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 Large Language Model


AUTOCT: Automating Interpretable Clinical Trial Prediction with LLM Agents

arXiv.org Artificial Intelligence

Clinical trials are critical for advancing medical treatments but remain prohibitively expensive and time-consuming. Accurate prediction of clinical trial outcomes can significantly reduce research and development costs and accelerate drug discovery. While recent deep learning models have shown promise by leveraging unstructured data, their black-box nature, lack of interpretability, and vulnerability to label leakage limit their practical use in high-stakes biomedical contexts. In this work, we propose AutoCT, a novel framework that combines the reasoning capabilities of large language models with the explainability of classical machine learning. AutoCT autonomously generates, evaluates, and refines tabular features based on public information without human input. Our method uses Monte Carlo Tree Search to iteratively optimize predictive performance. Experimental results show that AutoCT performs on par with or better than SOTA methods on clinical trial prediction tasks within only a limited number of self-refinement iterations, establishing a new paradigm for scalable, interpretable, and cost-efficient clinical trial prediction.


Relational reasoning and inductive bias in transformers trained on a transitive inference task

arXiv.org Artificial Intelligence

Transformer-based models have demonstrated remarkable reasoning abilities, but the mechanisms underlying relational reasoning in different learning regimes remain poorly understood. In this work, we investigate how transformers perform a classic relational reasoning task from the Psychology literature, \textit{transitive inference}, which requires inference about indirectly related items by integrating information across observed adjacent item pairs (e.g., if A>B and B>C, then A>C). We compare transitive inference behavior across two distinct learning regimes: in-weights learning (IWL), where models store information in network parameters, and in-context learning (ICL), where models flexibly utilize information presented within the input sequence. Our findings reveal that IWL naturally induces a generalization bias towards transitive inference, despite being trained only on adjacent items, whereas ICL models trained solely on adjacent items do not generalize transitively. Mechanistic analysis shows that ICL models develop induction circuits that implement a simple match-and-copy strategy that performs well at relating adjacent pairs, but does not encoding hierarchical relationships among indirectly related items. Interestingly, when pre-trained on in-context linear regression tasks, transformers successfully exhibit in-context generalizable transitive inference. Moreover, like IWL, they display both \textit{symbolic distance} and \textit{terminal item effects} characteristic of human and animal performance, without forming induction circuits. These results suggest that pre-training on tasks with underlying structure promotes the development of representations that can scaffold in-context relational reasoning.


DrSR: LLM based Scientific Equation Discovery with Dual Reasoning from Data and Experience

arXiv.org Artificial Intelligence

Symbolic regression is a fundamental tool for discovering interpretable mathematical expressions from data, with broad applications across scientific and engineering domains. Recently, large language models (LLMs) have demonstrated strong performance in this task, leveraging embedded scientific priors and reasoning capabilities to surpass traditional methods. However, existing LLM-based approaches, such as LLM-SR, often over-rely on internal priors, lacking explicit data understanding and systematic reflection during equation generation. To address these limitations, we propose DrSR (Dual Reasoning Symbolic Regression), a framework that combines data-driven insight with reflective learning to enhance both robustness and discovery capability. Specifically, DrSR guides LLMs to analyze structural relationships (e.g., monotonicity, nonlinearity, and correlation) within the data to generate structured descriptions. Simultaneously, it monitors equation performance and establishes a feedback loop to refine subsequent generations. By integrating data understanding and generation reflection in a closed loop, DrSR enables more efficient exploration of the symbolic expression space. Experiments across interdisciplinary datasets in physics, chemistry, biology, and materials science demonstrate that DrSR substantially improves the valid equation rate and consistently outperforms both classical and recent LLM-based methods in terms of accuracy, generalization, and search efficiency. These results underscore its potential for scientific equation discovery.


A Graph-Retrieval-Augmented Generation Framework Enhances Decision-Making in the Circular Economy

arXiv.org Artificial Intelligence

Large language models (LLMs) hold promise for sustainable manufacturing, but often hallucinate industrial codes and emission factors, undermining regulatory and investment decisions. We introduce CircuGraphRAG, a retrieval-augmented generation (RAG) framework that grounds LLMs outputs in a domain-specific knowledge graph for the circular economy. This graph connects 117,380 industrial and waste entities with classification codes and GWP100 emission data, enabling structured multi-hop reasoning. Natural language queries are translated into SPARQL and verified subgraphs are retrieved to ensure accuracy and traceability. Compared with Standalone LLMs and Naive RAG, CircuGraphRAG achieves superior performance in single-hop and multi-hop question answering, with ROUGE-L F1 scores up to 1.0, while baseline scores below 0.08. It also improves efficiency, halving the response time and reducing token usage by 16% in representative tasks. CircuGraphRAG provides fact-checked, regulatory-ready support for circular economy planning, advancing reliable, low-carbon resource decision making.


SafeSteer: Interpretable Safety Steering with Refusal-Evasion in LLMs

arXiv.org Artificial Intelligence

Fine-tuning large language models (LLMs) to adapt to evolving safety policies is costly and impractical. Mechanistic interpretability enables inference-time control through latent activation steering, yet its potential for precise, customizable safety adjustments remains largely untapped. This paper investigates an approach called SafeSteer for guiding the outputs of LLMs by: (i) leveraging category-specific steering vectors for more precise control, (ii) employing a simple, gradient-free unsupervised method to enhance safety steering while preserving text quality, topic relevance, and without explicit refusal, and (iii) accomplishing this without a hard requirement of contrastive pairwise safe data. We also highlight that our method, being simple and effective, aligns with recent studies suggesting that simple techniques often outperform more complex ones in activation steering. We showcase the effectiveness of our approach across various LLMs, datasets, and risk categories, demonstrating its ability to provide precise control, prevent blanket refusals, and guide models toward generating safe content while maintaining topic relevance.


Zero-Shot Adaptation of Parameter-Efficient Fine-Tuning in Diffusion Models

arXiv.org Artificial Intelligence

We introduce ProLoRA, enabling zero-shot adaptation of parameter-efficient fine-tuning in text-to-image diffusion models. ProLoRA transfers pre-trained low-rank adjustments (e.g., LoRA) from a source to a target model without additional training data. This overcomes the limitations of traditional methods that require retraining when switching base models, often challenging due to data constraints. ProLoRA achieves this via projection of source adjustments into the target model's weight space, leveraging subspace and null space similarities and selectively targeting aligned layers. Evaluations on established text-to-image models demonstrate successful knowledge transfer and comparable performance without retraining.


OpenThoughts: Data Recipes for Reasoning Models

arXiv.org Artificial Intelligence

Reasoning models have made rapid progress on many benchmarks involving math, code, and science. Yet, there are still many open questions about the best training recipes for reasoning since state-of-the-art models often rely on proprietary datasets with little to no public information available. To address this, the goal of the OpenThoughts project is to create open-source datasets for training reasoning models. After initial explorations, our OpenThoughts2-1M dataset led to OpenThinker2-32B, the first model trained on public reasoning data to match DeepSeek-R1-Distill-32B on standard reasoning benchmarks such as AIME and LiveCodeBench. We then improve our dataset further by systematically investigating each step of our data generation pipeline with 1,000+ controlled experiments, which led to OpenThoughts3. Scaling the pipeline to 1.2M examples and using QwQ-32B as teacher yields our OpenThoughts3-7B model, which achieves state-of-the-art results: 53% on AIME 2025, 51% on LiveCodeBench 06/24-01/25, and 54% on GPQA Diamond - improvements of 15.3, 17.2, and 20.5 percentage points compared to the DeepSeek-R1-Distill-Qwen-7B. All of our datasets and models are available on https://openthoughts.ai.


Rectified Sparse Attention

arXiv.org Artificial Intelligence

Efficient long-sequence generation is a critical challenge for Large Language Models. While recent sparse decoding methods improve efficiency, they suffer from KV cache misalignment, where approximation errors accumulate and degrade generation quality. In this work, we propose Rectified Sparse Attention (ReSA), a simple yet effective method that combines block-sparse attention with periodic dense rectification. By refreshing the KV cache at fixed intervals using a dense forward pass, ReSA bounds error accumulation and preserves alignment with the pretraining distribution. Experiments across math reasoning, language modeling, and retrieval tasks demonstrate that ReSA achieves near-lossless generation quality with significantly improved efficiency. Notably, ReSA delivers up to 2.42$\times$ end-to-end speedup under decoding at 256K sequence length, making it a practical solution for scalable long-context inference. Code is available at https://aka.ms/ReSA-LM.


HSSBench: Benchmarking Humanities and Social Sciences Ability for Multimodal Large Language Models

arXiv.org Artificial Intelligence

Multimodal Large Language Models (MLLMs) have demonstrated significant potential to advance a broad range of domains. However, current benchmarks for evaluating MLLMs primarily emphasize general knowledge and vertical step-by-step reasoning typical of STEM disciplines, while overlooking the distinct needs and potential of the Humanities and Social Sciences (HSS). Tasks in the HSS domain require more horizontal, interdisciplinary thinking and a deep integration of knowledge across related fields, which presents unique challenges for MLLMs, particularly in linking abstract concepts with corresponding visual representations. Addressing this gap, we present HSSBench, a dedicated benchmark designed to assess the capabilities of MLLMs on HSS tasks in multiple languages, including the six official languages of the United Nations. We also introduce a novel data generation pipeline tailored for HSS scenarios, in which multiple domain experts and automated agents collaborate to generate and iteratively refine each sample. HSSBench contains over 13,000 meticulously designed samples, covering six key categories. We benchmark more than 20 mainstream MLLMs on HSSBench and demonstrate that it poses significant challenges even for state-of-the-art models. We hope that this benchmark will inspire further research into enhancing the cross-disciplinary reasoning abilities of MLLMs, especially their capacity to internalize and connect knowledge across fields.


Magic Mushroom: A Customizable Benchmark for Fine-grained Analysis of Retrieval Noise Erosion in RAG Systems

arXiv.org Artificial Intelligence

Retrieval-Augmented Generation (RAG) systems enhance Large Language Models (LLMs) by incorporating external retrieved information, mitigating issues such as hallucination and outdated knowledge. However, RAG systems are highly sensitive to retrieval noise prevalent in real-world scenarios. Existing benchmarks fail to emulate the complex and heterogeneous noise distributions encountered in real-world retrieval environments, undermining reliable robustness assessment. In this paper, we define four categories of retrieval noise based on linguistic properties and noise characteristics, aiming to reflect the heterogeneity of noise in real-world scenarios. Building on this, we introduce Magic Mushroom, a benchmark for replicating "magic mushroom" noise: contexts that appear relevant on the surface but covertly mislead RAG systems. Magic Mushroom comprises 7,468 single-hop and 3,925 multi-hop question-answer pairs. More importantly, Magic Mushroom enables researchers to flexibly configure combinations of retrieval noise according to specific research objectives or application scenarios, allowing for highly controlled evaluation setups. We evaluate LLM generators of varying parameter scales and classic RAG denoising strategies under diverse noise distributions to investigate their performance dynamics during progressive noise encroachment. Our analysis reveals that both generators and denoising strategies have significant room for improvement and exhibit extreme sensitivity to noise distributions. Magic Mushroom emerges as a promising tool for evaluating and advancing noise-robust RAG systems, accelerating their widespread deployment in real-world applications. The Magic Mushroom benchmark is available at https://drive.google.com/file/d/1aP5kyPuk4L-L_uoI6T9UhxuTyt8oMqjT/view?usp=sharing.