prominent length and textual diversity, which is complementary to existing paraphrase datasets. ParaSCI obtains satisfactory results on human evaluation and downstream tasks, especially long paraphrase generation.

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

The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models (LMMs) has heightened the demand for AI-based scientific assistants capable of understanding scientific articles and figures. Despite progress, there remains a significant gap in evaluating models' comprehension of professional, graduate-level, and even PhD-level scientific content. Current datasets and benchmarks primarily focus on relatively simple scientific tasks and figures, lacking comprehensive assessments across diverse advanced scientific disciplines. To bridge this gap, we collected a multimodal, multidisciplinary dataset from open-access scientific articles published in Nature Communications journals. This dataset spans 72 scientific disciplines, ensuring both diversity and quality. We created benchmarks with various tasks and settings to comprehensively evaluate LMMs' capabilities in understanding scientific figures and content. Our evaluation revealed that these tasks are highly challenging: many open-source models struggled significantly, and even GPT-4V and GPT-4o faced difficulties. We also explored using our dataset as training resources by constructing visual instruction-following data, enabling the 7B LLaVA model to achieve performance comparable to GPT-4V/o on our benchmark. Additionally, we investigated the use of our interleaved article texts and figure images for pre-training LMMs, resulting in improvements on the material generation task. The source dataset, including articles, figures, constructed benchmarks, and visual instruction-following data, is open-sourced.

Scientific reasoning is critical for developing AI scientists and supporting human researchers in advancing the frontiers of natural science discovery. However, the open-source community has primarily focused on mathematics and coding while neglecting the scientific domain, largely due to the absence of open, large-scale, high-quality, verifiable scientific reasoning datasets. To bridge this gap, we first present TextbookReasoning, an open dataset featuring truthful reference answers extracted from 12k university-level scientific textbooks, comprising 650k reasoning questions spanning 7 scientific disciplines. We further introduce MegaScience, a large-scale mixture of high-quality open-source datasets totaling 1.25 million instances, developed through systematic ablation studies that evaluate various data selection methodologies to identify the optimal subset for each publicly available scientific dataset. Meanwhile, we build a comprehensive evaluation system covering diverse subjects and question types across 15 benchmarks, incorporating comprehensive answer extraction strategies to ensure accurate evaluation metrics. Our experiments demonstrate that our datasets achieve superior performance and training efficiency with more concise response lengths compared to existing open-source scientific datasets. Furthermore, we train Llama3.1, Qwen2.5, and Qwen3 series base models on MegaScience, which significantly outperform the corresponding official instruct models in average performance. In addition, MegaScience exhibits greater effectiveness for larger and stronger models, suggesting a scaling benefit for scientific tuning. We release our data curation pipeline, evaluation system, datasets, and seven trained models to the community to advance scientific reasoning research.

Many methods now exist for conditioning model outputs on task instructions, retrieved documents, and user-provided explanations and feedback. Rather than relying solely on examples of task inputs and outputs, these approaches use valuable additional data for improving model correctness and aligning learned models with human priors. Meanwhile, a growing body of evidence suggests that some language models can (1) store a large amount of knowledge in their parameters, and (2) perform inference over tasks in textual inputs at test time. These results raise the possibility that, for some tasks, humans cannot explain to a model any more about the task than it already knows or could infer on its own. In this paper, we study the circumstances under which explanations of individual data points can (or cannot) improve modeling performance. In order to carefully control important properties of the data and explanations, we introduce a synthetic dataset for experiments, and we also make use of three existing datasets with explanations: e-SNLI, TACRED, and SemEval. We first give a formal framework for the available modeling approaches, in which explanation data can be used as model inputs, as targets, or as a prior. After arguing that the most promising role for explanation data is as model inputs, we propose to use a retrieval-based method and show that it solves our synthetic task with accuracies upwards of 95%, while baselines without explanation data achieve below 65% accuracy. We then identify properties of datasets for which retrieval-based modeling fails. With the three existing datasets, we find no improvements from explanation retrieval. Drawing on findings from our synthetic task, we suggest that at least one of six preconditions for successful modeling fails to hold with these datasets. Our code is publicly available at https://github.com/peterbhase/ExplanationRoles

Analogy-making between narratives is crucial for human reasoning. In this paper, we evaluate the ability to identify and generate analogies by constructing a first-of-its-kind large-scale story-level analogy corpus, StoryAnalogy, which contains 24K story pairs from diverse domains with human annotations on two similarities from the extended Structure-Mapping Theory. We design a set of tests on StoryAnalogy, presenting the first evaluation of story-level analogy identification and generation. Interestingly, we find that the analogy identification tasks are incredibly difficult not only for sentence embedding models but also for the recent large language models (LLMs) such as ChatGPT and LLaMa. ChatGPT, for example, only achieved around 30% accuracy in multiple-choice questions (compared to over 85% accuracy for humans). Furthermore, we observe that the data in StoryAnalogy can improve the quality of analogy generation in LLMs, where a fine-tuned FlanT5-xxl model achieves comparable performance to zero-shot ChatGPT.

Seeking answers to questions within long scientific research articles is a crucial area of study that aids readers in quickly addressing their inquiries. However, existing question-answering (QA) datasets based on scientific papers are limited in scale and focus solely on textual content. To address this limitation, we introduce SPIQA (Scientific Paper Image Question Answering), the first large-scale QA dataset specifically designed to interpret complex figures and tables within the context of scientific research articles across various domains of computer science. Leveraging the breadth of expertise and ability of multimodal large language models (MLLMs) to understand figures, we employ automatic and manual curation to create the dataset. We craft an information-seeking task involving multiple images that cover a wide variety of plots, charts, tables, schematic diagrams, and result visualizations. SPIQA comprises 270K questions divided into training, validation, and three different evaluation splits. Through extensive experiments with 12 prominent foundational models, we evaluate the ability of current multimodal systems to comprehend the nuanced aspects of research articles. Additionally, we propose a Chain-of-Thought (CoT) evaluation strategy with in-context retrieval that allows fine-grained, step-by-step assessment and improves model performance. We further explore the upper bounds of performance enhancement with additional textual information, highlighting its promising potential for future research and the dataset's impact on revolutionizing how we interact with scientific literature.

A patent must be deemed novel and non-obvious in order to be granted by the US Patent Office (USPTO). If it is not, a US patent examiner will cite the prior work, or prior art, that invalidates the novelty and issue a non-final rejection. Predicting what claims of the invention should change given the prior art is an essential and crucial step in securing invention rights, yet has not been studied before as a learnable task. In this work we introduce the PatentEdits dataset, which contains 105K examples of successful revisions that overcome objections to novelty. We design algorithms to label edits sentence by sentence, then establish how well these edits can be predicted with large language models (LLMs). We demonstrate that evaluating textual entailment between cited references and draft sentences is especially effective in predicting which inventive claims remained unchanged or are novel in relation to prior art.

"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.

A diversity of tasks use language models trained on semantic similarity data. While there are a variety of datasets that capture semantic similarity, they are either constructed from modern web data or are relatively small datasets created in the past decade by human annotators. This study utilizes a novel source, newly digitized articles from off-copyright, local U.S. newspapers, to assemble a massive-scale semantic similarity dataset spanning 70 years from 1920 to 1989 and containing nearly 400M positive semantic similarity pairs. Historically, around half of articles in U.S. local newspapers came from newswires like the Associated Press. While local papers reproduced articles from the newswire, they wrote their own headlines, which form abstractive summaries of the associated articles. We associate articles and their headlines by exploiting document layouts and language understanding. We then use deep neural methods to detect which articles are from the same underlying source, in the presence of substantial noise and abridgement. The headlines of reproduced articles form positive semantic similarity pairs. The resulting publicly available HEADLINES dataset is significantly larger than most existing semantic similarity datasets and covers a much longer span of time. It will facilitate the application of contrastively trained semantic similarity models to a variety of tasks, including the study of semantic change across space and time.

Distributed word representations, or word vectors, have recently been applied to many tasks in natural language processing, leading to state-of-the-art performance. A key ingredient to the successful application of these representations is to train them on very large corpora, and use these pre-trained models in downstream tasks. In this paper, we describe how we trained such high quality word representations for 157 languages. We used two sources of data to train these models: the free online encyclopedia Wikipedia and data from the common crawl project. We also introduce three new word analogy datasets to evaluate these word vectors, for French, Hindi and Polish. Finally, we evaluate our pre-trained word vectors on 10 languages for which evaluation datasets exists, showing very strong performance compared to previous models.

Making analogies is fundamental to cognition. Proportional analogies, which consist of four terms, are often used to assess linguistic and cognitive abilities. For instance, completing analogies like "Oxygen is to Gas as <blank> is to <blank>" requires identifying the semantic relationship (e.g., "type of") between the first pair of terms ("Oxygen" and "Gas") and finding a second pair that shares the same relationship (e.g., "Aluminum" and "Metal"). In this work, we introduce a 15K Multiple-Choice Question Answering (MCQA) dataset for proportional analogy completion and evaluate the performance of contemporary Large Language Models (LLMs) in various knowledge-enhanced prompt settings. Specifically, we augment prompts with three types of knowledge: exemplar, structured, and targeted. Our results show that despite extensive training data, solving proportional analogies remains challenging for current LLMs, with the best model achieving an accuracy of 55%. Notably, we find that providing targeted knowledge can better assist models in completing proportional analogies compared to providing exemplars or collections of structured knowledge.

We present a scientific reasoning foundation model that aligns natural language with heterogeneous scientific representations. The model is pretrained on a 206B-token corpus spanning scientific text, pure sequences, and sequence-text pairs, then aligned via SFT on 40M instructions, annealed cold-start bootstrapping to elicit long-form chain-of-thought, and reinforcement learning with task-specific reward shaping, which instills deliberate scientific reasoning. It supports four capability families, covering up to 103 tasks across workflows: (i) faithful translation between text and scientific formats, (ii) text/knowledge extraction, (iii) property prediction, (iv) property classification, (v) unconditional and conditional sequence generation and design. Compared with specialist systems, our approach broadens instruction coverage, improves cross-domain generalization, and enhances fidelity. We detail data curation and training and show that cross-discipline learning strengthens transfer and downstream reliability. The model, instruct tuning datasets and the evaluation code are open-sourced at https://huggingface.co/SciReason and https://github.com/open-sciencelab/SciReason.

We introduce a high-quality dataset that contains 3,397 samples comprising (i) multiple choice questions, (ii) answers (including distractors), and (iii) their source documents, from the educational domain. Each question is phrased in two forms, normal and close. Correct answers are linked to source documents with sentence-level annotations. Thus, our versatile dataset can be used for both question and distractor generation, as well as to explore new challenges such as question format conversion. Furthermore, 903 questions are accompanied by their cognitive complexity level as per Bloom's taxonomy. All questions have been generated by educational experts rather than crowd workers to ensure they are maintaining educational and learning standards. Our analysis and experiments suggest distinguishable differences between our dataset and commonly used ones for question generation for educational purposes. We believe this new dataset can serve as a valuable resource for research and evaluation in the educational domain. The dataset and baselines will be released to support further research in question generation.

Detecting salient parts in text using natural language processing has been widely used to mitigate the effects of information overflow. Nevertheless, most of the datasets available for this task are derived mainly from academic publications. We introduce SPACE-IDEAS, a dataset for salient information detection from innovation ideas related to the Space domain. The text in SPACE-IDEAS varies greatly and includes informal, technical, academic and business-oriented writing styles. In addition to a manually annotated dataset we release an extended version that is annotated using a large generative language model. We train different sentence and sequential sentence classifiers, and show that the automatically annotated dataset can be leveraged using multitask learning to train better classifiers.

We present SciRIFF (Scientific Resource for Instruction-Following and Finetuning), a dataset of 137K instruction-following demonstrations for 54 tasks covering five essential scientific literature understanding capabilities: information extraction, summarization, question answering, claim verification, and classification. SciRIFF demonstrations are notable for their long input contexts, detailed task specifications, and complex structured outputs. While instruction-following resources are available in specific domains such as clinical medicine and chemistry, SciRIFF is the first dataset focused on extracting and synthesizing information from research literature across a wide range of scientific fields. To demonstrate the utility of SciRIFF, we develop a sample-efficient strategy to adapt a general instruction-following model for science by performing additional finetuning on a mix of general-domain and SciRIFF demonstrations. In evaluations on nine held-out scientific tasks, our model -- called SciTulu -- improves over a strong LLM baseline by 28.1% and 6.5% at the 7B and 70B scales respectively, while maintaining general instruction-following performance within 2% of the baseline. We are optimistic that SciRIFF will facilitate the development and evaluation of LLMs to help researchers navigate the ever-growing body of scientific literature. We release our dataset, model checkpoints, and data processing and evaluation code to enable further research.

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. Recently, a plethora of new AI models and tools has been proposed, promising to empower researchers and academics worldwide to conduct their research more effectively and efficiently. This includes all aspects of the research cycle, especially (1) searching for relevant literature; (2) generating research ideas and conducting experimentation; generating (3) text-based and (4) multimodal content (e.g., scientific figures and diagrams); and (5) AI-based automatic peer review. In this survey, we provide an in-depth overview over these exciting recent developments, which promise to fundamentally alter the scientific research process for good. Our survey covers the five aspects outlined above, indicating relevant datasets, methods and results (including evaluation) as well as limitations and scope for future research. Ethical concerns regarding shortcomings of these tools and potential for misuse (fake science, plagiarism, harms to research integrity) take a particularly prominent place in our discussion. We hope that our survey will not only become a reference guide for newcomers to the field but also a catalyst for new AI-based initiatives in the area of "AI4Science".

Keeping track of scientific challenges, advances and emerging directions is a fundamental part of research. However, researchers face a flood of papers that hinders discovery of important knowledge. In biomedicine, this directly impacts human lives. To address this problem, we present a novel task of extraction and search of scientific challenges and directions, to facilitate rapid knowledge discovery. We construct and release an expert-annotated corpus of texts sampled from full-length papers, labeled with novel semantic categories that generalize across many types of challenges and directions. We focus on a large corpus of interdisciplinary work relating to the COVID-19 pandemic, ranging from biomedicine to areas such as AI and economics. We apply a model trained on our data to identify challenges and directions across the corpus and build a dedicated search engine. In experiments with 19 researchers and clinicians using our system, we outperform a popular scientific search engine in assisting knowledge discovery. Finally, we show that models trained on our resource generalize to the wider biomedical domain and to AI papers, highlighting its broad utility. We make our data, model and search engine publicly available. https://challenges.apps.allenai.org/

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

Scientific researchers need intensive information about datasets to effectively evaluate and develop theories and methodologies. The information needs regarding datasets are implicitly embedded in particular research tasks, rather than explicitly expressed in search queries. However, existing scientific retrieval and question-answering (QA) datasets typically address straightforward questions, which do not align with the distribution of real-world research inquiries. To bridge this gap, we developed ScIRGen, a dataset generation framework for scientific QA \& retrieval that more accurately reflects the information needs of professional science researchers, and uses it to create a large-scale scientific retrieval-augmented generation (RAG) dataset with realistic queries, datasets and papers. Technically, we designed a dataset-oriented information extraction method that leverages academic papers to augment the dataset representation. We then proposed a question generation framework by employing cognitive taxonomy to ensure the quality of synthesized questions. We also design a method to automatically filter synthetic answers based on the perplexity shift of LLMs, which is highly aligned with human judgment of answers' validity. Collectively, these methodologies culminated in the creation of the 61k QA dataset, ScIRGen-Geo. We benchmarked representative methods on the ScIRGen-Geo dataset for their question-answering and retrieval capabilities, finding out that current methods still suffer from reasoning from complex questions. This work advances the development of more sophisticated tools to support the intricate information needs of the scientific community.

The ability to connect visual patterns with the processes that form them represents one of the deepest forms of visual understanding. Textures of clouds and waves, the growth of cities and forests, or the formation of materials and landscapes are all examples of patterns emerging from underlying mechanisms. We present the Scitextures dataset, a large-scale collection of textures and visual patterns from all domains of science, tech, and art, along with the models and code that generate these images. Covering over 1,200 different models and 100,000 images of patterns and textures from physics, chemistry, biology, sociology, technology, mathematics, and art, this dataset offers a way to explore the connection between the visual patterns that shape our world and the mechanisms that produce them. Created by an agentic AI pipeline that autonomously collects and implements models in standardized form, we use SciTextures to evaluate the ability of leading AI models to link visual patterns to the models and code that generate them, and to identify different patterns that emerged from the same process. We also test AIs ability to infer and recreate the mechanisms behind visual patterns by providing a natural image of a real-world pattern and asking the AI to identify, model, and code the mechanism that formed the pattern, then run this code to generate a simulated image that is compared to the real image. These benchmarks show that vision-language models (VLMs) can understand and simulate the physical system beyond a visual pattern. The dataset and code are available at: https://zenodo.org/records/17485502

We introduce a new challenge to test the STEM skills of neural models. The problems in the real world often require solutions, combining knowledge from STEM (science, technology, engineering, and math). Unlike existing datasets, our dataset requires the understanding of multimodal vision-language information of STEM. Our dataset features one of the largest and most comprehensive datasets for the challenge. It includes 448 skills and 1,073,146 questions spanning all STEM subjects. Compared to existing datasets that often focus on examining expert-level ability, our dataset includes fundamental skills and questions designed based on the K-12 curriculum. We also add state-of-the-art foundation models such as CLIP and GPT-3.5-Turbo to our benchmark. Results show that the recent model advances only help master a very limited number of lower grade-level skills (2.5% in the third grade) in our dataset. In fact, these models are still well below (averaging 54.7%) the performance of elementary students, not to mention near expert-level performance. To understand and increase the performance on our dataset, we teach the models on a training split of our dataset. Even though we observe improved performance, the model performance remains relatively low compared to average elementary students. To solve STEM problems, we will need novel algorithmic innovations from the community.

Learning scientific document representations can be substantially improved through contrastive learning objectives, where the challenge lies in creating positive and negative training samples that encode the desired similarity semantics. Prior work relies on discrete citation relations to generate contrast samples. However, discrete citations enforce a hard cut-off to similarity. This is counter-intuitive to similarity-based learning, and ignores that scientific papers can be very similar despite lacking a direct citation - a core problem of finding related research. Instead, we use controlled nearest neighbor sampling over citation graph embeddings for contrastive learning. This control allows us to learn continuous similarity, to sample hard-to-learn negatives and positives, and also to avoid collisions between negative and positive samples by controlling the sampling margin between them. The resulting method SciNCL outperforms the state-of-the-art on the SciDocs benchmark. Furthermore, we demonstrate that it can train (or tune) models sample-efficiently, and that it can be combined with recent training-efficient methods. Perhaps surprisingly, even training a general-domain language model this way outperforms baselines pretrained in-domain.

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

Traditional document similarity measures provide a coarse-grained distinction between similar and dissimilar documents. Typically, they do not consider in what aspects two documents are similar. This limits the granularity of applications like recommender systems that rely on document similarity. In this paper, we extend similarity with aspect information by performing a pairwise document classification task. We evaluate our aspect-based document similarity for research papers. Paper citations indicate the aspect-based similarity, i.e., the section title in which a citation occurs acts as a label for the pair of citing and cited paper. We apply a series of Transformer models such as RoBERTa, ELECTRA, XLNet, and BERT variations and compare them to an LSTM baseline. We perform our experiments on two newly constructed datasets of 172,073 research paper pairs from the ACL Anthology and CORD-19 corpus. Our results show SciBERT as the best performing system. A qualitative examination validates our quantitative results. Our findings motivate future research of aspect-based document similarity and the development of a recommender system based on the evaluated techniques. We make our datasets, code, and trained models publicly available.

Learning semantically meaningful representations from scientific documents can facilitate academic literature search and improve performance of recommendation systems. Pre-trained language models have been shown to learn rich textual representations, yet they cannot provide powerful document-level representations for scientific articles. We propose MIReAD, a simple method that learns high-quality representations of scientific papers by fine-tuning transformer model to predict the target journal class based on the abstract. We train MIReAD on more than 500,000 PubMed and arXiv abstracts across over 2,000 journal classes. We show that MIReAD produces representations that can be used for similar papers retrieval, topic categorization and literature search. Our proposed approach outperforms six existing models for representation learning on scientific documents across four evaluation standards.

Citations in scientific papers not only help us trace the intellectual lineage but also are a useful indicator of the scientific significance of the work. Citation intents prove beneficial as they specify the role of the citation in a given context. In this paper, we present CitePrompt, a framework which uses the hitherto unexplored approach of prompt-based learning for citation intent classification. We argue that with the proper choice of the pretrained language model, the prompt template, and the prompt verbalizer, we can not only get results that are better than or comparable to those obtained with the state-of-the-art methods but also do it with much less exterior information about the scientific document. We report state-of-the-art results on the ACL-ARC dataset, and also show significant improvement on the SciCite dataset over all baseline models except one. As suitably large labelled datasets for citation intent classification can be quite hard to find, in a first, we propose the conversion of this task to the few-shot and zero-shot settings. For the ACL-ARC dataset, we report a 53.86% F1 score for the zero-shot setting, which improves to 63.61% and 66.99% for the 5-shot and 10-shot settings, respectively.

Pir\'a is a reading comprehension dataset focused on the ocean, the Brazilian coast, and climate change, built from a collection of scientific abstracts and reports on these topics. This dataset represents a versatile language resource, particularly useful for testing the ability of current machine learning models to acquire expert scientific knowledge. Despite its potential, a detailed set of baselines has not yet been developed for Pir\'a. By creating these baselines, researchers can more easily utilize Pir\'a as a resource for testing machine learning models across a wide range of question answering tasks. In this paper, we define six benchmarks over the Pir\'a dataset, covering closed generative question answering, machine reading comprehension, information retrieval, open question answering, answer triggering, and multiple choice question answering. As part of this effort, we have also produced a curated version of the original dataset, where we fixed a number of grammar issues, repetitions, and other shortcomings. Furthermore, the dataset has been extended in several new directions, so as to face the aforementioned benchmarks: translation of supporting texts from English into Portuguese, classification labels for answerability, automatic paraphrases of questions and answers, and multiple choice candidates. The results described in this paper provide several points of reference for researchers interested in exploring the challenges provided by the Pir\'a dataset.

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.

Human languages are full of metaphorical expressions. Metaphors help people understand the world by connecting new concepts and domains to more familiar ones. Large pre-trained language models (PLMs) are therefore assumed to encode metaphorical knowledge useful for NLP systems. In this paper, we investigate this hypothesis for PLMs, by probing metaphoricity information in their encodings, and by measuring the cross-lingual and cross-dataset generalization of this information. We present studies in multiple metaphor detection datasets and in four languages (i.e., English, Spanish, Russian, and Farsi). Our extensive experiments suggest that contextual representations in PLMs do encode metaphorical knowledge, and mostly in their middle layers. The knowledge is transferable between languages and datasets, especially when the annotation is consistent across training and testing sets. Our findings give helpful insights for both cognitive and NLP scientists.

The burgeoning utilization of Large Language Models (LLMs) in scientific research necessitates advanced benchmarks capable of evaluating their understanding and application of scientific knowledge comprehensively. To address this need, we introduce the SciKnowEval benchmark, a novel framework that systematically evaluates LLMs across five progressive levels of scientific knowledge: studying extensively, inquiring earnestly, thinking profoundly, discerning clearly, and practicing assiduously. These levels aim to assess the breadth and depth of scientific knowledge in LLMs, including knowledge coverage, inquiry and exploration capabilities, reflection and reasoning abilities, ethic and safety considerations, as well as practice proficiency. Specifically, we take biology and chemistry as the two instances of SciKnowEval and construct a dataset encompassing 50K multi-level scientific problems and solutions. By leveraging this dataset, we benchmark 20 leading open-source and proprietary LLMs using zero-shot and few-shot prompting strategies. The results reveal that despite achieving state-of-the-art performance, the proprietary LLMs still have considerable room for improvement, particularly in addressing scientific computations and applications. We anticipate that SciKnowEval will establish a comprehensive standard for benchmarking LLMs in science research and discovery, and promote the development of LLMs that integrate scientific knowledge with strong safety awareness. The dataset and code are publicly available at https://github.com/hicai-zju/sciknoweval .

Large language models (LLMs) are known to struggle with complicated reasoning tasks such as math word problems (MWPs). In this paper, we present how analogy from similarly structured questions can improve LLMs' problem-solving capabilities for MWPs. Specifically, we rely on the retrieval of problems with similar computational graphs to the given question to serve as exemplars in the prompt, providing the correct reasoning path for the generation model to refer to. Empirical results across six math word problem datasets demonstrate the effectiveness of our proposed method, which achieves a significant improvement of up to 6.7 percent on average in absolute value, compared to baseline methods. These results highlight our method's potential in addressing the reasoning challenges in current LLMs.

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a comprehensive, data-centric synthesis that reframes the development of Sci-LLMs as a co-evolution between models and their underlying data substrate. We formulate a unified taxonomy of scientific data and a hierarchical model of scientific knowledge, emphasizing the multimodal, cross-scale, and domain-specific challenges that differentiate scientific corpora from general natural language processing datasets. We systematically review recent Sci-LLMs, from general-purpose foundations to specialized models across diverse scientific disciplines, alongside an extensive analysis of over 270 pre-/post-training datasets, showing why Sci-LLMs pose distinct demands -- heterogeneous, multi-scale, uncertainty-laden corpora that require representations preserving domain invariance and enabling cross-modal reasoning. On evaluation, we examine over 190 benchmark datasets and trace a shift from static exams toward process- and discovery-oriented assessments with advanced evaluation protocols. These data-centric analyses highlight persistent issues in scientific data development and discuss emerging solutions involving semi-automated annotation pipelines and expert validation. Finally, we outline a paradigm shift toward closed-loop systems where autonomous agents based on Sci-LLMs actively experiment, validate, and contribute to a living, evolving knowledge base. Collectively, this work provides a roadmap for building trustworthy, continually evolving artificial intelligence (AI) systems that function as a true partner in accelerating scientific discovery.

Mathematical symbols and descriptions appear in various forms across document section boundaries without explicit markup. In this paper, we present a new large-scale dataset that emphasizes extracting symbols and descriptions in scientific documents. Symlink annotates scientific papers of 5 different domains (i.e., computer science, biology, physics, mathematics, and economics). Our experiments on Symlink demonstrate the challenges of the symbol-description linking task for existing models and call for further research effort in this area. We will publicly release Symlink to facilitate future research.

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

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

It is desirable to coarsely classify short scientific texts, such as grant or publication abstracts, for strategic insight or research portfolio management. These texts efficiently transmit dense information to experts possessing a rich body of knowledge to aid interpretation. Yet this task is remarkably difficult to automate because of brevity and the absence of context. To address this gap, we have developed a novel approach to generate and appropriately assign coarse domain-specific labels. We show that a Large Language Model (LLM) can provide metadata essential to the task, in a process akin to the augmentation of supplemental knowledge representing human intuition, and propose a workflow. As a pilot study, we use a corpus of award abstracts from the National Aeronautics and Space Administration (NASA). We develop new assessment tools in concert with established performance metrics.

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning, simulation, and experimentation, we still lack integrated AI systems capable of performing autonomous long-term scientific research and discovery. This paper examines the current state of AI for scientific discovery, highlighting recent progress in large language models and other AI techniques applied to scientific tasks. We then outline key challenges and promising research directions toward developing more comprehensive AI systems for scientific discovery, including the need for science-focused AI agents, improved benchmarks and evaluation metrics, multimodal scientific representations, and unified frameworks combining reasoning, theorem proving, and data-driven modeling. Addressing these challenges could lead to transformative AI tools to accelerate progress across disciplines towards scientific discovery.

Despite the recent proliferation of large language models (LLMs), their training recipes -- model architecture, pre-training data and optimization algorithm -- are often very similar. This naturally raises the question of the similarity among the resulting models. In this paper, we propose a novel setting, imaginary question answering (IQA), to better understand model similarity. In IQA, we ask one model to generate purely imaginary questions (e.g., on completely made-up concepts in physics) and prompt another model to answer. Surprisingly, despite the total fictionality of these questions, all models can answer each other's questions with remarkable success, suggesting a "shared imagination space" in which these models operate during such hallucinations. We conduct a series of investigations into this phenomenon and discuss implications on model homogeneity, hallucination, and computational creativity.

Building high-quality datasets for specialized tasks is a time-consuming and resource-intensive process that often requires specialized domain knowledge. We propose Corpus Retrieval and Augmentation for Fine-Tuning (CRAFT), a method for generating synthetic datasets, given a small number of user-written few-shots that demonstrate the task to be performed. Given the few-shot examples, we use large-scale public web-crawled corpora and similarity-based document retrieval to find other relevant human-written documents. Lastly, instruction-tuned large language models (LLMs) augment the retrieved documents into custom-formatted task samples, which then can be used for fine-tuning. We demonstrate that CRAFT can efficiently generate large-scale task-specific training datasets for four diverse tasks: biology question-answering (QA), medicine QA and commonsense QA as well as summarization. Our experiments show that CRAFT-based models outperform or achieve comparable performance to general LLMs for QA tasks, while CRAFT-based summarization models outperform models trained on human-curated data by 46 preference points.

This paper introduces a large-scale multimodal and multilingual dataset that aims to facilitate research on grounding words to images in their contextual usage in language. The dataset consists of images selected to unambiguously illustrate concepts expressed in sentences from movie subtitles. The dataset is a valuable resource as (i) the images are aligned to text fragments rather than whole sentences; (ii) multiple images are possible for a text fragment and a sentence; (iii) the sentences are free-form and real-world like; (iv) the parallel texts are multilingual. We set up a fill-in-the-blank game for humans to evaluate the quality of the automatic image selection process of our dataset. We show the utility of the dataset on two automatic tasks: (i) fill-in-the-blank; (ii) lexical translation. Results of the human evaluation and automatic models demonstrate that images can be a useful complement to the textual context. The dataset will benefit research on visual grounding of words especially in the context of free-form sentences, and can be obtained from https://doi.org/10.5281/zenodo.5034604 under a Creative Commons licence.

Idiomatic expressions have always been a bottleneck for language comprehension and natural language understanding, specifically for tasks like Machine Translation(MT). MT systems predominantly produce literal translations of idiomatic expressions as they do not exhibit generic and linguistically deterministic patterns which can be exploited for comprehension of the non-compositional meaning of the expressions. These expressions occur in parallel corpora used for training, but due to the comparatively high occurrences of the constituent words of idiomatic expressions in literal context, the idiomatic meaning gets overpowered by the compositional meaning of the expression. State of the art Metaphor Detection Systems are able to detect non-compositional usage at word level but miss out on idiosyncratic phrasal idiomatic expressions. This creates a dire need for a dataset with a wider coverage and higher occurrence of commonly occurring idiomatic expressions, the spans of which can be used for Metaphor Detection. With this in mind, we present our English Possible Idiomatic Expressions(EPIE) corpus containing 25206 sentences labelled with lexical instances of 717 idiomatic expressions. These spans also cover literal usages for the given set of idiomatic expressions. We also present the utility of our dataset by using it to train a sequence labelling module and testing on three independent datasets with high accuracy, precision and recall scores.

This study focuses on improving the performance of lightweight Large Language Models (LLMs) in mathematical reasoning tasks. We introduce a novel method for measuring mathematical logic similarity and design an automatic screening mechanism to construct a set of reference problems that integrate both semantic and logical similarity. By employing carefully crafted positive and negative example prompts, we guide the model towards adopting sound reasoning logic. To the best of our knowledge, this is the first attempt to utilize retrieval-enhanced generation for mathematical problem-solving. Experimental results demonstrate that our method achieves a 15.8% improvement over the Chain of Thought approach on the SVAMP dataset and a 21.5 % improvement on the GSM8K dataset. Further application of this method to a large-scale model with 175 billion parameters yields performance comparable to the best results on both aforementioned datasets. Finally, we conduct an analysis of errors during the reasoning process, providing valuable insights and directions for future research on reasoning tasks using large language models.

We present a meta-learning framework for learning new visual concepts quickly, from just one or a few examples, guided by multiple naturally occurring data streams: simultaneously looking at images, reading sentences that describe the objects in the scene, and interpreting supplemental sentences that relate the novel concept with other concepts. The learned concepts support downstream applications, such as answering questions by reasoning about unseen images. Our model, namely FALCON, represents individual visual concepts, such as colors and shapes, as axis-aligned boxes in a high-dimensional space (the "box embedding space"). Given an input image and its paired sentence, our model first resolves the referential expression in the sentence and associates the novel concept with particular objects in the scene. Next, our model interprets supplemental sentences to relate the novel concept with other known concepts, such as "X has property Y" or "X is a kind of Y". Finally, it infers an optimal box embedding for the novel concept that jointly 1) maximizes the likelihood of the observed instances in the image, and 2) satisfies the relationships between the novel concepts and the known ones. We demonstrate the effectiveness of our model on both synthetic and real-world datasets.

The exponential growth of scientific literature has made it increasingly difficult for researchers to keep up with the literature. In an attempt to alleviate this problem, we propose CASPER, a sparse retrieval model for scientific search that utilizes tokens and keyphrases as representation units (i.e. dimensions in the sparse embedding space), enabling it to represent queries and documents with research concepts and match them at both granular and conceptual levels. To overcome the lack of suitable training data, we propose mining training data by leveraging scholarly references (i.e. signals that capture how research concepts of papers are expressed in different settings), including titles, citation contexts, author-assigned keyphrases, and co-citations. CASPER outperforms strong dense and sparse retrieval baselines on eight scientific retrieval benchmarks. Moreover, we demonstrate that through simple post-processing, CASPER can be effectively used for the keyphrase generation tasks, achieving competitive performance with the established CopyRNN while producing more diverse keyphrases and being nearly four times faster.

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.

While static word embedding models are known to represent linguistic analogies as parallel lines in high-dimensional space, the underlying mechanism as to why they result in such geometric structures remains obscure. We find that an elementary contrastive-style method employed over distributional information performs competitively with popular word embedding models on analogy recovery tasks, while achieving dramatic speedups in training time. Further, we demonstrate that a contrastive loss is sufficient to create these parallel structures in word embeddings, and establish a precise relationship between the co-occurrence statistics and the geometric structure of the resulting word embeddings.

Large language models have demonstrated remarkable potential in various tasks, however, there remains a significant scarcity of open-source models and data for specific domains. Previous works have primarily focused on manually specifying resources and collecting high-quality data on specific domains, which significantly consume time and effort. To address this limitation, we propose an efficient data collection method~Query of CC based on large language models. This method bootstraps seed information through a large language model and retrieves related data from public corpora. It not only collects knowledge-related data for specific domains but unearths the data with potential reasoning procedures. Through the application of this method, we have curated a high-quality dataset called~Knowledge Pile, encompassing four major domains, including stem and humanities sciences, among others. Experimental results demonstrate that~Knowledge Pile significantly improves the performance of large language models in mathematical and knowledge-related reasoning ability tests. To facilitate academic sharing, we open-source our dataset and code, providing valuable support to the academic community.

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

In this paper, we investigate when and how visual representations learned by two different generative models diverge. Given two text-to-image models, our goal is to discover visual attributes that appear in images generated by one model but not the other, along with the types of prompts that trigger these attribute differences. For example, "flames" might appear in one model's outputs when given prompts expressing strong emotions, while the other model does not produce this attribute given the same prompts. We introduce CompCon (Comparing Concepts), an evolutionary search algorithm that discovers visual attributes more prevalent in one model's output than the other, and uncovers the prompt concepts linked to these visual differences. To evaluate CompCon's ability to find diverging representations, we create an automated data generation pipeline to produce ID2, a dataset of 60 input-dependent differences, and compare our approach to several LLM- and VLM-powered baselines. Finally, we use CompCon to compare popular text-to-image models, finding divergent representations such as how PixArt depicts prompts mentioning loneliness with wet streets and Stable Diffusion 3.5 depicts African American people in media professions. Code at: https://github.com/adobe-research/CompCon

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

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

The rise of large language models (LLMs) had a transformative impact on search, ushering in a new era of search engines that are capable of generating search results in natural language text, imbued with citations for supporting sources. Building generative information-seeking models demands openly accessible datasets, which currently remain lacking. In this paper, we introduce a new dataset, HAGRID (Human-in-the-loop Attributable Generative Retrieval for Information-seeking Dataset) for building end-to-end generative information-seeking models that are capable of retrieving candidate quotes and generating attributed explanations. Unlike recent efforts that focus on human evaluation of black-box proprietary search engines, we built our dataset atop the English subset of MIRACL, a publicly available information retrieval dataset. HAGRID is constructed based on human and LLM collaboration. We first automatically collect attributed explanations that follow an in-context citation style using an LLM, i.e. GPT-3.5. Next, we ask human annotators to evaluate the LLM explanations based on two criteria: informativeness and attributability. HAGRID serves as a catalyst for the development of information-seeking models with better attribution capabilities.

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.

We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.

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

The lack of wide coverage datasets annotated with everyday metaphorical expressions for languages other than English is striking. This means that most research on supervised metaphor detection has been published only for that language. In order to address this issue, this work presents the first corpus annotated with naturally occurring metaphors in Spanish large enough to develop systems to perform metaphor detection. The presented dataset, CoMeta, includes texts from various domains, namely, news, political discourse, Wikipedia and reviews. In order to label CoMeta, we apply the MIPVU method, the guidelines most commonly used to systematically annotate metaphor on real data. We use our newly created dataset to provide competitive baselines by fine-tuning several multilingual and monolingual state-of-the-art large language models. Furthermore, by leveraging the existing VUAM English data in addition to CoMeta, we present the, to the best of our knowledge, first cross-lingual experiments on supervised metaphor detection. Finally, we perform a detailed error analysis that explores the seemingly high transfer of everyday metaphor across these two languages and datasets.

Similar case retrieval (SCR) is a representative legal AI application that plays a pivotal role in promoting judicial fairness. However, existing SCR datasets only focus on the fact description section when judging the similarity between cases, ignoring other valuable sections (e.g., the court's opinion) that can provide insightful reasoning process behind. Furthermore, the case similarities are typically measured solely by the textual semantics of the fact descriptions, which may fail to capture the full complexity of legal cases from the perspective of legal knowledge. In this work, we present MUSER, a similar case retrieval dataset based on multi-view similarity measurement and comprehensive legal element with sentence-level legal element annotations. Specifically, we select three perspectives (legal fact, dispute focus, and law statutory) and build a comprehensive and structured label schema of legal elements for each of them, to enable accurate and knowledgeable evaluation of case similarities. The constructed dataset originates from Chinese civil cases and contains 100 query cases and 4,024 candidate cases. We implement several text classification algorithms for legal element prediction and various retrieval methods for retrieving similar cases on MUSER. The experimental results indicate that incorporating legal elements can benefit the performance of SCR models, but further efforts are still required to address the remaining challenges posed by MUSER. The source code and dataset are released at https://github.com/THUlawtech/MUSER.

Scientific talks are a growing medium for disseminating research, and automatically identifying relevant literature that grounds or enriches a talk would be highly valuable for researchers and students alike. We introduce Reference Prediction from Talks (RPT), a new task that maps long, and unstructured scientific presentations to relevant papers. To support research on RPT, we present Talk2Ref, the first large-scale dataset of its kind, containing 6,279 talks and 43,429 cited papers (26 per talk on average), where relevance is approximated by the papers cited in the talk's corresponding source publication. We establish strong baselines by evaluating state-of-the-art text embedding models in zero-shot retrieval scenarios, and propose a dual-encoder architecture trained on Talk2Ref. We further explore strategies for handling long transcripts, as well as training for domain adaptation. Our results show that fine-tuning on Talk2Ref significantly improves citation prediction performance, demonstrating both the challenges of the task and the effectiveness of our dataset for learning semantic representations from spoken scientific content. The dataset and trained models are released under an open license to foster future research on integrating spoken scientific communication into citation recommendation systems.

In this paper we address the challenge of extracting scientific references from patents. We approach the problem as a sequence labelling task and investigate the merits of BERT models to the extraction of these long sequences. References in patents to scientific literature are relevant to study the connection between science and industry. Most prior work only uses the front-page citations for this analysis, which are provided in the metadata of patent archives. In this paper we build on prior work using Conditional Random Fields (CRF) and Flair for reference extraction. We improve the quality of the training data and train three BERT-based models on the labelled data (BERT, bioBERT, sciBERT). We find that the improved training data leads to a large improvement in the quality of the trained models. In addition, the BERT models beat CRF and Flair, with recall scores around 97% obtained with cross validation. With the best model we label a large collection of 33 thousand patents, extract the citations, and match them to publications in the Web of Science database. We extract 50% more references than with the old training data and methods: 735 thousand references in total. With these patent-publication links, follow-up research will further analyze which types of scientific work lead to inventions.

Effective scientific communication depends on accurate citations that validate sources and guide readers to supporting evidence. Yet academic literature faces mounting challenges: semantic citation errors that misrepresent sources, AI-generated hallucinated references, and traditional citation formats that point to entire papers without indicating which sections substantiate specific claims. We introduce SemanticCite, an AI-powered system that verifies citation accuracy through full-text source analysis while providing rich contextual information via detailed reasoning and relevant text snippets. Our approach combines multiple retrieval methods with a four-class classification system (Supported, Partially Supported, Unsupported, Uncertain) that captures nuanced claim-source relationships and enables appropriate remedial actions for different error types. Our experiments show that fine-tuned lightweight language models achieve performance comparable to large commercial systems with significantly lower computational requirements, making large-scale citation verification practically feasible. The system provides transparent, evidence-based explanations that support user understanding and trust. We contribute a comprehensive dataset of over 1,000 citations with detailed alignments, functional classifications, semantic annotations, and bibliometric metadata across eight disciplines, alongside fine-tuned models and the complete verification framework as open-source software. SemanticCite addresses critical challenges in research integrity through scalable citation verification, streamlined peer review, and quality control for AI-generated content, providing an open-source foundation for maintaining citation accuracy at scale.

Formulating selective information needs results in queries that implicitly specify set operations, such as intersection, union, and difference. For instance, one might search for "shorebirds that are not sandpipers" or "science-fiction films shot in England". To study the ability of retrieval systems to meet such information needs, we construct QUEST, a dataset of 3357 natural language queries with implicit set operations, that map to a set of entities corresponding to Wikipedia documents. The dataset challenges models to match multiple constraints mentioned in queries with corresponding evidence in documents and correctly perform various set operations. The dataset is constructed semi-automatically using Wikipedia category names. Queries are automatically composed from individual categories, then paraphrased and further validated for naturalness and fluency by crowdworkers. Crowdworkers also assess the relevance of entities based on their documents and highlight attribution of query constraints to spans of document text. We analyze several modern retrieval systems, finding that they often struggle on such queries. Queries involving negation and conjunction are particularly challenging and systems are further challenged with combinations of these operations.

Scientific news reports serve as a bridge, adeptly translating complex research articles into reports that resonate with the broader public. The automated generation of such narratives enhances the accessibility of scholarly insights. In this paper, we present a new corpus to facilitate this paradigm development. Our corpus comprises a parallel compilation of academic publications and their corresponding scientific news reports across nine disciplines. To demonstrate the utility and reliability of our dataset, we conduct an extensive analysis, highlighting the divergences in readability and brevity between scientific news narratives and academic manuscripts. We benchmark our dataset employing state-of-the-art text generation models. The evaluation process involves both automatic and human evaluation, which lays the groundwork for future explorations into the automated generation of scientific news reports. The dataset and code related to this work are available at https://dongqi.me/projects/SciNews.

Evaluation is critical for assessing capabilities, tracking scientific progress, and informing model selection. In this paper, we present three desiderata for a good benchmark for language models: (i) salience (e.g., knowledge about World War II is more salient than a random day in history), (ii) novelty (i.e., the benchmark reveals new trends in model rankings not shown by previous benchmarks), and (iii) difficulty (i.e., the benchmark should be difficult for existing models, leaving headroom for future improvement). We operationalize these three desiderata and cast benchmark creation as a search problem, that of finding benchmarks that that satisfy all three desiderata. To tackle this search problem, we present AutoBencher, which uses a language model to automatically search for datasets that meet the three desiderata. AutoBencher uses privileged information (e.g. relevant documents) to construct reliable datasets, and adaptivity with reranking to optimize for the search objective. We use AutoBencher to create datasets for math, multilingual, and knowledge-intensive question answering. The scalability of AutoBencher allows it to test fine-grained categories and tail knowledge, creating datasets that are on average 27% more novel and 22% more difficult than existing benchmarks. A closer investigation of our constructed datasets shows that we can identify specific gaps in LM knowledge in language models that are not captured by existing benchmarks, such as Gemini Pro performing much worse on question answering about the Permian Extinction and Fordism, while OpenAGI-7B performing surprisingly well on QA about COVID-19.

The ability of Large Language Models (LLMs) to encode syntactic and semantic structures of language is well examined in NLP. Additionally, analogy identification, in the form of word analogies are extensively studied in the last decade of language modeling literature. In this work we specifically look at how LLMs' abilities to capture sentence analogies (sentences that convey analogous meaning to each other) vary with LLMs' abilities to encode syntactic and semantic structures of sentences. Through our analysis, we find that LLMs' ability to identify sentence analogies is positively correlated with their ability to encode syntactic and semantic structures of sentences. Specifically, we find that the LLMs which capture syntactic structures better, also have higher abilities in identifying sentence analogies.

A promising application of AI to healthcare is the retrieval of information from electronic health records (EHRs), e.g. to aid clinicians in finding relevant information for a consultation or to recruit suitable patients for a study. This requires search capabilities far beyond simple string matching, including the retrieval of concepts (diagnoses, symptoms, medications, etc.) related to the one in question. The suitability of AI methods for such applications is tested by predicting the relatedness of concepts with known relatedness scores. However, all existing biomedical concept relatedness datasets are notoriously small and consist of hand-picked concept pairs. We open-source a novel concept relatedness benchmark overcoming these issues: it is six times larger than existing datasets and concept pairs are chosen based on co-occurrence in EHRs, ensuring their relevance for the application of interest. We present an in-depth analysis of our new dataset and compare it to existing ones, highlighting that it is not only larger but also complements existing datasets in terms of the types of concepts included. Initial experiments with state-of-the-art embedding methods show that our dataset is a challenging new benchmark for testing concept relatedness models.

Scientific information extraction (SciIE) is critical for converting unstructured knowledge from scholarly articles into structured data (entities and relations). Several datasets have been proposed for training and validating SciIE models. However, due to the high complexity and cost of annotating scientific texts, those datasets restrict their annotations to specific parts of paper, such as abstracts, resulting in the loss of diverse entity mentions and relations in context. In this paper, we release a new entity and relation extraction dataset for entities related to datasets, methods, and tasks in scientific articles. Our dataset contains 106 manually annotated full-text scientific publications with over 24k entities and 12k relations. To capture the intricate use and interactions among entities in full texts, our dataset contains a fine-grained tag set for relations. Additionally, we provide an out-of-distribution test set to offer a more realistic evaluation. We conduct comprehensive experiments, including state-of-the-art supervised models and our proposed LLM-based baselines, and highlight the challenges presented by our dataset, encouraging the development of innovative models to further the field of SciIE.

There has been an increase of interest in code search using natural language. Assessing the performance of such code search models can be difficult without a readily available evaluation suite. In this paper, we present an evaluation dataset consisting of natural language query and code snippet pairs, with the hope that future work in this area can use this dataset as a common benchmark. We also provide the results of two code search models ([1] and [6]) from recent work. The evaluation dataset is available at https://github.com/facebookresearch/Neural-Code-Search-Evaluation-Dataset

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.

Inspiration is linked to various positive outcomes, such as increased creativity, productivity, and happiness. Although inspiration has great potential, there has been limited effort toward identifying content that is inspiring, as opposed to just engaging or positive. Additionally, most research has concentrated on Western data, with little attention paid to other cultures. This work is the first to study cross-cultural inspiration through machine learning methods. We aim to identify and analyze real and AI-generated cross-cultural inspiring posts. To this end, we compile and make publicly available the InspAIred dataset, which consists of 2,000 real inspiring posts, 2,000 real non-inspiring posts, and 2,000 generated inspiring posts evenly distributed across India and the UK. The real posts are sourced from Reddit, while the generated posts are created using the GPT-4 model. Using this dataset, we conduct extensive computational linguistic analyses to (1) compare inspiring content across cultures, (2) compare AI-generated inspiring posts to real inspiring posts, and (3) determine if detection models can accurately distinguish between inspiring content across cultures and data sources.

This article focuses on the development and evaluation of Small-sized Czech sentence embedding models. Small models are important components for real-time industry applications in resource-constrained environments. Given the limited availability of labeled Czech data, alternative approaches, including pre-training, knowledge distillation, and unsupervised contrastive fine-tuning, are investigated. Comprehensive intrinsic and extrinsic analyses are conducted, showcasing the competitive performance of our models compared to significantly larger counterparts, with approximately 8 times smaller size and 5 times faster speed than conventional Base-sized models. To promote cooperation and reproducibility, both the models and the evaluation pipeline are made publicly accessible. Ultimately, this article presents practical applications of the developed sentence embedding models in Seznam.cz, the Czech search engine. These models have effectively replaced previous counterparts, enhancing the overall search experience for instance, in organic search, featured snippets, and image search. This transition has yielded improved performance.

In this study, we investigate in-context learning (ICL) in document-level event argument extraction (EAE) to alleviate the dependency on large-scale labeled data for this task. We introduce the Heuristic-Driven Link-of-Analogy (HD-LoA) prompting to address the challenge of example selection and to develop a prompting strategy tailored for EAE. Specifically, we hypothesize and validate that LLMs learn task-specific heuristics from demonstrations via ICL. Building upon this hypothesis, we introduce an explicit heuristic-driven demonstration construction approach, which transforms the haphazard example selection process into a methodical method that emphasizes task heuristics. Additionally, inspired by the analogical reasoning of human, we propose the link-of-analogy prompting, which enables LLMs to process new situations by drawing analogies to known situations, enhancing their performance on unseen classes beyond limited ICL examples. Experiments show that our method outperforms existing prompting methods and few-shot supervised learning methods on document-level EAE datasets. Additionally, the HD-LoA prompting shows effectiveness in diverse tasks like sentiment analysis and natural language inference, demonstrating its broad adaptability.

In their recent Nature Human Behaviour paper, "Emergent analogical reasoning in large language models," (Webb, Holyoak, and Lu, 2023) the authors argue that "large language models such as GPT-3 have acquired an emergent ability to find zero-shot solutions to a broad range of analogy problems." In this response, we provide counterexamples of the letter string analogies. In our tests, GPT-3 fails to solve even the easiest variants of the problems presented in the original paper. Zero-shot reasoning is an extraordinary claim that requires extraordinary evidence. We do not see that evidence in our experiments. To strengthen claims of humanlike reasoning such as zero-shot reasoning, it is important that the field develop approaches that rule out data memorization.

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where expert domain knowledge is required or the question is nuanced. Scientific research often involves searching for relevant literature, distilling pertinent information from that literature and analysing how the findings support or contradict one another. The information is often encapsulated in the full text body of research articles, rather than just in the abstracts. Statements within these articles frequently require the wider article context to be fully understood. We have built an LLM-based system that performs such search and distillation of information encapsulated in scientific literature, and we evaluate our keyword based search and information distillation system against a set of biology related questions from previously released literature benchmarks. We demonstrate sparse retrieval methods exhibit results close to state of the art without the need for dense retrieval, with its associated infrastructure and complexity overhead. We also show how to increase the coverage of relevant documents for literature review generation.

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to capture detailed relationships across large bodies of work. Unstructured approaches, like retrieval augmented generation, can sift through such corpora to recall relevant facts; however, when millions of facts influence the answer, unstructured approaches become cost prohibitive. Structured representations offer a natural complement -- enabling systematic analysis across the whole corpus. Recent work enhances LLMs with unstructured or semistructured representations of scientific concepts; to complement this, we try extracting structured representations using LLMs. By combining LLMs' semantic understanding with a schema of scientific concepts, we prototype a system that answers precise questions about the literature as a whole. Our schema applies across scientific fields and we extract concepts from it using only 20 manually annotated abstracts. To demonstrate the system, we extract concepts from 30,000 papers on arXiv spanning astrophysics, fluid dynamics, and evolutionary biology. The resulting database highlights emerging trends and, by visualizing the knowledge graph, offers new ways to explore the ever-growing landscape of scientific knowledge. Demo: abby101/surveyor-0 on HF Spaces. Code: https://github.com/chiral-carbon/kg-for-science.

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.

NLP models have progressed drastically in recent years, according to numerous datasets proposed to evaluate performance. Questions remain, however, about how particular dataset design choices may impact the conclusions we draw about model capabilities. In this work, we investigate this question in the domain of compositional generalization. We examine the performance of six modeling approaches across 4 datasets, split according to 8 compositional splitting strategies, ranking models by 18 compositional generalization splits in total. Our results show that: i) the datasets, although all designed to evaluate compositional generalization, rank modeling approaches differently; ii) datasets generated by humans align better with each other than they with synthetic datasets, or than synthetic datasets among themselves; iii) generally, whether datasets are sampled from the same source is more predictive of the resulting model ranking than whether they maintain the same interpretation of compositionality; and iv) which lexical items are used in the data can strongly impact conclusions. Overall, our results demonstrate that much work remains to be done when it comes to assessing whether popular evaluation datasets measure what they intend to measure, and suggest that elucidating more rigorous standards for establishing the validity of evaluation sets could benefit the field.

Dataset summarisation is a fruitful approach to dataset inspection. However, when applied to a single dataset the discovery of visual concepts is restricted to those most prominent. We argue that a comparative approach can expand upon this paradigm to enable richer forms of dataset inspection that go beyond the most prominent concepts. To enable dataset comparison we present a module that learns concept-level prototypes across datasets. We leverage self-supervised learning to discover these prototypes without supervision, and we demonstrate the benefits of our approach in two case-studies. Our findings show that dataset comparison extends dataset inspection and we hope to encourage more works in this direction. Code and usage instructions available at https://github.com/Nanne/ProtoSim

Large Vision-Language models (VLMs) have demonstrated strong reasoning capabilities in tasks requiring a fine-grained understanding of literal images and text, such as visual question-answering or visual entailment. However, there has been little exploration of these models' capabilities when presented with images and captions containing figurative phenomena such as metaphors or humor, the meaning of which is often implicit. To close this gap, we propose a new task and a high-quality dataset: Visual Figurative Language Understanding with Textual Explanations (V-FLUTE). We frame the visual figurative language understanding problem as an explainable visual entailment task, where the model has to predict whether the image (premise) entails a claim (hypothesis) and justify the predicted label with a textual explanation. Using a human-AI collaboration framework, we build a high-quality dataset, V-FLUTE, that contains 6,027 <image, claim, label, explanation> instances spanning five diverse multimodal figurative phenomena: metaphors, similes, idioms, sarcasm, and humor. The figurative phenomena can be present either in the image, the caption, or both. We further conduct both automatic and human evaluations to assess current VLMs' capabilities in understanding figurative phenomena.

Zero-shot learning (ZSL) aims at understanding unseen categories with no training examples from class-level descriptions. To improve the discriminative power of zero-shot learning, we model the visual learning process of unseen categories with inspiration from the psychology of human creativity for producing novel art. We relate ZSL to human creativity by observing that zero-shot learning is about recognizing the unseen and creativity is about creating a likable unseen. We introduce a learning signal inspired by creativity literature that explores the unseen space with hallucinated class-descriptions and encourages careful deviation of their visual feature generations from seen classes while allowing knowledge transfer from seen to unseen classes. Empirically, we show consistent improvement over the state of the art of several percents on the largest available benchmarks on the challenging task or generalized ZSL from a noisy text that we focus on, using the CUB and NABirds datasets. We also show the advantage of our approach on Attribute-based ZSL on three additional datasets (AwA2, aPY, and SUN). Code is available.

Language models are known to hallucinate incorrect information, and it is unclear if they are sufficiently accurate and reliable for use in scientific research. We developed a rigorous human-AI comparison methodology to evaluate language model agents on real-world literature search tasks covering information retrieval, summarization, and contradiction detection tasks. We show that PaperQA2, a frontier language model agent optimized for improved factuality, matches or exceeds subject matter expert performance on three realistic literature research tasks without any restrictions on humans (i.e., full access to internet, search tools, and time). PaperQA2 writes cited, Wikipedia-style summaries of scientific topics that are significantly more accurate than existing, human-written Wikipedia articles. We also introduce a hard benchmark for scientific literature research called LitQA2 that guided design of PaperQA2, leading to it exceeding human performance. Finally, we apply PaperQA2 to identify contradictions within the scientific literature, an important scientific task that is challenging for humans. PaperQA2 identifies 2.34 +/- 1.99 contradictions per paper in a random subset of biology papers, of which 70% are validated by human experts. These results demonstrate that language model agents are now capable of exceeding domain experts across meaningful tasks on scientific literature.

The quest for human imitative AI has been an enduring topic in AI research since its inception. The technical evolution and emerging capabilities of the latest cohort of large language models (LLMs) have reinvigorated the subject beyond academia to the cultural zeitgeist. While recent NLP evaluation benchmark tasks test some aspects of human-imitative behaviour (e.g., BIG-bench's 'human-like behavior' tasks), few, if not none, examine creative problem solving abilities. Creative problem solving in humans is a well-studied topic in cognitive neuroscience with standardized tests that predominantly use the ability to associate (heterogeneous) connections among clue words as a metric for creativity. Exposure to misleading stimuli - distractors dubbed red herrings - impede human performance in such tasks via the fixation effect and Einstellung paradigm. In cognitive neuroscience studies, such fixations are experimentally induced by pre-exposing participants to orthographically similar incorrect words to subsequent word-fragments or clues. The popular British quiz show Only Connect's Connecting Wall segment essentially mimics Mednick's Remote Associates Test (RAT) formulation with built-in, deliberate red herrings, which makes it an ideal proxy dataset to explore and study fixation effect and Einstellung paradigm from cognitive neuroscience in LLMs. In addition to presenting the novel Only Connect Wall (OCW) dataset, we also report results from our evaluation of selected pre-trained language models and LLMs (including OpenAI's GPT series) on creative problem solving tasks like grouping clue words by heterogeneous connections, and identifying correct open knowledge domain connections in respective groups. The code and link to the dataset are available at https://github.com/TaatiTeam/OCW.

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast scientific data. In this work, we present SciAgents, an approach that leverages three core concepts: (1) the use of large-scale ontological knowledge graphs to organize and interconnect diverse scientific concepts, (2) a suite of large language models (LLMs) and data retrieval tools, and (3) multi-agent systems with in-situ learning capabilities. Applied to biologically inspired materials, SciAgents reveals hidden interdisciplinary relationships that were previously considered unrelated, achieving a scale, precision, and exploratory power that surpasses traditional human-driven research methods. The framework autonomously generates and refines research hypotheses, elucidating underlying mechanisms, design principles, and unexpected material properties. By integrating these capabilities in a modular fashion, the intelligent system yields material discoveries, critique and improve existing hypotheses, retrieve up-to-date data about existing research, and highlights their strengths and limitations. Our case studies demonstrate scalable capabilities to combine generative AI, ontological representations, and multi-agent modeling, harnessing a `swarm of intelligence' similar to biological systems. This provides new avenues for materials discovery and accelerates the development of advanced materials by unlocking Nature's design principles.

We propose a method to recommend music for an input video while allowing a user to guide music selection with free-form natural language. A key challenge of this problem setting is that existing music video datasets provide the needed (video, music) training pairs, but lack text descriptions of the music. This work addresses this challenge with the following three contributions. First, we propose a text-synthesis approach that relies on an analogy-based prompting procedure to generate natural language music descriptions from a large-scale language model (BLOOM-176B) given pre-trained music tagger outputs and a small number of human text descriptions. Second, we use these synthesized music descriptions to train a new trimodal model, which fuses text and video input representations to query music samples. For training, we introduce a text dropout regularization mechanism which we show is critical to model performance. Our model design allows for the retrieved music audio to agree with the two input modalities by matching visual style depicted in the video and musical genre, mood, or instrumentation described in the natural language query. Third, to evaluate our approach, we collect a testing dataset for our problem by annotating a subset of 4k clips from the YT8M-MusicVideo dataset with natural language music descriptions which we make publicly available. We show that our approach can match or exceed the performance of prior methods on video-to-music retrieval while significantly improving retrieval accuracy when using text guidance.

The arXiv has collected 1.5 million pre-print articles over 28 years, hosting literature from scientific fields including Physics, Mathematics, and Computer Science. Each pre-print features text, figures, authors, citations, categories, and other metadata. These rich, multi-modal features, combined with the natural graph structure---created by citation, affiliation, and co-authorship---makes the arXiv an exciting candidate for benchmarking next-generation models. Here we take the first necessary steps toward this goal, by providing a pipeline which standardizes and simplifies access to the arXiv's publicly available data. We use this pipeline to extract and analyze a 6.7 million edge citation graph, with an 11 billion word corpus of full-text research articles. We present some baseline classification results, and motivate application of more exciting generative graph models.

Integer sequences are of central importance to the modeling of concepts admitting complete finitary descriptions. We introduce a novel view on the learning of such concepts and lay down a set of benchmarking tasks aimed at conceptual understanding by machine learning models. These tasks indirectly assess model ability to abstract, and challenge them to reason both interpolatively and extrapolatively from the knowledge gained by observing representative examples. To further aid research in knowledge representation and reasoning, we present FACT, the Finitary Abstraction Comprehension Toolkit. The toolkit surrounds a large dataset of integer sequences comprising both organic and synthetic entries, a library for data pre-processing and generation, a set of model performance evaluation tools, and a collection of baseline model implementations, enabling the making of the future advancements with ease.

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

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

We introduce a large scale MAchine Reading COmprehension dataset, which we name MS MARCO. The dataset comprises of 1,010,916 anonymized questions---sampled from Bing's search query logs---each with a human generated answer and 182,669 completely human rewritten generated answers. In addition, the dataset contains 8,841,823 passages---extracted from 3,563,535 web documents retrieved by Bing---that provide the information necessary for curating the natural language answers. A question in the MS MARCO dataset may have multiple answers or no answers at all. Using this dataset, we propose three different tasks with varying levels of difficulty: (i) predict if a question is answerable given a set of context passages, and extract and synthesize the answer as a human would (ii) generate a well-formed answer (if possible) based on the context passages that can be understood with the question and passage context, and finally (iii) rank a set of retrieved passages given a question. The size of the dataset and the fact that the questions are derived from real user search queries distinguishes MS MARCO from other well-known publicly available datasets for machine reading comprehension and question-answering. We believe that the scale and the real-world nature of this dataset makes it attractive for benchmarking machine reading comprehension and question-answering models.

For an artificial creative agent, an essential driver of the search for novelty is a value function which is often provided by the system designer or users. We argue that an important barrier for progress in creativity research is the inability of these systems to develop their own notion of value for novelty. We propose a notion of knowledge-driven creativity that circumvent the need for an externally imposed value function, allowing the system to explore based on what it has learned from a set of referential objects. The concept is illustrated by a specific knowledge model provided by a deep generative autoencoder. Using the described system, we train a knowledge model on a set of digit images and we use the same model to build coherent sets of new digits that do not belong to known digit types.

We present a new question set, text corpus, and baselines assembled to encourage AI research in advanced question answering. Together, these constitute the AI2 Reasoning Challenge (ARC), which requires far more powerful knowledge and reasoning than previous challenges such as SQuAD or SNLI. The ARC question set is partitioned into a Challenge Set and an Easy Set, where the Challenge Set contains only questions answered incorrectly by both a retrieval-based algorithm and a word co-occurence algorithm. The dataset contains only natural, grade-school science questions (authored for human tests), and is the largest public-domain set of this kind (7,787 questions). We test several baselines on the Challenge Set, including leading neural models from the SQuAD and SNLI tasks, and find that none are able to significantly outperform a random baseline, reflecting the difficult nature of this task. We are also releasing the ARC Corpus, a corpus of 14M science sentences relevant to the task, and implementations of the three neural baseline models tested. Can your model perform better? We pose ARC as a challenge to the community.

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

Advances in embedding models for text, image, audio, and video drive progress across multiple domains, including retrieval-augmented generation, recommendation systems, vehicle/person reidentification, and face recognition. Many applications in these domains require an efficient method to retrieve items that are close to a given query in the embedding space while satisfying a filter condition based on the item's attributes, a problem known as Filtered Approximate Nearest Neighbor Search (FANNS). In this work, we present a comprehensive survey and taxonomy of FANNS methods and analyze how they are benchmarked in the literature. By doing so, we identify a key challenge in the current FANNS landscape: the lack of diverse and realistic datasets, particularly ones derived from the latest transformer-based text embedding models. To address this, we introduce a novel dataset consisting of embedding vectors for the abstracts of over 2.7 million research articles from the arXiv repository, accompanied by 11 real-world attributes such as authors and categories. We benchmark a wide range of FANNS methods on our novel dataset and find that each method has distinct strengths and limitations; no single approach performs best across all scenarios. ACORN, for example, supports various filter types and performs reliably across dataset scales but is often outperformed by more specialized methods. SeRF shows excellent performance for range filtering on ordered attributes but cannot handle categorical attributes. Filtered-DiskANN and UNG excel on the medium-scale dataset but fail on the large-scale dataset, highlighting the challenge posed by transformer-based embeddings, which are often more than an order of magnitude larger than earlier embeddings. We conclude that no universally best method exists.

We present ScienceWorld, a benchmark to test agents' scientific reasoning abilities in a new interactive text environment at the level of a standard elementary school science curriculum. Despite the transformer-based progress seen in question-answering and scientific text processing, we find that current models cannot reason about or explain learned science concepts in novel contexts. For instance, models can easily answer what the conductivity of a known material is but struggle when asked how they would conduct an experiment in a grounded environment to find the conductivity of an unknown material. This begs the question of whether current models are simply retrieving answers by way of seeing a large number of similar examples or if they have learned to reason about concepts in a reusable manner. We hypothesize that agents need to be grounded in interactive environments to achieve such reasoning capabilities. Our experiments provide empirical evidence supporting this hypothesis -- showing that a 1.5 million parameter agent trained interactively for 100k steps outperforms a 11 billion parameter model statically trained for scientific question-answering and reasoning from millions of expert demonstrations.

Large language models have been shown to suffer from reasoning inconsistency issues. That is, they fail more in situations unfamiliar to the training data, even though exact or very similar reasoning paths exist in more common cases that they can successfully solve. Such observations motivate us to propose methods that encourage models to understand the high-level and abstract reasoning processes during training instead of only the final answer. This way, models can transfer the exact solution to similar cases, regardless of their relevance to the pre-training data distribution. In this work, we propose SAL, a self-supervised analogical learning framework. SAL mimics the human analogy process and trains models to explicitly transfer high-quality symbolic solutions from cases that they know how to solve to other rare cases in which they tend to fail more. We show that the resulting models after SAL learning outperform base language models on a wide range of reasoning benchmarks, such as StrategyQA, GSM8K, and HotpotQA, by 2% to 20%. At the same time, we show that our model is more generalizable and controllable through analytical studies.

Taking inspiration from Set Theory, we introduce SetCSE, an innovative information retrieval framework. SetCSE employs sets to represent complex semantics and incorporates well-defined operations for structured information querying under the provided context. Within this framework, we introduce an inter-set contrastive learning objective to enhance comprehension of sentence embedding models concerning the given semantics. Furthermore, we present a suite of operations, including SetCSE intersection, difference, and operation series, that leverage sentence embeddings of the enhanced model for complex sentence retrieval tasks. Throughout this paper, we demonstrate that SetCSE adheres to the conventions of human language expressions regarding compounded semantics, provides a significant enhancement in the discriminatory capability of underlying sentence embedding models, and enables numerous information retrieval tasks involving convoluted and intricate prompts which cannot be achieved using existing querying methods.

In this paper, we present a novel approach to knowledge extraction and retrieval using Natural Language Processing (NLP) techniques for material science. Our goal is to automatically mine structured knowledge from millions of research articles in the field of polycrystalline materials and make it easily accessible to the broader community. The proposed method leverages NLP techniques such as entity recognition and document classification to extract relevant information and build an extensive knowledge base, from a collection of 9.5 Million publications. The resulting knowledge base is integrated into a search engine, which enables users to search for information about specific materials, properties, and experiments with greater precision than traditional search engines like Google. We hope our results can enable material scientists quickly locate desired experimental procedures, compare their differences, and even inspire them to design new experiments. Our website will be available at Github https://github.com/Xianjun-Yang/PcMSP.git soon.

This paper embarks on an exploration into the Large Language Model (LLM) datasets, which play a crucial role in the remarkable advancements of LLMs. The datasets serve as the foundational infrastructure analogous to a root system that sustains and nurtures the development of LLMs. Consequently, examination of these datasets emerges as a critical topic in research. In order to address the current lack of a comprehensive overview and thorough analysis of LLM datasets, and to gain insights into their current status and future trends, this survey consolidates and categorizes the fundamental aspects of LLM datasets from five perspectives: (1) Pre-training Corpora; (2) Instruction Fine-tuning Datasets; (3) Preference Datasets; (4) Evaluation Datasets; (5) Traditional Natural Language Processing (NLP) Datasets. The survey sheds light on the prevailing challenges and points out potential avenues for future investigation. Additionally, a comprehensive review of the existing available dataset resources is also provided, including statistics from 444 datasets, covering 8 language categories and spanning 32 domains. Information from 20 dimensions is incorporated into the dataset statistics. The total data size surveyed surpasses 774.5 TB for pre-training corpora and 700M instances for other datasets. We aim to present the entire landscape of LLM text datasets, serving as a comprehensive reference for researchers in this field and contributing to future studies. Related resources are available at: https://github.com/lmmlzn/Awesome-LLMs-Datasets.

Whether the media faithfully communicate scientific information has long been a core issue to the science community. Automatically identifying paraphrased scientific findings could enable large-scale tracking and analysis of information changes in the science communication process, but this requires systems to understand the similarity between scientific information across multiple domains. To this end, we present the SCIENTIFIC PARAPHRASE AND INFORMATION CHANGE DATASET (SPICED), the first paraphrase dataset of scientific findings annotated for degree of information change. SPICED contains 6,000 scientific finding pairs extracted from news stories, social media discussions, and full texts of original papers. We demonstrate that SPICED poses a challenging task and that models trained on SPICED improve downstream performance on evidence retrieval for fact checking of real-world scientific claims. Finally, we show that models trained on SPICED can reveal large-scale trends in the degrees to which people and organizations faithfully communicate new scientific findings. Data, code, and pre-trained models are available at http://www.copenlu.com/publication/2022_emnlp_wright/.

There is growing excitement about the potential of Language Models (LMs) to accelerate scientific discovery. Falsifying hypotheses is key to scientific progress, as it allows claims to be iteratively refined over time. This process requires significant researcher effort, reasoning, and ingenuity. Yet current benchmarks for LMs predominantly assess their ability to generate solutions rather than challenge them. We advocate for developing benchmarks that evaluate this inverse capability - creating counterexamples for subtly incorrect solutions. To demonstrate this approach, we start with the domain of algorithmic problem solving, where counterexamples can be evaluated automatically using code execution. Specifically, we introduce REFUTE, a dynamically updating benchmark that includes recent problems and incorrect submissions from programming competitions, where human experts successfully identified counterexamples. Our analysis finds that the best reasoning agents, even OpenAI o3-mini (high) with code execution feedback, can create counterexamples for only <9% of incorrect solutions in REFUTE, even though ratings indicate its ability to solve up to 48% of these problems from scratch. We hope our work spurs progress in evaluating and enhancing LMs' ability to falsify incorrect solutions - a capability that is crucial for both accelerating research and making models self-improve through reliable reflective reasoning.

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

We introduce scientific claim verification, a new task to select abstracts from the research literature containing evidence that SUPPORTS or REFUTES a given scientific claim, and to identify rationales justifying each decision. To study this task, we construct SciFact, a dataset of 1.4K expert-written scientific claims paired with evidence-containing abstracts annotated with labels and rationales. We develop baseline models for SciFact, and demonstrate that simple domain adaptation techniques substantially improve performance compared to models trained on Wikipedia or political news. We show that our system is able to verify claims related to COVID-19 by identifying evidence from the CORD-19 corpus. Our experiments indicate that SciFact will provide a challenging testbed for the development of new systems designed to retrieve and reason over corpora containing specialized domain knowledge. Data and code for this new task are publicly available at https://github.com/allenai/scifact. A leaderboard and COVID-19 fact-checking demo are available at https://scifact.apps.allenai.org.

The power of DNNs relies heavily on the quantity and quality of training data. However, collecting and annotating data on a large scale is often expensive and time-consuming. To address this issue, we explore a new task, termed dataset expansion, aimed at expanding a ready-to-use small dataset by automatically creating new labeled samples. To this end, we present a Guided Imagination Framework (GIF) that leverages cutting-edge generative models like DALL-E2 and Stable Diffusion (SD) to "imagine" and create informative new data from the input seed data. Specifically, GIF conducts data imagination by optimizing the latent features of the seed data in the semantically meaningful space of the prior model, resulting in the creation of photo-realistic images with new content. To guide the imagination towards creating informative samples for model training, we introduce two key criteria, i.e., class-maintained information boosting and sample diversity promotion. These criteria are verified to be essential for effective dataset expansion: GIF-SD obtains 13.5% higher model accuracy on natural image datasets than unguided expansion with SD. With these essential criteria, GIF successfully expands small datasets in various scenarios, boosting model accuracy by 36.9% on average over six natural image datasets and by 13.5% on average over three medical datasets. The source code is available at https://github.com/Vanint/DatasetExpansion.