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May 15

FrontierSmith: Synthesizing Open-Ended Coding Problems at Scale

Many real-world coding challenges are open-ended and admit no known optimal solution. Yet, recent progress in LLM coding has focused on well-defined tasks such as feature implementation, bug fixing, and competitive programming. Open-ended coding remains a weak spot for LLMs, largely because open-ended training problems are scarce and expensive to construct. Our goal is to synthesize open-ended coding problems at scale to train stronger LLM coders. We introduce FrontierSmith, an automated system for iteratively evolving open-ended problems from existing closed-ended coding tasks. Starting from competitive programming problems, FrontierSmith generates candidate open-ended variants by changing the problems'goals, restricting outputs, and generalizing inputs. It then uses a quantitative idea divergence metric to select problems that elicit genuinely diverse approaches from different solvers. Agents then generate test cases and verifiers for the surviving candidates. On two open-ended coding benchmarks, training on our synthesized data yields substantial gains over the base models: Qwen3.5-9B improves by +8.82 score on FrontierCS and +306.36 (Elo-rating-based performance) on ALE-bench; Qwen3.5-27B improves by +12.12 and +309.12, respectively. The synthesized problems also make agents take more turns and use more tokens, similar to human-curated ones, suggesting that closed-ended seeds can be a practical starting point for long-horizon coding data.

  • 17 authors
·
May 13 1

Navigating Ideation Space: Decomposed Conceptual Representations for Positioning Scientific Ideas

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

  • 4 authors
·
Jan 13

InfoSynth: Information-Guided Benchmark Synthesis for LLMs

Large language models (LLMs) have demonstrated significant advancements in reasoning and code generation. However, efficiently creating new benchmarks to evaluate these capabilities remains a challenge. Traditional benchmark creation relies on manual human effort, a process that is both expensive and time-consuming. Furthermore, existing benchmarks often contaminate LLM training data, necessitating novel and diverse benchmarks to accurately assess their genuine capabilities. This work introduces InfoSynth, a novel framework for automatically generating and evaluating reasoning benchmarks guided by information-theoretic principles. We propose metrics based on KL-divergence and entropy to quantify benchmark novelty and diversity without relying on costly model evaluations. Building on this framework, we develop an end-to-end pipeline that synthesizes robust Python coding problems from seed datasets using genetic algorithms and iterative code feedback. Our method generates accurate test cases and solutions to new problems 97% of the time, and the synthesized benchmarks consistently exhibit higher novelty and diversity compared to their seed datasets. Moreover, our algorithm provides a method for controlling the novelty/diversity and difficulty of generated problems. InfoSynth offers a scalable, self-verifying pipeline for constructing high-quality, novel and diverse benchmarks for LLMs. Project Page: https://ishirgarg.github.io/infosynth_web/

Berkeley UC Berkeley
·
Jan 2 3

Concept-Based Explainable Artificial Intelligence: Metrics and Benchmarks

Concept-based explanation methods, such as concept bottleneck models (CBMs), aim to improve the interpretability of machine learning models by linking their decisions to human-understandable concepts, under the critical assumption that such concepts can be accurately attributed to the network's feature space. However, this foundational assumption has not been rigorously validated, mainly because the field lacks standardised metrics and benchmarks to assess the existence and spatial alignment of such concepts. To address this, we propose three metrics: the concept global importance metric, the concept existence metric, and the concept location metric, including a technique for visualising concept activations, i.e., concept activation mapping. We benchmark post-hoc CBMs to illustrate their capabilities and challenges. Through qualitative and quantitative experiments, we demonstrate that, in many cases, even the most important concepts determined by post-hoc CBMs are not present in input images; moreover, when they are present, their saliency maps fail to align with the expected regions by either activating across an entire object or misidentifying relevant concept-specific regions. We analyse the root causes of these limitations, such as the natural correlation of concepts. Our findings underscore the need for more careful application of concept-based explanation techniques especially in settings where spatial interpretability is critical.

  • 3 authors
·
Jan 31, 2025

An Information-Theoretic Framework for Credit Risk Modeling: Unifying Industry Practice with Statistical Theory for Fair and Interpretable Scorecards

Credit risk modeling relies extensively on Weight of Evidence (WoE) and Information Value (IV) for feature engineering, and Population Stability Index (PSI) for drift monitoring, yet their theoretical foundations remain disconnected. We establish a unified information-theoretic framework revealing these industry-standard metrics as instances of classical information divergences. Specifically, we prove that IV exactly equals PSI (Jeffreys divergence) computed between good and bad credit outcomes over identical bins. Through the delta method applied to WoE transformations, we derive standard errors for IV and PSI, enabling formal hypothesis testing and probabilistic fairness constraints for the first time. We formalize credit modeling's inherent performance-fairness trade-off as maximizing IV for predictive power while minimizing IV for protected attributes. Using automated binning with depth-1 XGBoost stumps, we compare three encoding strategies: logistic regression with one-hot encoding, WoE transformation, and constrained XGBoost. All methods achieve comparable predictive performance (AUC 0.82-0.84), demonstrating that principled, information-theoretic binning outweighs encoding choice. Mixed-integer programming traces Pareto-efficient solutions along the performance-fairness frontier with uncertainty quantification. This framework bridges theory and practice, providing the first rigorous statistical foundation for widely-used credit risk metrics while offering principled tools for balancing accuracy and fairness in regulated environments.

  • 2 authors
·
Sep 10, 2025

The Ideation-Execution Gap: Execution Outcomes of LLM-Generated versus Human Research Ideas

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

  • 3 authors
·
Jun 25, 2025

An Axiomatic Benchmark for Evaluation of Scientific Novelty Metrics

The rigorous evaluation of the novelty of a scientific paper is, even for human scientists, a challenging task. With the increasing interest in AI scientists and AI involvement in scientific idea generation and paper writing, it also becomes increasingly important that this task be automatable and reliable, lest both human attention and compute tokens be wasted on ideas that have already been explored. Due to the challenge of quantifying ground-truth novelty, however, existing novelty metrics for scientific papers generally validate their results against noisy, confounded signals such as citation counts or peer review scores. These proxies can conflate novelty with impact, quality, or reviewer preference, which in turn makes it harder to assess how well a given metric actually evaluates novelty. We therefore propose an axiomatic benchmark for scientific novelty metrics. We first define a set of axioms that a well-behaved novelty metric should satisfy, grounded in human scientific norms and practice, then evaluate existing metrics across ten tasks spanning three domains of AI research. Our results reveal that no existing metric satisfies all axioms consistently, and that metrics fail on systematically different axioms, reflecting their underlying architectures. Additionally, we show that combining metrics of complementary architectures leads to consistent improvements on the benchmark, with per-axiom weighting achieving 90.1% versus 71.5% for the best individual metric, suggesting that developing architecturally diverse metrics is a promising direction for future work. We release the benchmark code as supplementary material to encourage the development of more robust scientific literature novelty metrics.

  • 2 authors
·
Apr 16

Signal-to-Noise Ratio: A Robust Distance Metric for Deep Metric Learning

Deep metric learning, which learns discriminative features to process image clustering and retrieval tasks, has attracted extensive attention in recent years. A number of deep metric learning methods, which ensure that similar examples are mapped close to each other and dissimilar examples are mapped farther apart, have been proposed to construct effective structures for loss functions and have shown promising results. In this paper, different from the approaches on learning the loss structures, we propose a robust SNR distance metric based on Signal-to-Noise Ratio (SNR) for measuring the similarity of image pairs for deep metric learning. By exploring the properties of our SNR distance metric from the view of geometry space and statistical theory, we analyze the properties of our metric and show that it can preserve the semantic similarity between image pairs, which well justify its suitability for deep metric learning. Compared with Euclidean distance metric, our SNR distance metric can further jointly reduce the intra-class distances and enlarge the inter-class distances for learned features. Leveraging our SNR distance metric, we propose Deep SNR-based Metric Learning (DSML) to generate discriminative feature embeddings. By extensive experiments on three widely adopted benchmarks, including CARS196, CUB200-2011 and CIFAR10, our DSML has shown its superiority over other state-of-the-art methods. Additionally, we extend our SNR distance metric to deep hashing learning, and conduct experiments on two benchmarks, including CIFAR10 and NUS-WIDE, to demonstrate the effectiveness and generality of our SNR distance metric.

  • 5 authors
·
Apr 4, 2019

PLD: A Choice-Theoretic List-Wise Knowledge Distillation

Knowledge distillation is a model compression technique in which a compact "student" network is trained to replicate the predictive behavior of a larger "teacher" network. In logit-based knowledge distillation, it has become the de facto approach to augment cross-entropy with a distillation term. Typically, this term is either a KL divergence that matches marginal probabilities or a correlation-based loss that captures intra- and inter-class relationships. In every case, it acts as an additional term to cross-entropy. This term has its own weight, which must be carefully tuned. In this paper, we adopt a choice-theoretic perspective and recast knowledge distillation under the Plackett-Luce model by interpreting teacher logits as "worth" scores. We introduce "Plackett-Luce Distillation (PLD)", a weighted list-wise ranking loss. In PLD, the teacher model transfers knowledge of its full ranking of classes, weighting each ranked choice by its own confidence. PLD directly optimizes a single "teacher-optimal" ranking. The true label is placed first, followed by the remaining classes in descending teacher confidence. This process yields a convex and translation-invariant surrogate that subsumes weighted cross-entropy. Empirically, across CIFAR-100, ImageNet-1K, and MS-COCO, PLD achieves consistent gains across diverse architectures and distillation objectives, including divergence-based, correlation-based, and feature-based methods, in both homogeneous and heterogeneous teacher-student pairs.

  • 3 authors
·
Jun 14, 2025

Sinkhorn Distance Minimization for Knowledge Distillation

Knowledge distillation (KD) has been widely adopted to compress large language models (LLMs). Existing KD methods investigate various divergence measures including the Kullback-Leibler (KL), reverse Kullback-Leibler (RKL), and Jensen-Shannon (JS) divergences. However, due to limitations inherent in their assumptions and definitions, these measures fail to deliver effective supervision when few distribution overlap exists between the teacher and the student. In this paper, we show that the aforementioned KL, RKL, and JS divergences respectively suffer from issues of mode-averaging, mode-collapsing, and mode-underestimation, which deteriorates logits-based KD for diverse NLP tasks. We propose the Sinkhorn Knowledge Distillation (SinKD) that exploits the Sinkhorn distance to ensure a nuanced and precise assessment of the disparity between teacher and student distributions. Besides, profit by properties of the Sinkhorn metric, we can get rid of sample-wise KD that restricts the perception of divergence in each teacher-student sample pair. Instead, we propose a batch-wise reformulation to capture geometric intricacies of distributions across samples in the high-dimensional space. Comprehensive evaluation on GLUE and SuperGLUE, in terms of comparability, validity, and generalizability, highlights our superiority over state-of-the-art methods on all kinds of LLMs with encoder-only, encoder-decoder, and decoder-only architectures.

  • 10 authors
·
Feb 26, 2024

A Comprehensive Survey of Evaluation Techniques for Recommendation Systems

The effectiveness of recommendation systems is pivotal to user engagement and satisfaction in online platforms. As these recommendation systems increasingly influence user choices, their evaluation transcends mere technical performance and becomes central to business success. This paper addresses the multifaceted nature of recommendations system evaluation by introducing a comprehensive suite of metrics, each tailored to capture a distinct aspect of system performance. We discuss * Similarity Metrics: to quantify the precision of content-based filtering mechanisms and assess the accuracy of collaborative filtering techniques. * Candidate Generation Metrics: to evaluate how effectively the system identifies a broad yet relevant range of items. * Predictive Metrics: to assess the accuracy of forecasted user preferences. * Ranking Metrics: to evaluate the effectiveness of the order in which recommendations are presented. * Business Metrics: to align the performance of the recommendation system with economic objectives. Our approach emphasizes the contextual application of these metrics and their interdependencies. In this paper, we identify the strengths and limitations of current evaluation practices and highlight the nuanced trade-offs that emerge when optimizing recommendation systems across different metrics. The paper concludes by proposing a framework for selecting and interpreting these metrics to not only improve system performance but also to advance business goals. This work is to aid researchers and practitioners in critically assessing recommendation systems and fosters the development of more nuanced, effective, and economically viable personalization strategies. Our code is available at GitHub - https://github.com/aryan-jadon/Evaluation-Metrics-for-Recommendation-Systems.

  • 2 authors
·
Dec 26, 2023

Reasoning Path Divergence: A New Metric and Curation Strategy to Unlock LLM Diverse Thinking

While Test-Time Scaling (TTS) has proven effective in improving the reasoning ability of large language models (LLMs), low diversity in model outputs often becomes a bottleneck; this is partly caused by the common "one problem, one solution" (1P1S) training practice, which provides a single canonical answer and can push models toward a narrow set of reasoning paths. This homogenization not only limits sampling effectiveness but also restricts the exploration space for subsequent Reinforcement Learning (RL) stages. To address this, we propose a "one problem, multiple solutions" (1PNS) training paradigm that exposes the model to a variety of valid reasoning trajectories and thus increases inference diversity. A core challenge for 1PNS is reliably measuring semantic differences between multi-step chains of thought, so we introduce Reasoning Path Divergence (RPD), a step-level metric that aligns and scores Long Chain-of-Thought solutions to capture differences in intermediate reasoning. Using RPD, we curate maximally diverse solution sets per problem and fine-tune Qwen3-4B-Base. Experiments show that RPD-selected training yields more varied outputs and higher pass@k, with an average +2.80% gain in pass@16 over a strong 1P1S baseline and a +4.99% gain on AIME24, demonstrating that 1PNS further amplifies the effectiveness of TTS. Our code is available at https://github.com/fengjujf/Reasoning-Path-Divergence .

  • 6 authors
·
Jan 3

Not All Thoughts are Generated Equal: Efficient LLM Reasoning via Multi-Turn Reinforcement Learning

Compressing long chain-of-thought (CoT) from large language models (LLMs) is an emerging strategy to improve the reasoning efficiency of LLMs. Despite its promising benefits, existing studies equally compress all thoughts within a long CoT, hindering more concise and effective reasoning. To this end, we first investigate the importance of different thoughts by examining their effectiveness and efficiency in contributing to reasoning through automatic long CoT chunking and Monte Carlo rollouts. Building upon the insights, we propose a theoretically bounded metric to jointly measure the effectiveness and efficiency of different thoughts. We then propose LongotimesShort, an efficient reasoning framework that enables two LLMs to collaboratively solve the problem: a long-thought LLM for more effectively generating important thoughts, while a short-thought LLM for efficiently generating remaining thoughts. Specifically, we begin by synthesizing a small amount of cold-start data to fine-tune LLMs for long-thought and short-thought reasoning styles, respectively. Furthermore, we propose a synergizing-oriented multi-turn reinforcement learning, focusing on the model self-evolution and collaboration between long-thought and short-thought LLMs. Experimental results show that our method enables Qwen2.5-7B and Llama3.1-8B to achieve comparable performance compared to DeepSeek-R1-Distill-Qwen-7B and DeepSeek-R1-Distill-Llama-8B, while reducing token length by over 80% across the MATH500, AIME24/25, AMC23, and GPQA Diamond benchmarks. Our data and code are available at https://github.com/yasNing/Long-otimes-Short/.

  • 5 authors
·
May 17, 2025 1

IdeaBench: Benchmarking Large Language Models for Research Idea Generation

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

  • 7 authors
·
Oct 31, 2024

Automatic Assessment of Divergent Thinking in Chinese Language with TransDis: A Transformer-Based Language Model Approach

Language models have been increasingly popular for automatic creativity assessment, generating semantic distances to objectively measure the quality of creative ideas. However, there is currently a lack of an automatic assessment system for evaluating creative ideas in the Chinese language. To address this gap, we developed TransDis, a scoring system using transformer-based language models, capable of providing valid originality (quality) and flexibility (variety) scores for Alternative Uses Task (AUT) responses in Chinese. Study 1 demonstrated that the latent model-rated originality factor, comprised of three transformer-based models, strongly predicted human originality ratings, and the model-rated flexibility strongly correlated with human flexibility ratings as well. Criterion validity analyses indicated that model-rated originality and flexibility positively correlated to other creativity measures, demonstrating similar validity to human ratings. Study 2 & 3 showed that TransDis effectively distinguished participants instructed to provide creative vs. common uses (Study 2) and participants instructed to generate ideas in a flexible vs. persistent way (Study 3). Our findings suggest that TransDis can be a reliable and low-cost tool for measuring idea originality and flexibility in Chinese language, potentially paving the way for automatic creativity assessment in other languages. We offer an open platform to compute originality and flexibility for AUT responses in Chinese and over 50 other languages (https://osf.io/59jv2/).

  • 4 authors
·
Jun 26, 2023

Heaven-Sent or Hell-Bent? Benchmarking the Intelligence and Defectiveness of LLM Hallucinations

Hallucinations in large language models (LLMs) are commonly regarded as errors to be minimized. However, recent perspectives suggest that some hallucinations may encode creative or epistemically valuable content, a dimension that remains underquantified in current literature. Existing hallucination detection methods primarily focus on factual consistency, struggling to handle heterogeneous scientific tasks and balance creativity with accuracy. To address these challenges, we propose HIC-Bench, a novel evaluation framework that categorizes hallucinations into Intelligent Hallucinations (IH) and Defective Hallucinations (DH), enabling systematic investigation of their interplay in LLM creativity. HIC-Bench features three core characteristics: (1) Structured IH/DH Assessment. using a multi-dimensional metric matrix integrating Torrance Tests of Creative Thinking (TTCT) metrics (Originality, Feasibility, Value) with hallucination-specific dimensions (scientific plausibility, factual deviation); (2) Cross-Domain Applicability. spanning ten scientific domains with open-ended innovation tasks; and (3) Dynamic Prompt Optimization. leveraging the Dynamic Hallucination Prompt (DHP) to guide models toward creative and reliable outputs. The evaluation process employs multiple LLM judges, averaging scores to mitigate bias, with human annotators verifying IH/DH classifications. Experimental results reveal a nonlinear relationship between IH and DH, demonstrating that creativity and correctness can be jointly optimized. These insights position IH as a catalyst for creativity and reveal the ability of LLM hallucinations to drive scientific innovation.Additionally, the HIC-Bench offers a valuable platform for advancing research into the creative intelligence of LLM hallucinations.

  • 5 authors
·
Dec 25, 2025

SuSana Distancia is all you need: Enforcing class separability in metric learning via two novel distance-based loss functions for few-shot image classification

Few-shot learning is a challenging area of research that aims to learn new concepts with only a few labeled samples of data. Recent works based on metric-learning approaches leverage the meta-learning approach, which is encompassed by episodic tasks that make use a support (training) and query set (test) with the objective of learning a similarity comparison metric between those sets. Due to the lack of data, the learning process of the embedding network becomes an important part of the few-shot task. Previous works have addressed this problem using metric learning approaches, but the properties of the underlying latent space and the separability of the difference classes on it was not entirely enforced. In this work, we propose two different loss functions which consider the importance of the embedding vectors by looking at the intra-class and inter-class distance between the few data. The first loss function is the Proto-Triplet Loss, which is based on the original triplet loss with the modifications needed to better work on few-shot scenarios. The second loss function, which we dub ICNN loss is based on an inter and intra class nearest neighbors score, which help us to assess the quality of embeddings obtained from the trained network. Our results, obtained from a extensive experimental setup show a significant improvement in accuracy in the miniImagenNet benchmark compared to other metric-based few-shot learning methods by a margin of 2%, demonstrating the capability of these loss functions to allow the network to generalize better to previously unseen classes. In our experiments, we demonstrate competitive generalization capabilities to other domains, such as the Caltech CUB, Dogs and Cars datasets compared with the state of the art.

  • 7 authors
·
May 15, 2023

A Holistic Approach to Unifying Automatic Concept Extraction and Concept Importance Estimation

In recent years, concept-based approaches have emerged as some of the most promising explainability methods to help us interpret the decisions of Artificial Neural Networks (ANNs). These methods seek to discover intelligible visual 'concepts' buried within the complex patterns of ANN activations in two key steps: (1) concept extraction followed by (2) importance estimation. While these two steps are shared across methods, they all differ in their specific implementations. Here, we introduce a unifying theoretical framework that comprehensively defines and clarifies these two steps. This framework offers several advantages as it allows us: (i) to propose new evaluation metrics for comparing different concept extraction approaches; (ii) to leverage modern attribution methods and evaluation metrics to extend and systematically evaluate state-of-the-art concept-based approaches and importance estimation techniques; (iii) to derive theoretical guarantees regarding the optimality of such methods. We further leverage our framework to try to tackle a crucial question in explainability: how to efficiently identify clusters of data points that are classified based on a similar shared strategy. To illustrate these findings and to highlight the main strategies of a model, we introduce a visual representation called the strategic cluster graph. Finally, we present https://serre-lab.github.io/Lens, a dedicated website that offers a complete compilation of these visualizations for all classes of the ImageNet dataset.

  • 8 authors
·
Jun 11, 2023

SciPIP: An LLM-based Scientific Paper Idea Proposer

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.

  • 10 authors
·
Oct 30, 2024

Is this Idea Novel? An Automated Benchmark for Judgment of Research Ideas

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

  • 2 authors
·
Mar 10

AnyLoss: Transforming Classification Metrics into Loss Functions

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

  • 3 authors
·
May 23, 2024

Flow of Reasoning: Efficient Training of LLM Policy with Divergent Thinking

Divergent thinking, the cognitive process of generating diverse solutions, is a hallmark of human creativity and problem-solving. For machines, sampling diverse solution trajectories in complex reasoning problems is crucial for robust outcomes, data augmentation, and enhanced model generalization. Large language models (LLMs) often struggle with generating high-quality, diverse reasoning. While supervised fine-tuning helps with quality, it requires extensive supervision data to capture the full diversity of solutions. Alternatively, reinforcement learning methods like PPO aim to find limited highest-reward solutions while neglecting the solution diversity, akin to convergent thinking. To address these limitations, we propose Flow of Reasoning (FoR) -- an efficient LLM training approach enabling diverse reasoning with minimal data. FoR formulates multi-step LLM reasoning as a Markovian flow from an initial state to terminal states. The formulation allows to adapt principled GFlowNet approaches to train the LLM as a policy, which is able to sample multiple reasoning paths with probabilities proportional to the unnormalized reward. Empirical results show that, with limited training data (e.g., 15 examples), FoR can discover diverse high-quality solutions that excel greatly beyond current state-of-the-art methods across three tasks, including embodied reasoning (BlocksWorld), math puzzle solving (Game24), and logical reasoning (PrOntoQA). Code is available at https://github.com/Yu-Fangxu/FoR.

  • 5 authors
·
Jun 9, 2024

Combinatorial Creativity: A New Frontier in Generalization Abilities

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.

spiralworks Spiral Works
·
Sep 25, 2025 2

AceMap: Knowledge Discovery through Academic Graph

The exponential growth of scientific literature requires effective management and extraction of valuable insights. While existing scientific search engines excel at delivering search results based on relational databases, they often neglect the analysis of collaborations between scientific entities and the evolution of ideas, as well as the in-depth analysis of content within scientific publications. The representation of heterogeneous graphs and the effective measurement, analysis, and mining of such graphs pose significant challenges. To address these challenges, we present AceMap, an academic system designed for knowledge discovery through academic graph. We present advanced database construction techniques to build the comprehensive AceMap database with large-scale academic entities that contain rich visual, textual, and numerical information. AceMap also employs innovative visualization, quantification, and analysis methods to explore associations and logical relationships among academic entities. AceMap introduces large-scale academic network visualization techniques centered on nebular graphs, providing a comprehensive view of academic networks from multiple perspectives. In addition, AceMap proposes a unified metric based on structural entropy to quantitatively measure the knowledge content of different academic entities. Moreover, AceMap provides advanced analysis capabilities, including tracing the evolution of academic ideas through citation relationships and concept co-occurrence, and generating concise summaries informed by this evolutionary process. In addition, AceMap uses machine reading methods to generate potential new ideas at the intersection of different fields. Exploring the integration of large language models and knowledge graphs is a promising direction for future research in idea evolution. Please visit https://www.acemap.info for further exploration.

  • 26 authors
·
Mar 4, 2024

Unveiling Downstream Performance Scaling of LLMs: A Clustering-Based Perspective

The rapid advancements in computing dramatically increase the scale and cost of training Large Language Models (LLMs). Accurately predicting downstream task performance prior to model training is crucial for efficient resource allocation, yet remains challenging due to two primary constraints: (1) the "emergence phenomenon", wherein downstream performance metrics become meaningful only after extensive training, which limits the ability to use smaller models for prediction; (2) Uneven task difficulty distributions and the absence of consistent scaling laws, resulting in substantial metric variability. Existing performance prediction methods suffer from limited accuracy and reliability, thereby impeding the assessment of potential LLM capabilities. To address these challenges, we propose a Clustering-On-Difficulty (COD) downstream performance prediction framework. COD first constructs a predictable support subset by clustering tasks based on difficulty features, strategically excluding non-emergent and non-scalable clusters. The scores on the selected subset serve as effective intermediate predictors of downstream performance on the full evaluation set. With theoretical support, we derive a mapping function that transforms performance metrics from the predictable subset to the full evaluation set, thereby ensuring accurate extrapolation of LLM downstream performance. The proposed method has been applied to predict performance scaling for a 70B LLM, providing actionable insights for training resource allocation and assisting in monitoring the training process. Notably, COD achieves remarkable predictive accuracy on the 70B LLM by leveraging an ensemble of small models, demonstrating an absolute mean deviation of 1.36% across eight important LLM evaluation benchmarks.

  • 5 authors
·
Feb 24, 2025 2

ClassDiffusion: More Aligned Personalization Tuning with Explicit Class Guidance

Recent text-to-image customization works have been proven successful in generating images of given concepts by fine-tuning the diffusion models on a few examples. However, these methods tend to overfit the concepts, resulting in failure to create the concept under multiple conditions (e.g. headphone is missing when generating a <sks> dog wearing a headphone'). Interestingly, we notice that the base model before fine-tuning exhibits the capability to compose the base concept with other elements (e.g. a dog wearing a headphone) implying that the compositional ability only disappears after personalization tuning. Inspired by this observation, we present ClassDiffusion, a simple technique that leverages a semantic preservation loss to explicitly regulate the concept space when learning the new concept. Despite its simplicity, this helps avoid semantic drift when fine-tuning on the target concepts. Extensive qualitative and quantitative experiments demonstrate that the use of semantic preservation loss effectively improves the compositional abilities of the fine-tune models. In response to the ineffective evaluation of CLIP-T metrics, we introduce BLIP2-T metric, a more equitable and effective evaluation metric for this particular domain. We also provide in-depth empirical study and theoretical analysis to better understand the role of the proposed loss. Lastly, we also extend our ClassDiffusion to personalized video generation, demonstrating its flexibility.

  • 6 authors
·
May 27, 2024

Supervised Fine-Tuning or Contrastive Learning? Towards Better Multimodal LLM Reranking

In information retrieval, training reranking models mainly focuses on two types of objectives: metric learning (e.g. contrastive loss to increase the predicted scores on relevant query-document pairs) and classification (binary label prediction of relevance vs. irrelevance). For BERT-style encoders, various studies have shown that contrastive learning (CL) can be more effective than discriminative (classification) learning. However, for large language models (LLMs), classification via supervised fine-tuning (SFT), which predicts ''yes'' (resp. ''no'') token for relevant (resp. irrelevant) pairs, appears more promising as it aligns well with the generative nature of LLMs. This divergence raises a central question: which objective is intrinsically better suited to LLM-based reranking, and what mechanism underlies the difference? In this work, we conduct a comprehensive comparison and analysis between CL and SFT for reranking, taking the universal multimodal retrieval (UMR) as the experimental playground. We first decompose the objectives into two components: weight, which controls the magnitude of those updates, and direction, which guides the model updates, then present a unified framework for understanding their interactions. Through probing experiments, we find that SFT provides a substantially stronger weighting scheme than CL, whereas the preferred scoring direction shows no clear winner. Taken together, these results point to a consistent advantage of SFT over CL for LLM reranking. To further validate our findings, we conduct large-scale training with SFT and present new state-of-the-art rerankers on the MRB benchmark. We also provide ablations on SFT settings and expect our findings to benefit future research and applications in this area.

  • 9 authors
·
Oct 16, 2025

Energy Confused Adversarial Metric Learning for Zero-Shot Image Retrieval and Clustering

Deep metric learning has been widely applied in many computer vision tasks, and recently, it is more attractive in zero-shot image retrieval and clustering(ZSRC) where a good embedding is requested such that the unseen classes can be distinguished well. Most existing works deem this 'good' embedding just to be the discriminative one and thus race to devise powerful metric objectives or hard-sample mining strategies for leaning discriminative embedding. However, in this paper, we first emphasize that the generalization ability is a core ingredient of this 'good' embedding as well and largely affects the metric performance in zero-shot settings as a matter of fact. Then, we propose the Energy Confused Adversarial Metric Learning(ECAML) framework to explicitly optimize a robust metric. It is mainly achieved by introducing an interesting Energy Confusion regularization term, which daringly breaks away from the traditional metric learning idea of discriminative objective devising, and seeks to 'confuse' the learned model so as to encourage its generalization ability by reducing overfitting on the seen classes. We train this confusion term together with the conventional metric objective in an adversarial manner. Although it seems weird to 'confuse' the network, we show that our ECAML indeed serves as an efficient regularization technique for metric learning and is applicable to various conventional metric methods. This paper empirically and experimentally demonstrates the importance of learning embedding with good generalization, achieving state-of-the-art performances on the popular CUB, CARS, Stanford Online Products and In-Shop datasets for ZSRC tasks. \textcolor[rgb]{1, 0, 0}{Code available at http://www.bhchen.cn/}.

  • 2 authors
·
Jan 21, 2019

Large Language Models Align with the Human Brain during Creative Thinking

Creative thinking is a fundamental aspect of human cognition, and divergent thinking-the capacity to generate novel and varied ideas-is widely regarded as its core generative engine. Large language models (LLMs) have recently demonstrated impressive performance on divergent thinking tests and prior work has shown that models with higher task performance tend to be more aligned to human brain activity. However, existing brain-LLM alignment studies have focused on passive, non-creative tasks. Here, we explore brain alignment during creative thinking using fMRI data from 170 participants performing the Alternate Uses Task (AUT). We extract representations from LLMs varying in size (270M-72B) and measure alignment to brain responses via Representational Similarity Analysis (RSA), targeting the creativity-related default mode and frontoparietal networks. We find that brain-LLM alignment scales with model size (default mode network only) and idea originality (both networks), with effects strongest early in the creative process. We further show that post-training objectives shape alignment in functionally selective ways: a creativity-optimized Llama-3.1-8B-Instruct preserves alignment with high-creativity neural responses while reducing alignment with low-creativity ones; a human behavior fine-tuned model elevates alignment with both; and a reasoning-trained variant shows the opposite pattern, suggesting chain-of-thought training steers representations away from creative neural geometry toward analytical processing. These results demonstrate that post-training objectives selectively reshape LLM representations relative to the neural geometry of human creative thought.

It Takes Two to Tango: Mixup for Deep Metric Learning

Metric learning involves learning a discriminative representation such that embeddings of similar classes are encouraged to be close, while embeddings of dissimilar classes are pushed far apart. State-of-the-art methods focus mostly on sophisticated loss functions or mining strategies. On the one hand, metric learning losses consider two or more examples at a time. On the other hand, modern data augmentation methods for classification consider two or more examples at a time. The combination of the two ideas is under-studied. In this work, we aim to bridge this gap and improve representations using mixup, which is a powerful data augmentation approach interpolating two or more examples and corresponding target labels at a time. This task is challenging because unlike classification, the loss functions used in metric learning are not additive over examples, so the idea of interpolating target labels is not straightforward. To the best of our knowledge, we are the first to investigate mixing both examples and target labels for deep metric learning. We develop a generalized formulation that encompasses existing metric learning loss functions and modify it to accommodate for mixup, introducing Metric Mix, or Metrix. We also introduce a new metric - utilization, to demonstrate that by mixing examples during training, we are exploring areas of the embedding space beyond the training classes, thereby improving representations. To validate the effect of improved representations, we show that mixing inputs, intermediate representations or embeddings along with target labels significantly outperforms state-of-the-art metric learning methods on four benchmark deep metric learning datasets.

  • 6 authors
·
Jun 9, 2021

Collaborative Metric Learning Recommendation System: Application to Theatrical Movie Releases

Product recommendation systems are important for major movie studios during the movie greenlight process and as part of machine learning personalization pipelines. Collaborative Filtering (CF) models have proved to be effective at powering recommender systems for online streaming services with explicit customer feedback data. CF models do not perform well in scenarios in which feedback data is not available, in cold start situations like new product launches, and situations with markedly different customer tiers (e.g., high frequency customers vs. casual customers). Generative natural language models that create useful theme-based representations of an underlying corpus of documents can be used to represent new product descriptions, like new movie plots. When combined with CF, they have shown to increase the performance in cold start situations. Outside of those cases though in which explicit customer feedback is available, recommender engines must rely on binary purchase data, which materially degrades performance. Fortunately, purchase data can be combined with product descriptions to generate meaningful representations of products and customer trajectories in a convenient product space in which proximity represents similarity. Learning to measure the distance between points in this space can be accomplished with a deep neural network that trains on customer histories and on dense vectorizations of product descriptions. We developed a system based on Collaborative (Deep) Metric Learning (CML) to predict the purchase probabilities of new theatrical releases. We trained and evaluated the model using a large dataset of customer histories, and tested the model for a set of movies that were released outside of the training window. Initial experiments show gains relative to models that do not train on collaborative preferences.

  • 4 authors
·
Feb 28, 2018

A Meta-Evaluation of Style and Attribute Transfer Metrics

LLMs make it easy to rewrite text in any style, be it more polite, persuasive, or more positive. We present a large-scale study of evaluation metrics for style and attribute transfer with a focus on content preservation; meaning content not attributed to the style shift is preserved. The de facto evaluation approach uses lexical or semantic similarity metrics often between source sentences and rewrites. While these metrics are not designed to distinguish between style or content differences, empirical meta-evaluation shows a reasonable correlation to human judgment. In fact, recent works find that LLMs prompted as evaluators are only comparable to semantic similarity metrics, even though intuitively, the LLM approach should better fit the task. To investigate this discrepancy, we benchmark 8 metrics for evaluating content preservation on existing datasets and additionally construct a new test set that better aligns with the meta-evaluation aim. Indeed, we then find that the empirical conclusion aligns with the intuition: content preservation metrics for style/attribute transfer must be conditional on the style shift. To support this, we propose a new efficient zero-shot evaluation method using the likelihood of the next token. We hope our meta-evaluation can foster more research on evaluating content preservation metrics, and also to ensure fair evaluation of methods for conducting style transfer.

  • 3 authors
·
Feb 20, 2025

Geometry-Aware Adaptation for Pretrained Models

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

  • 7 authors
·
Jul 23, 2023

Hyperspherical embedding for novel class classification

Deep learning models have become increasingly useful in many different industries. On the domain of image classification, convolutional neural networks proved the ability to learn robust features for the closed set problem, as shown in many different datasets, such as MNIST FASHIONMNIST, CIFAR10, CIFAR100, and IMAGENET. These approaches use deep neural networks with dense layers with softmax activation functions in order to learn features that can separate classes in a latent space. However, this traditional approach is not useful for identifying classes unseen on the training set, known as the open set problem. A similar problem occurs in scenarios involving learning on small data. To tackle both problems, few-shot learning has been proposed. In particular, metric learning learns features that obey constraints of a metric distance in the latent space in order to perform classification. However, while this approach proves to be useful for the open set problem, current implementation requires pair-wise training, where both positive and negative examples of similar images are presented during the training phase, which limits the applicability of these approaches in large data or large class scenarios given the combinatorial nature of the possible inputs.In this paper, we present a constraint-based approach applied to the representations in the latent space under the normalized softmax loss, proposed by[18]. We experimentally validate the proposed approach for the classification of unseen classes on different datasets using both metric learning and the normalized softmax loss, on disjoint and joint scenarios. Our results show that not only our proposed strategy can be efficiently trained on larger set of classes, as it does not require pairwise learning, but also present better classification results than the metric learning strategies surpassing its accuracy by a significant margin.

  • 4 authors
·
Feb 5, 2021

Compression, Transduction, and Creation: A Unified Framework for Evaluating Natural Language Generation

Natural language generation (NLG) spans a broad range of tasks, each of which serves for specific objectives and desires different properties of generated text. The complexity makes automatic evaluation of NLG particularly challenging. Previous work has typically focused on a single task and developed individual evaluation metrics based on specific intuitions. In this paper, we propose a unifying perspective that facilitates the design of metrics for a wide range of language generation tasks and quality aspects. Based on the nature of information change from input to output, we classify NLG tasks into compression (e.g., summarization), transduction (e.g., text rewriting), and creation (e.g., dialog). The information alignment, or overlap, between input, context, and output text plays a common central role in characterizing the generation. Using the uniform concept of information alignment, we develop a family of interpretable metrics for various NLG tasks and aspects, often without need of gold reference data. To operationalize the metrics, we train self-supervised models to approximate information alignment as a prediction task. Experiments show the uniformly designed metrics achieve stronger or comparable correlations with human judgement compared to state-of-the-art metrics in each of diverse tasks, including text summarization, style transfer, and knowledge-grounded dialog. With information alignment as the intermediate representation, we deliver a composable library for easy NLG evaluation and future metric design.

  • 5 authors
·
Sep 13, 2021

Towards Fine-Grained Text-to-3D Quality Assessment: A Benchmark and A Two-Stage Rank-Learning Metric

Recent advances in Text-to-3D (T23D) generative models have enabled the synthesis of diverse, high-fidelity 3D assets from textual prompts. However, existing challenges restrict the development of reliable T23D quality assessment (T23DQA). First, existing benchmarks are outdated, fragmented, and coarse-grained, making fine-grained metric training infeasible. Moreover, current objective metrics exhibit inherent design limitations, resulting in non-representative feature extraction and diminished metric robustness. To address these limitations, we introduce T23D-CompBench, a comprehensive benchmark for compositional T23D generation. We define five components with twelve sub-components for compositional prompts, which are used to generate 3,600 textured meshes from ten state-of-the-art generative models. A large-scale subjective experiment is conducted to collect 129,600 reliable human ratings across different perspectives. Based on T23D-CompBench, we further propose Rank2Score, an effective evaluator with two-stage training for T23DQA. Rank2Score enhances pairwise training via supervised contrastive regression and curriculum learning in the first stage, and subsequently refines predictions using mean opinion scores to achieve closer alignment with human judgments in the second stage. Extensive experiments and downstream applications demonstrate that Rank2Score consistently outperforms existing metrics across multiple dimensions and can additionally serve as a reward function to optimize generative models. The project is available at https://cbysjtu.github.io/Rank2Score/.

  • 5 authors
·
Sep 28, 2025

How Expressive are Graph Neural Networks in Recommendation?

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of their capability are scarce, despite their empirical effectiveness in state-of-the-art recommender models. Recently, research has explored the expressiveness of GNNs in general, demonstrating that message passing GNNs are at most as powerful as the Weisfeiler-Lehman test, and that GNNs combined with random node initialization are universal. Nevertheless, the concept of "expressiveness" for GNNs remains vaguely defined. Most existing works adopt the graph isomorphism test as the metric of expressiveness, but this graph-level task may not effectively assess a model's ability in recommendation, where the objective is to distinguish nodes of different closeness. In this paper, we provide a comprehensive theoretical analysis of the expressiveness of GNNs in recommendation, considering three levels of expressiveness metrics: graph isomorphism (graph-level), node automorphism (node-level), and topological closeness (link-level). We propose the topological closeness metric to evaluate GNNs' ability to capture the structural distance between nodes, which aligns closely with the objective of recommendation. To validate the effectiveness of this new metric in evaluating recommendation performance, we introduce a learning-less GNN algorithm that is optimal on the new metric and can be optimal on the node-level metric with suitable modification. We conduct extensive experiments comparing the proposed algorithm against various types of state-of-the-art GNN models to explore the explainability of the new metric in the recommendation task. For reproducibility, implementation codes are available at https://github.com/HKUDS/GTE.

  • 4 authors
·
Aug 21, 2023

Large Language Models for Scientific Idea Generation: A Creativity-Centered Survey

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.

  • 6 authors
·
Nov 5, 2025 2

Learning to Predict Future-Aligned Research Proposals with Language Models

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

  • 7 authors
·
Apr 5

The Choice of Divergence: A Neglected Key to Mitigating Diversity Collapse in Reinforcement Learning with Verifiable Reward

A central paradox in fine-tuning Large Language Models (LLMs) with Reinforcement Learning with Verifiable Reward (RLVR) is the frequent degradation of multi-attempt performance (Pass@k) despite improvements in single-attempt accuracy (Pass@1). This is often accompanied by catastrophic forgetting, where models lose previously acquired skills. While various methods have been proposed, the choice and function of the divergence term have been surprisingly unexamined as a proactive solution. We argue that standard RLVR objectives -- both those using the mode-seeking reverse KL-divergence and those forgoing a divergence term entirely -- lack a crucial mechanism for knowledge retention. The reverse-KL actively accelerates this decay by narrowing the policy, while its absence provides no safeguard against the model drifting from its diverse knowledge base. We propose a fundamental shift in perspective: using the divergence term itself as the solution. Our framework, Diversity-Preserving Hybrid RL (DPH-RL), leverages mass-covering f-divergences (like forward-KL and JS-divergence) to function as a rehearsal mechanism. By continuously referencing the initial policy, this approach forces the model to maintain broad solution coverage. Extensive experiments on math and SQL generation demonstrate that DPH-RL not only resolves the Pass@k degradation but improves both Pass@1 and Pass@k in- and out-of-domain. Additionally, DPH-RL is more training-efficient because it computes f-divergence using generator functions, requiring only sampling from the initial policy and no online reference model. Our work highlights a crucial, overlooked axis for improving RLVR, demonstrating that the proper selection of a divergence measure is a powerful tool for building more general and diverse reasoning models.

  • 10 authors
·
Sep 9, 2025 2

DeepInnovator: Triggering the Innovative Capabilities of LLMs

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

  • 8 authors
·
Feb 21

Pretraining Data Detection for Large Language Models: A Divergence-based Calibration Method

As the scale of training corpora for large language models (LLMs) grows, model developers become increasingly reluctant to disclose details on their data. This lack of transparency poses challenges to scientific evaluation and ethical deployment. Recently, pretraining data detection approaches, which infer whether a given text was part of an LLM's training data through black-box access, have been explored. The Min-K\% Prob method, which has achieved state-of-the-art results, assumes that a non-training example tends to contain a few outlier words with low token probabilities. However, the effectiveness may be limited as it tends to misclassify non-training texts that contain many common words with high probabilities predicted by LLMs. To address this issue, we introduce a divergence-based calibration method, inspired by the divergence-from-randomness concept, to calibrate token probabilities for pretraining data detection. We compute the cross-entropy (i.e., the divergence) between the token probability distribution and the token frequency distribution to derive a detection score. We have developed a Chinese-language benchmark, PatentMIA, to assess the performance of detection approaches for LLMs on Chinese text. Experimental results on English-language benchmarks and PatentMIA demonstrate that our proposed method significantly outperforms existing methods. Our code and PatentMIA benchmark are available at https://github.com/zhang-wei-chao/DC-PDD.

  • 6 authors
·
Sep 23, 2024

Can LLMs Generate Novel Research Ideas? A Large-Scale Human Study with 100+ NLP Researchers

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.

  • 3 authors
·
Sep 6, 2024 3

Gen4Gen: Generative Data Pipeline for Generative Multi-Concept Composition

Recent text-to-image diffusion models are able to learn and synthesize images containing novel, personalized concepts (e.g., their own pets or specific items) with just a few examples for training. This paper tackles two interconnected issues within this realm of personalizing text-to-image diffusion models. First, current personalization techniques fail to reliably extend to multiple concepts -- we hypothesize this to be due to the mismatch between complex scenes and simple text descriptions in the pre-training dataset (e.g., LAION). Second, given an image containing multiple personalized concepts, there lacks a holistic metric that evaluates performance on not just the degree of resemblance of personalized concepts, but also whether all concepts are present in the image and whether the image accurately reflects the overall text description. To address these issues, we introduce Gen4Gen, a semi-automated dataset creation pipeline utilizing generative models to combine personalized concepts into complex compositions along with text-descriptions. Using this, we create a dataset called MyCanvas, that can be used to benchmark the task of multi-concept personalization. In addition, we design a comprehensive metric comprising two scores (CP-CLIP and TI-CLIP) for better quantifying the performance of multi-concept, personalized text-to-image diffusion methods. We provide a simple baseline built on top of Custom Diffusion with empirical prompting strategies for future researchers to evaluate on MyCanvas. We show that by improving data quality and prompting strategies, we can significantly increase multi-concept personalized image generation quality, without requiring any modifications to model architecture or training algorithms.

  • 9 authors
·
Feb 23, 2024 2

How Contaminated Is Your Benchmark? Quantifying Dataset Leakage in Large Language Models with Kernel Divergence

Dataset contamination, where evaluation datasets overlap with pre-training corpora, inflates performance metrics and undermines the reliability of model evaluations. Measuring dataset contamination thus becomes essential to ensure that performance evaluations genuinely reflect a model's ability to generalize to unseen data, rather than relying on memorized examples. To address this problem, we propose Kernel Divergence Score (KDS), a novel method that evaluates dataset contamination by computing the divergence between the kernel similarity matrix of sample embeddings, before and after fine-tuning on the benchmark dataset. Leveraging the insight that fine-tuning affects unseen samples more significantly than seen ones, KDS provides a reliable measure of contamination. Through extensive experiments on controlled contamination scenarios, KDS demonstrates a near-perfect correlation with contamination levels and outperforms existing baselines. Additionally, we perform comprehensive ablation studies to analyze the impact of key design choices, providing deeper insights into the components and effectiveness of KDS. These ablations highlight the importance of leveraging fine-grained kernel-based information and confirm the reliability of the proposed framework across diverse datasets and settings. Code is released in https://github.com/deeplearning-wisc/kernel-divergence-score.

  • 4 authors
·
May 19, 2025

HADSF: Aspect Aware Semantic Control for Explainable Recommendation

Recent advances in large language models (LLMs) promise more effective information extraction for review-based recommender systems, yet current methods still (i) mine free-form reviews without scope control, producing redundant and noisy representations, (ii) lack principled metrics that link LLM hallucination to downstream effectiveness, and (iii) leave the cost-quality trade-off across model scales largely unexplored. We address these gaps with the Hyper-Adaptive Dual-Stage Semantic Framework (HADSF), a two-stage approach that first induces a compact, corpus-level aspect vocabulary via adaptive selection and then performs vocabulary-guided, explicitly constrained extraction of structured aspect-opinion triples. To assess the fidelity of the resulting representations, we introduce Aspect Drift Rate (ADR) and Opinion Fidelity Rate (OFR) and empirically uncover a nonmonotonic relationship between hallucination severity and rating prediction error. Experiments on approximately 3 million reviews across LLMs spanning 1.5B-70B parameters show that, when integrated into standard rating predictors, HADSF yields consistent reductions in prediction error and enables smaller models to achieve competitive performance in representative deployment scenarios. We release code, data pipelines, and metric implementations to support reproducible research on hallucination-aware, LLM-enhanced explainable recommendation. Code is available at https://github.com/niez233/HADSF

  • 2 authors
·
Oct 30, 2025

Threshold-Consistent Margin Loss for Open-World Deep Metric Learning

Existing losses used in deep metric learning (DML) for image retrieval often lead to highly non-uniform intra-class and inter-class representation structures across test classes and data distributions. When combined with the common practice of using a fixed threshold to declare a match, this gives rise to significant performance variations in terms of false accept rate (FAR) and false reject rate (FRR) across test classes and data distributions. We define this issue in DML as threshold inconsistency. In real-world applications, such inconsistency often complicates the threshold selection process when deploying commercial image retrieval systems. To measure this inconsistency, we propose a novel variance-based metric called Operating-Point-Inconsistency-Score (OPIS) that quantifies the variance in the operating characteristics across classes. Using the OPIS metric, we find that achieving high accuracy levels in a DML model does not automatically guarantee threshold consistency. In fact, our investigation reveals a Pareto frontier in the high-accuracy regime, where existing methods to improve accuracy often lead to degradation in threshold consistency. To address this trade-off, we introduce the Threshold-Consistent Margin (TCM) loss, a simple yet effective regularization technique that promotes uniformity in representation structures across classes by selectively penalizing hard sample pairs. Extensive experiments demonstrate TCM's effectiveness in enhancing threshold consistency while preserving accuracy, simplifying the threshold selection process in practical DML settings.

  • 7 authors
·
Jul 8, 2023

Spacer: Towards Engineered Scientific Inspiration

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.

  • 16 authors
·
Aug 25, 2025 2

Chain of Ideas: Revolutionizing Research in Novel Idea Development with LLM Agents

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

  • 14 authors
·
Oct 16, 2024

AInstein: Assessing the Feasibility of AI-Generated Approaches to Research Problems

Large language models (LLMs) demonstrate impressive capabilities across a wide range of tasks, yet it remains unclear whether such success reflects genuine reasoning or sophisticated recall. We introduce AInstein, a framework for testing whether LLMs can generate valid solutions to AI research problems using only their pretrained parametric knowledge -- without domain-specific fine-tuning, retrieval augmentation, or other external aids. Our approach extracts distilled problem statements from high-quality ICLR 2025 submissions, then tasks specialized solver agents with proposing and refining technical solutions through iterative critique loops, mimicking the cycles of proposal, review, and revision central to scientific inquiry. We evaluate AInstein on 1,214 ICLR papers stratified by acceptance tier (Oral, Spotlight, Poster), using an LLM-as-a-judge paradigm guided by a structured rubric, complemented by targeted manual checks. Performance is assessed with three metrics: Success Rate (does the solution address the problem?), Rediscovery (does it align with human-proposed methods?), and Novelty (does it yield valid, original approaches?). Our results reveal that while LLMs can rediscover feasible solutions and occasionally propose creative alternatives, their problem-solving ability remains fragile and highly sensitive to framing. These findings provide the first large-scale evidence on the extent to which LLMs can act as autonomous scientific problem-solvers, highlighting both their latent potential and their current limitations.

  • 6 authors
·
Oct 6, 2025 4

Similarity is Not All You Need: Endowing Retrieval Augmented Generation with Multi Layered Thoughts

In recent years, large language models (LLMs) have made remarkable achievements in various domains. However, the untimeliness and cost of knowledge updates coupled with hallucination issues of LLMs have curtailed their applications in knowledge intensive tasks, where retrieval augmented generation (RAG) can be of help. Nevertheless, existing retrieval augmented models typically use similarity as a bridge between queries and documents and follow a retrieve then read procedure. In this work, we argue that similarity is not always the panacea and totally relying on similarity would sometimes degrade the performance of retrieval augmented generation. To this end, we propose MetRag, a Multi layEred Thoughts enhanced Retrieval Augmented Generation framework. To begin with, beyond existing similarity oriented thought, we embrace a small scale utility model that draws supervision from an LLM for utility oriented thought and further come up with a smarter model by comprehensively combining the similarity and utility oriented thoughts. Furthermore, given the fact that the retrieved document set tends to be huge and using them in isolation makes it difficult to capture the commonalities and characteristics among them, we propose to make an LLM as a task adaptive summarizer to endow retrieval augmented generation with compactness-oriented thought. Finally, with multi layered thoughts from the precedent stages, an LLM is called for knowledge augmented generation. Extensive experiments on knowledge-intensive tasks have demonstrated the superiority of MetRag.

  • 12 authors
·
May 30, 2024 2

The illusion of a perfect metric: Why evaluating AI's words is harder than it looks

Evaluating Natural Language Generation (NLG) is crucial for the practical adoption of AI, but has been a longstanding research challenge. While human evaluation is considered the de-facto standard, it is expensive and lacks scalability. Practical applications have driven the development of various automatic evaluation metrics (AEM), designed to compare the model output with human-written references, generating a score which approximates human judgment. Over time, AEMs have evolved from simple lexical comparisons, to semantic similarity models and, more recently, to LLM-based evaluators. However, it seems that no single metric has emerged as a definitive solution, resulting in studies using different ones without fully considering the implications. This paper aims to show this by conducting a thorough examination of the methodologies of existing metrics, their documented strengths and limitations, validation methods, and correlations with human judgment. We identify several key challenges: metrics often capture only specific aspects of text quality, their effectiveness varies by task and dataset, validation practices remain unstructured, and correlations with human judgment are inconsistent. Importantly, we find that these challenges persist in the most recent type of metric, LLM-as-a-Judge, as well as in the evaluation of Retrieval Augmented Generation (RAG), an increasingly relevant task in academia and industry. Our findings challenge the quest for the 'perfect metric'. We propose selecting metrics based on task-specific needs and leveraging complementary evaluations and advocate that new metrics should focus on enhanced validation methodologies.

  • 4 authors
·
Aug 19, 2025

AlphaEval: A Comprehensive and Efficient Evaluation Framework for Formula Alpha Mining

Formula alpha mining, which generates predictive signals from financial data, is critical for quantitative investment. Although various algorithmic approaches-such as genetic programming, reinforcement learning, and large language models-have significantly expanded the capacity for alpha discovery, systematic evaluation remains a key challenge. Existing evaluation metrics predominantly include backtesting and correlation-based measures. Backtesting is computationally intensive, inherently sequential, and sensitive to specific strategy parameters. Correlation-based metrics, though efficient, assess only predictive ability and overlook other crucial properties such as temporal stability, robustness, diversity, and interpretability. Additionally, the closed-source nature of most existing alpha mining models hinders reproducibility and slows progress in this field. To address these issues, we propose AlphaEval, a unified, parallelizable, and backtest-free evaluation framework for automated alpha mining models. AlphaEval assesses the overall quality of generated alphas along five complementary dimensions: predictive power, stability, robustness to market perturbations, financial logic, and diversity. Extensive experiments across representative alpha mining algorithms demonstrate that AlphaEval achieves evaluation consistency comparable to comprehensive backtesting, while providing more comprehensive insights and higher efficiency. Furthermore, AlphaEval effectively identifies superior alphas compared to traditional single-metric screening approaches. All implementations and evaluation tools are open-sourced to promote reproducibility and community engagement.

  • 9 authors
·
Aug 10, 2025

Beyond Heuristic Prompting: A Concept-Guided Bayesian Framework for Zero-Shot Image Recognition

Vision-Language Models (VLMs), such as CLIP, have significantly advanced zero-shot image recognition. However, their performance remains limited by suboptimal prompt engineering and poor adaptability to target classes. While recent methods attempt to improve prompts through diverse class descriptions, they often rely on heuristic designs, lack versatility, and are vulnerable to outlier prompts. This paper enhances prompt by incorporating class-specific concepts. By treating concepts as latent variables, we rethink zero-shot image classification from a Bayesian perspective, casting prediction as marginalization over the concept space, where each concept is weighted by a prior and a test-image conditioned likelihood. This formulation underscores the importance of both a well-structured concept proposal distribution and the refinement of concept priors. To construct an expressive and efficient proposal distribution, we introduce a multi-stage concept synthesis pipeline driven by LLMs to generate discriminative and compositional concepts, followed by a Determinantal Point Process to enforce diversity. To mitigate the influence of outlier concepts, we propose a training-free, adaptive soft-trim likelihood, which attenuates their impact in a single forward pass. We further provide robustness guarantees and derive multi-class excess risk bounds for our framework. Extensive experiments demonstrate that our method consistently outperforms state-of-the-art approaches, validating its effectiveness in zero-shot image classification. Our code is available at https://github.com/less-and-less-bugs/CGBC.

  • 6 authors
·
Mar 8