Artificial intelligence is rapidly entering the core workflows of scientific research. Yet reliable scientific reasoning requires access to accumulated scientific knowledge with sufficient breadth, depth, and standardization. Current AI scientists typically assemble scientific knowledge through workflow- and discipline-specific pipelines, which provide incomplete coverage, leave relations implicit, and make knowledge acquisition pathways fragmented. Here we present SciAtlas, a shared, machine-actionable cross-disciplinary scholarly knowledge infrastructure that integrates evidential, conceptual, disciplinary, expertise, and normative layers under a shared schema. SciAtlas further achieves a unified neuro-symbolic retrieval mechanism that grounds heterogeneous research objects, propagates relevance across the scholarly topology, and projects the resulting relevance field into the context required by each scientific workflow. Across three representative workflows, SciAtlas broadens trajectory reconstruction by recovering overlooked research branches, deepens opportunity discovery by uncovering underexplored bottlenecks and cross-domain insights, and strengthens innovation assessment by integrating evidence, expertise, and evaluation signals. Across three representative workflows, SciAtlas broadens trajectory reconstruction by recovering overlooked stages and branches, deepens opportunity discovery by uncovering underexplored bottlenecks and cross-domain connections, and standardizes innovation assessment by integrating evidence, expertise and evaluation signals. Extensive evaluations validate the foundational capabilities underpinning it as reusable knowledge infrastructure for knowledge-intensive scientific research.
Shuofei Qiao, Yunxiang Wei, Busheng Zhang et al.· 0 citations
Whether intermediate reasoning is computationally useful or merely explanatory depends on whether chain-of-thought (CoT) tokens contain task-relevant information. We present a mechanistic causal analysis of CoT on GSM8K using activation patching: transferring token-level hidden states from a CoT generation to a direct-answer run for the same question, then measuring the effect on final-answer accuracy. Across models, generating after patching yields substantially higher accuracy than both direct-answer prompting and the original CoT trace, revealing that individual CoT tokens can encode sufficient information to recover the correct answer, even when the original trace is incorrect. This task-relevant information is more prevalent in correct than incorrect CoT runs and is unevenly distributed across tokens, concentrating in mid-to-late layers and appearing earlier in the reasoning trace. Moreover, patching language tokens such as verbs and entities carry task-solving information that steers generation toward correct reasoning, whereas mathematical tokens encode answer-proximal content that rarely succeeds. Patched outputs are often shorter and yet exceed the accuracy of a full CoT trace, suggesting complete reasoning chains are not always necessary. Together, these findings demonstrate that CoT encodes recoverable, token-level problem-solving information, offering new insight into how reasoning is represented and where it breaks down.
Houman Mehrafarin, Amit Parekh, Ioannis Konstas· 0 citations
The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated extraction and structuring of materials data from unstructured scientific literature, using concrete materials as a representative and particularly challenging example. The pipeline exhibits robust performance across a broad range of LLMs and achieves an $F_1$ score of up to 0.98 for diverse composition--process--property attributes. Within one hour, it extracts nearly 9,000 high-quality records with over 100 attributes from a corpus screened from more than 27,000 publications, enabling the construction of the largest open laboratory database for blended cement concrete. Machine learning analyses underscore the importance of large, diverse, and information-rich datasets for enhancing both in-distribution accuracy and out-of-distribution generalization to unseen materials. The proposed pipeline is readily adaptable to other materials domains and accelerates the development of scalable data infrastructures for materials informatics.
Zhanzhao Li, Kengran Yang, Qiyao He et al.· 0 citations
This paper replicates and extends the system used in the AuTexTification shared task for authorship attribution of machine-generated texts. Exact replication was not possible because of differences in data splits, model availability, and implementation details, which we document as a case study in reproducibility. We tested newer multilingual language models (mDeBERTa-v3-base, Qwen, mGPT) and added 26 document-level stylometric features, using ablation, permutation importance, and SHAP analysis to assess feature influence. A single shared configuration was applied to both English and Spanish across Subtask 1 and Subtask 2. Averaged over three random seeds, the shared multilingual configuration performs comparably to or better than the language-specific baseline, with the clearest gains on model attribution (Subtask 2). The additional stylometric features yield small improvements, led by lexical diversity, but their contribution falls within seed variance once predictability-based probabilities are included, which remain the dominant signal. The study also shows that clear documentation is important for reliable replication and fair comparison of systems.
Adam Skurla, Dominik Macko, Jakub Simko· 0 citations
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Conversational assistants powered by large language models (LLMs) excel at tool-use tasks but struggle with adhering to complex, business-specific rules. While models can reason over business rules provided in context, including all policies for every query introduces high latency and wastes compute. Furthermore, these lengthy prompts lead to long contexts, harming overall performance due to the 'needle-in-a-haystack' problem. To address these challenges, we propose a multi-stage alignment method that teaches models to recall and apply relevant business policies during chain-of-thought reasoning at inference time, without including the full business policy in-context. Furthermore, we introduce a novel Policy Recall reward based on the Jaccard score and a Hallucination Penalty for GRPO training. Altogether, our best model outperforms the baseline by 16 points and surpasses comparable in-context baselines of similar model size by 3 points, while using 40% fewer words.
Shubhashis Roy Dipta, Daniel Bis, Kun Zhou et al.· 0 citations
LLMs expand accessibility and provide wide-reaching access to information. Yet these interactions also create opportunities to embed subtle, goal-oriented behaviours that shape what users think and how they behave, a concern reflected in governance frameworks that prohibit manipulative AI. We refer to these behaviours as hidden intentions: covert agendas embedded in a model's outputs that can manipulate users' beliefs and actions. In this work, we examine whether hidden intentions can be identified and characterised, and assess whether detection can serve as a mitigation strategy. To operationalise this, we introduce a social-science-grounded set of ten hidden intention categories and show that they are trivially inducible. A case study further confirms that all ten categories manifest in deployed LLMs. We then evaluate static classifiers and LLM judges on these categories, providing the first systematic analysis of why hidden intentions are difficult to detect. Our stress tests show that, unless false-positive rates are vanishingly small, auditing is dominated by precision-prevalence trade-offs. Capability scaling and reasoning models do not close this gap, suggesting a fundamental challenge for open-world detection. These findings expose a core gap of current AI governance: without new auditing paradigms for open-world, low-prevalence risks, bans on manipulative AI remain difficult to enforce.
Devansh Srivastav, David Pape, Lea Sch\"onherr· 0 citations
Social understanding abilities are crucial for multimodal large language models (MLLMs) to interpret human social interactions. We introduce SOCIAL CAPTION, a framework grounded in interaction theory to evaluate social understanding abilities of MLLMs along three dimensions: Social Inference (SI), the ability to make accurate inferences about interactions; Holistic Social Analysis (HSA), the ability to generate comprehensive descriptions of interactions; Directed Social Analysis (DSA), the ability to generate relevant information from interactions. We analyze factors influencing model performance in social understanding, such as scale, architectural design, and spoken context. Experiments with MLLM judges demonstrate a path towards scaling automated evaluation of multimodal social understanding.
Leena Mathur, Bhaavanaa Thumu, Youssouf Kebe et al.· 0 citations
Large language models (LLMs) increasingly operate in high-stakes settings where demographic attributes such as race and ethnicity may be explicitly stated or implicitly suggested through textual cues. However, existing studies primarily document outcome-level disparities, offering limited insight into internal mechanisms underlying these effects. We present a mechanistic study of how race and ethnicity cues are represented and operationalized within LLMs. Using two publicly available datasets spanning toxicity-related generation and clinical narrative understanding tasks, we analyze three open-source models with a reproducible interpretability pipeline combining probing, neuron-level attribution, and targeted intervention. We find that sensitivity to demographic cues is distributed across internal units and varies substantially across models. These units often align with entangled semantic facets, including explicit group labels, geography, language, culture, and associations related to stereotypes. Interventions on selected units can change some biased prediction patterns, but substantial residual effects remain, suggesting that effective mitigation requires understanding distributed, task-specific mechanisms rather than manipulating a small set of identified neurons alone. Code: https://github.com/LARK-NLP-Lab/LLM-Bias-Interpretability.
Competitive programming remains challenging for code LLMs. Despite recent progress, many training pipelines still depend on scarce real-world data, raising concerns about scalability and near-duplicate benchmark contamination. In this paper, we examine whether synthetic training artifacts can support the complete SFT-to-RL cycle for competitive programming: no real-world tasks, solutions, or test cases are directly used for post-training. To this end, we synthesize tasks, verified solutions, and reliable test cases that serve as reward signals for reinforcement learning. To improve reward reliability, we introduce a dual-verification strategy that reduces noise in both selected solutions and test outputs. Using this high-quality data, we train the X-Coder model series. X-Coder-14B achieves 67.5\% avg@8 on LiveCodeBench v5 and 63.4\% on v6, outperforming its base model by over 40 points. Further analysis provides practical insights into synthetic post-training, highlighting the value of diverse tasks, verified long-CoT supervision, and code-centric reinforcement. Our data and models are released at https://github.com/JieWu02/X-Coder
Image diversity remains a fundamental challenge for text-to-image diffusion models. Low-diversity generation often leads to repetitive outputs, increasing sampling redundancy and hindering both creative exploration and downstream applications. A key factor is the tendency of diffusion models to collapse toward strong modes in the learned distribution. Existing attempts to improve diversity, such as steering-based guidance, often introduce distortions that degrade image quality. To address this issue, we propose Token-Prompt Embedding Space Optimization (TPSO), a training-free and model-agnostic module. TPSO introduces learnable parameters to explore underrepresented regions of the token embedding space, reducing the tendency to repeatedly sample from strong modes of the distribution. Meanwhile, a prompt-level semantic constraint regulates distribution shifts, preventing quality degradation while preserving semantic fidelity. Extensive experiments on MS-COCO across three representative diffusion backbones demonstrate that TPSO substantially improves diversity, boosting performance from 1.10 to 4.18, while maintaining image quality with only a modest inference-time overhead of 3.6% to 8.9%. Code is available at: https://github.com/Open-Debin/TPSO.
Debin Meng, Chen Jin, Zheng Gao et al.· 0 citations
Safety alignment in Large Language Models (LLMs) often involves mediating internal representations to refuse harmful requests. Recent research has demonstrated that these safety mechanisms can be bypassed by ablating or removing specific representational directions within the model. In this paper, we propose the opposite approach: Rank-One Safety Injection (ROSI), a white-box method that amplifies a model's safety alignment by permanently steering its activations toward the refusal-mediating subspace. ROSI operates as a simple, fine-tuning-free rank-one weight modification applied to all residual stream write matrices. The required safety direction can be computed from a small set of harmful and harmless instruction pairs. We show that ROSI consistently increases safety refusal rates - as evaluated by Llama Guard 3 - while preserving the utility of the model on standard benchmarks such as MMLU, HellaSwag, and Arc. Furthermore, we show that ROSI can also re-align 'uncensored' models by amplifying their own latent safety directions, demonstrating its utility as an effective last-mile safety procedure. Our results suggest that targeted, interpretable weight steering is a cheap and potent mechanism to improve LLM safety, complementing more resource-intensive fine-tuning paradigms.
Harethah Abu Shairah, Hasan Abed Al Kader Hammoud, George Turkiyyah et al.· 0 citations
Configuration optimization remains a critical bottleneck in machine learning, requiring coordinated tuning across model architecture, training strategy, feature engineering, and hyperparameters. Traditional approaches treat these dimensions independently and lack interpretability, while recent automated methods struggle with dynamic adaptability and semantic reasoning about optimization decisions. We introduce Language-Guided Tuning (LGT), a framework that employs multi-agent Large Language Models to automatically optimize configurations through natural language reasoning. We apply textual feedback signals that complement numerical optimization by providing semantic understanding of training dynamics and configuration interdependencies. LGT coordinates three specialized agents: an Advisor that proposes configuration changes, an Evaluator that assesses progress, and an Optimizer that refines the decision-making process, creating a self-improving feedback loop. Through comprehensive evaluation on seven diverse datasets, LGT demonstrates substantial improvements over traditional optimization methods while maintaining high interpretability.
Yuxing Lu, Yucheng Hu, Nan Sun et al.· 0 citations
With millions of users across the world, Julia has been used to conduct cutting-edge research and to design new drugs, jet engines, heat pumps, and more.
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
New MIT research could lead to better materials for a fossil-fuel-free process for making the chemical that's essential to fertilizer and other products.
