A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers

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

SynBrain: Enhancing Visual-to-fMRI Synthesis via Probabilistic Representation Learning

Deciphering how visual stimuli are transformed into cortical responses is a fundamental challenge in computational neuroscience. This visual-to-neural mapping is inherently a one-to-many relationship, as identical visual inputs reliably evoke variable hemodynamic responses across trials, contexts, and subjects. However, existing deterministic methods struggle to simultaneously model this biological variability while capturing the underlying functional consistency that encodes stimulus information. To address these limitations, we propose SynBrain, a generative framework that simulates the transformation from visual semantics to neural responses in a probabilistic and biologically interpretable manner. SynBrain introduces two key components: (i) BrainVAE models neural representations as continuous probability distributions via probabilistic learning while maintaining functional consistency through visual semantic constraints; (ii) A Semantic-to-Neural Mapper acts as a semantic transmission pathway, projecting visual semantics into the neural response manifold to facilitate high-fidelity fMRI synthesis. Experimental results demonstrate that SynBrain surpasses state-of-the-art methods in subject-specific visual-to-fMRI encoding performance. Furthermore, SynBrain adapts efficiently to new subjects with few-shot data and synthesizes high-quality fMRI signals that are effective in improving data-limited fMRI-to-image decoding performance. Beyond that, SynBrain reveals functional consistency across trials and subjects, with synthesized signals capturing interpretable patterns shaped by biological neural variability. The code will be made publicly available.

MindAligner: Explicit Brain Functional Alignment for Cross-Subject Visual Decoding from Limited fMRI Data

Brain decoding aims to reconstruct visual perception of human subject from fMRI signals, which is crucial for understanding brain's perception mechanisms. Existing methods are confined to the single-subject paradigm due to substantial brain variability, which leads to weak generalization across individuals and incurs high training costs, exacerbated by limited availability of fMRI data. To address these challenges, we propose MindAligner, an explicit functional alignment framework for cross-subject brain decoding from limited fMRI data. The proposed MindAligner enjoys several merits. First, we learn a Brain Transfer Matrix (BTM) that projects the brain signals of an arbitrary new subject to one of the known subjects, enabling seamless use of pre-trained decoding models. Second, to facilitate reliable BTM learning, a Brain Functional Alignment module is proposed to perform soft cross-subject brain alignment under different visual stimuli with a multi-level brain alignment loss, uncovering fine-grained functional correspondences with high interpretability. Experiments indicate that MindAligner not only outperforms existing methods in visual decoding under data-limited conditions, but also provides valuable neuroscience insights in cross-subject functional analysis. The code will be made publicly available.

Neuro-3D: Towards 3D Visual Decoding from EEG Signals

Human's perception of the visual world is shaped by the stereo processing of 3D information. Understanding how the brain perceives and processes 3D visual stimuli in the real world has been a longstanding endeavor in neuroscience. Towards this goal, we introduce a new neuroscience task: decoding 3D visual perception from EEG signals, a neuroimaging technique that enables real-time monitoring of neural dynamics enriched with complex visual cues. To provide the essential benchmark, we first present EEG-3D, a pioneering dataset featuring multimodal analysis data and extensive EEG recordings from 12 subjects viewing 72 categories of 3D objects rendered in both videos and images. Furthermore, we propose Neuro-3D, a 3D visual decoding framework based on EEG signals. This framework adaptively integrates EEG features derived from static and dynamic stimuli to learn complementary and robust neural representations, which are subsequently utilized to recover both the shape and color of 3D objects through the proposed diffusion-based colored point cloud decoder. To the best of our knowledge, we are the first to explore EEG-based 3D visual decoding. Experiments indicate that Neuro-3D not only reconstructs colored 3D objects with high fidelity, but also learns effective neural representations that enable insightful brain region analysis. The dataset and associated code will be made publicly available.