Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This shift is increasingly feasible, as scientific tools and models can be invoked through stable interfaces and verified with recorded execution traces, and increasingly necessary, as AI accelerates scientific output and stresses the peer-review and publication pipeline, raising the bar for traceability and credible evaluation. However, scaling agentic science remains difficult: workflows are hard to observe and reproduce; many tools and laboratory systems are not agent-ready; execution is hard to trace and govern; and prototype AI Scientist systems are often bespoke, limiting reuse and systematic improvement from real workflow signals. We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated in Bohrium+SciMaster. Bohrium acts as a managed, traceable hub for AI4S assets -- akin to a HuggingFace of AI for Science -- that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities. SciMaster orchestrates these capabilities into long-horizon scientific workflows, on which scientific agents can be composed and executed. Between infrastructure and orchestration, a \emph{scientific intelligence substrate} organizes reusable models, knowledge, and components into executable building blocks for workflow reasoning and action, enabling composition, auditability, and improvement through use. We demonstrate this stack with eleven representative master agents in real workflows, achieving orders-of-magnitude reductions in end-to-end scientific cycle time and generating execution-grounded signals from real workloads at multi-million scale.

Uni-Parser Technical Report

This technical report introduces Uni-Parser, an industrial-grade document parsing engine tailored for scientific literature and patents, delivering high throughput, robust accuracy, and cost efficiency. Unlike pipeline-based document parsing methods, Uni-Parser employs a modular, loosely coupled multi-expert architecture that preserves fine-grained cross-modal alignments across text, equations, tables, figures, and chemical structures, while remaining easily extensible to emerging modalities. The system incorporates adaptive GPU load balancing, distributed inference, dynamic module orchestration, and configurable modes that support either holistic or modality-specific parsing. Optimized for large-scale cloud deployment, Uni-Parser achieves a processing rate of up to 20 PDF pages per second on 8 x NVIDIA RTX 4090D GPUs, enabling cost-efficient inference across billions of pages. This level of scalability facilitates a broad spectrum of downstream applications, ranging from literature retrieval and summarization to the extraction of chemical structures, reaction schemes, and bioactivity data, as well as the curation of large-scale corpora for training next-generation large language models and AI4Science models.

PAC-Bayes Bounds for Multivariate Linear Regression and Linear Autoencoders

Linear Autoencoders (LAEs) have shown strong performance in state-of-the-art recommender systems. However, this success remains largely empirical, with limited theoretical understanding. In this paper, we investigate the generalizability -- a theoretical measure of model performance in statistical learning -- of multivariate linear regression and LAEs. We first propose a PAC-Bayes bound for multivariate linear regression, extending the earlier bound for single-output linear regression by Shalaeva et al., and establish sufficient conditions for its convergence. We then show that LAEs, when evaluated under a relaxed mean squared error, can be interpreted as constrained multivariate linear regression models on bounded data, to which our bound adapts. Furthermore, we develop theoretical methods to improve the computational efficiency of optimizing the LAE bound, enabling its practical evaluation on large models and real-world datasets. Experimental results demonstrate that our bound is tight and correlates well with practical ranking metrics such as Recall@K and NDCG@K.

D4C: Data-free Quantization for Contrastive Language-Image Pre-training Models

Data-Free Quantization (DFQ) offers a practical solution for model compression without requiring access to real data, making it particularly attractive in privacy-sensitive scenarios. While DFQ has shown promise for unimodal models, its extension to Vision-Language Models such as Contrastive Language-Image Pre-training (CLIP) models remains underexplored. In this work, we reveal that directly applying existing DFQ techniques to CLIP results in substantial performance degradation due to two key limitations: insufficient semantic content and low intra-image diversity in synthesized samples. To tackle these challenges, we propose D4C, the first DFQ framework tailored for CLIP. D4C synthesizes semantically rich and structurally diverse pseudo images through three key components: (1) Prompt-Guided Semantic Injection aligns generated images with real-world semantics using text prompts; (2) Structural Contrastive Generation reproduces compositional structures of natural images by leveraging foreground-background contrastive synthesis; and (3) Perturbation-Aware Enhancement applies controlled perturbations to improve sample diversity and robustness. These components jointly empower D4C to synthesize images that are both semantically informative and structurally diverse, effectively bridging the performance gap of DFQ on CLIP. Extensive experiments validate the effectiveness of D4C, showing significant performance improvements on various bit-widths and models. For example, under the W4A8 setting with CLIP ResNet-50 and ViT-B/32, D4C achieves Top-1 accuracy improvement of 12.4% and 18.9% on CIFAR-10, 6.8% and 19.7% on CIFAR-100, and 1.4% and 5.7% on ImageNet-1K in zero-shot classification, respectively.

Adapformer: Adaptive Channel Management for Multivariate Time Series Forecasting

In multivariate time series forecasting (MTSF), accurately modeling the intricate dependencies among multiple variables remains a significant challenge due to the inherent limitations of traditional approaches. Most existing models adopt either \textbf{channel-independent} (CI) or \textbf{channel-dependent} (CD) strategies, each presenting distinct drawbacks. CI methods fail to leverage the potential insights from inter-channel interactions, resulting in models that may not fully exploit the underlying statistical dependencies present in the data. Conversely, CD approaches often incorporate too much extraneous information, risking model overfitting and predictive inefficiency. To address these issues, we introduce the Adaptive Forecasting Transformer (\textbf{Adapformer}), an advanced Transformer-based framework that merges the benefits of CI and CD methodologies through effective channel management. The core of Adapformer lies in its dual-stage encoder-decoder architecture, which includes the \textbf{A}daptive \textbf{C}hannel \textbf{E}nhancer (\textbf{ACE}) for enriching embedding processes and the \textbf{A}daptive \textbf{C}hannel \textbf{F}orecaster (\textbf{ACF}) for refining the predictions. ACE enhances token representations by selectively incorporating essential dependencies, while ACF streamlines the decoding process by focusing on the most relevant covariates, substantially reducing noise and redundancy. Our rigorous testing on diverse datasets shows that Adapformer achieves superior performance over existing models, enhancing both predictive accuracy and computational efficiency, thus making it state-of-the-art in MTSF.

Disentangling Emotional Bases and Transient Fluctuations: A Low-Rank Sparse Decomposition Approach for Video Affective Analysis

Video-based Affective Computing (VAC), vital for emotion analysis and human-computer interaction, suffers from model instability and representational degradation due to complex emotional dynamics. Since the meaning of different emotional fluctuations may differ under different emotional contexts, the core limitation is the lack of a hierarchical structural mechanism to disentangle distinct affective components, i.e., emotional bases (the long-term emotional tone), and transient fluctuations (the short-term emotional fluctuations). To address this, we propose the Low-Rank Sparse Emotion Understanding Framework (LSEF), a unified model grounded in the Low-Rank Sparse Principle, which theoretically reframes affective dynamics as a hierarchical low-rank sparse compositional process. LSEF employs three plug-and-play modules, i.e., the Stability Encoding Module (SEM) captures low-rank emotional bases; the Dynamic Decoupling Module (DDM) isolates sparse transient signals; and the Consistency Integration Module (CIM) reconstructs multi-scale stability and reactivity coherence. This framework is optimized by a Rank Aware Optimization (RAO) strategy that adaptively balances gradient smoothness and sensitivity. Extensive experiments across multiple datasets confirm that LSEF significantly enhances robustness and dynamic discrimination, which further validates the effectiveness and generality of hierarchical low-rank sparse modeling for understanding affective dynamics.

NeuroBridge: Bio-Inspired Self-Supervised EEG-to-Image Decoding via Cognitive Priors and Bidirectional Semantic Alignment

Visual neural decoding seeks to reconstruct or infer perceived visual stimuli from brain activity patterns, providing critical insights into human cognition and enabling transformative applications in brain-computer interfaces and artificial intelligence. Current approaches, however, remain constrained by the scarcity of high-quality stimulus-brain response pairs and the inherent semantic mismatch between neural representations and visual content. Inspired by perceptual variability and co-adaptive strategy of the biological systems, we propose a novel self-supervised architecture, named NeuroBridge, which integrates Cognitive Prior Augmentation (CPA) with Shared Semantic Projector (SSP) to promote effective cross-modality alignment. Specifically, CPA simulates perceptual variability by applying asymmetric, modality-specific transformations to both EEG signals and images, enhancing semantic diversity. Unlike previous approaches, SSP establishes a bidirectional alignment process through a co-adaptive strategy, which mutually aligns features from two modalities into a shared semantic space for effective cross-modal learning. NeuroBridge surpasses previous state-of-the-art methods under both intra-subject and inter-subject settings. In the intra-subject scenario, it achieves the improvements of 12.3% in top-1 accuracy and 10.2% in top-5 accuracy, reaching 63.2% and 89.9% respectively on a 200-way zero-shot retrieval task. Extensive experiments demonstrate the effectiveness, robustness, and scalability of the proposed framework for neural visual decoding.

Evaluating LLM Alignment on Personality Inference from Real-World Interview Data

Large Language Models (LLMs) are increasingly deployed in roles requiring nuanced psychological understanding, such as emotional support agents, counselors, and decision-making assistants. However, their ability to interpret human personality traits, a critical aspect of such applications, remains unexplored, particularly in ecologically valid conversational settings. While prior work has simulated LLM "personas" using discrete Big Five labels on social media data, the alignment of LLMs with continuous, ground-truth personality assessments derived from natural interactions is largely unexamined. To address this gap, we introduce a novel benchmark comprising semi-structured interview transcripts paired with validated continuous Big Five trait scores. Using this dataset, we systematically evaluate LLM performance across three paradigms: (1) zero-shot and chain-of-thought prompting with GPT-4.1 Mini, (2) LoRA-based fine-tuning applied to both RoBERTa and Meta-LLaMA architectures, and (3) regression using static embeddings from pretrained BERT and OpenAI's text-embedding-3-small. Our results reveal that all Pearson correlations between model predictions and ground-truth personality traits remain below 0.26, highlighting the limited alignment of current LLMs with validated psychological constructs. Chain-of-thought prompting offers minimal gains over zero-shot, suggesting that personality inference relies more on latent semantic representation than explicit reasoning. These findings underscore the challenges of aligning LLMs with complex human attributes and motivate future work on trait-specific prompting, context-aware modeling, and alignment-oriented fine-tuning.

TimeSeriesGym: A Scalable Benchmark for (Time Series) Machine Learning Engineering Agents

We introduce TimeSeriesGym, a scalable benchmarking framework for evaluating Artificial Intelligence (AI) agents on time series machine learning engineering challenges. Existing benchmarks lack scalability, focus narrowly on model building in well-defined settings, and evaluate only a limited set of research artifacts (e.g., CSV submission files). To make AI agent benchmarking more relevant to the practice of machine learning engineering, our framework scales along two critical dimensions. First, recognizing that effective ML engineering requires a range of diverse skills, TimeSeriesGym incorporates challenges from diverse sources spanning multiple domains and tasks. We design challenges to evaluate both isolated capabilities (including data handling, understanding research repositories, and code translation) and their combinations, and rather than addressing each challenge independently, we develop tools that support designing multiple challenges at scale. Second, we implement evaluation mechanisms for multiple research artifacts, including submission files, code, and models, using both precise numeric measures and more flexible LLM-based evaluation approaches. This dual strategy balances objective assessment with contextual judgment. Although our initial focus is on time series applications, our framework can be readily extended to other data modalities, broadly enhancing the comprehensiveness and practical utility of agentic AI evaluation. We open-source our benchmarking framework to facilitate future research on the ML engineering capabilities of AI agents.

CheXLearner: Text-Guided Fine-Grained Representation Learning for Progression Detection

Temporal medical image analysis is essential for clinical decision-making, yet existing methods either align images and text at a coarse level - causing potential semantic mismatches - or depend solely on visual information, lacking medical semantic integration. We present CheXLearner, the first end-to-end framework that unifies anatomical region detection, Riemannian manifold-based structure alignment, and fine-grained regional semantic guidance. Our proposed Med-Manifold Alignment Module (Med-MAM) leverages hyperbolic geometry to robustly align anatomical structures and capture pathologically meaningful discrepancies across temporal chest X-rays. By introducing regional progression descriptions as supervision, CheXLearner achieves enhanced cross-modal representation learning and supports dynamic low-level feature optimization. Experiments show that CheXLearner achieves 81.12% (+17.2%) average accuracy and 80.32% (+11.05%) F1-score on anatomical region progression detection - substantially outperforming state-of-the-art baselines, especially in structurally complex regions. Additionally, our model attains a 91.52% average AUC score in downstream disease classification, validating its superior feature representation.