Overview
FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction
Cremer, Julian, Le, Tuan, Ghahremanpour, Mohammad M., Sługocka, Emilia, Menezes, Filipe, Clevert, Djork-Arné
We present FLOWR:root, an equivariant flow-matching model for pocket-aware 3D ligand generation with joint binding affinity prediction and confidence estimation. The model supports de novo generation, pharmacophore-conditional sampling, fragment elaboration, and multi-endpoint affinity prediction (pIC50, pKi, pKd, pEC50). Training combines large-scale ligand libraries with mixed-fidelity protein-ligand complexes, followed by refinement on curated co-crystal datasets and parameter-efficient finetuning for project-specific adaptation. FLOWR:root achieves state-of-the-art performance in unconditional 3D molecule generation and pocket-conditional ligand design, producing geometrically realistic, low-strain structures. The integrated affinity prediction module demonstrates superior accuracy on the SPINDR test set and outperforms recent models on the Schrodinger FEP+/OpenFE benchmark with substantial speed advantages. As a foundation model, FLOWR:root requires finetuning on project-specific datasets to account for unseen structure-activity landscapes, yielding strong correlation with experimental data. Joint generation and affinity prediction enable inference-time scaling through importance sampling, steering molecular design toward higher-affinity compounds. Case studies validate this: selective CK2$α$ ligand generation against CLK3 shows significant correlation between predicted and quantum-mechanical binding energies, while ER$α$, TYK2 and BACE1 scaffold elaboration demonstrates strong agreement with QM calculations. By integrating structure-aware generation, affinity estimation, and property-guided sampling, FLOWR:root provides a comprehensive foundation for structure-based drug design spanning hit identification through lead optimization.
Findings of the Fourth Shared Task on Multilingual Coreference Resolution: Can LLMs Dethrone Traditional Approaches?
Novák, Michal, Konopík, Miloslav, Nedoluzhko, Anna, Popel, Martin, Pražák, Ondřej, Sido, Jakub, Straka, Milan, Žabokrtský, Zdeněk, Zeman, Daniel
The paper presents an overview of the fourth edition of the Shared Task on Multilingual Coreference Resolution, organized as part of the CODI-CRAC 2025 workshop. As in the previous editions, participants were challenged to develop systems that identify mentions and cluster them according to identity coreference. A key innovation of this year's task was the introduction of a dedicated Large Language Model (LLM) track, featuring a simplified plaintext format designed to be more suitable for LLMs than the original CoNLL-U representation. The task also expanded its coverage with three new datasets in two additional languages, using version 1.3 of CorefUD - a harmonized multilingual collection of 22 datasets in 17 languages. In total, nine systems participated, including four LLM-based approaches (two fine-tuned and two using few-shot adaptation). While traditional systems still kept the lead, LLMs showed clear potential, suggesting they may soon challenge established approaches in future editions.
MCTED: A Machine-Learning-Ready Dataset for Digital Elevation Model Generation From Mars Imagery
Osadnik, Rafał, Gómez, Pablo, Bohacek, Eleni, Bahia, Rickbir
This work presents a new dataset for the Martian digital elevation model prediction task, ready for machine learning applications called MCTED. The dataset has been generated using a comprehensive pipeline designed to process high-resolution Mars orthoimage and DEM pairs from Day et al., yielding a dataset consisting of 80,898 data samples. The source images are data gathered by the Mars Reconnaissance Orbiter using the CTX instrument, providing a very diverse and comprehensive coverage of the Martian surface. Given the complexity of the processing pipelines used in large-scale DEMs, there are often artefacts and missing data points in the original data, for which we developed tools to solve or mitigate their impact. We divide the processed samples into training and validation splits, ensuring samples in both splits cover no mutual areas to avoid data leakage. Every sample in the dataset is represented by the optical image patch, DEM patch, and two mask patches, indicating values that were originally missing or were altered by us. This allows future users of the dataset to handle altered elevation regions as they please. We provide statistical insights of the generated dataset, including the spatial distribution of samples, the distributions of elevation values, slopes and more. Finally, we train a small U-Net architecture on the MCTED dataset and compare its performance to a monocular depth estimation foundation model, DepthAnythingV2, on the task of elevation prediction. We find that even a very small architecture trained on this dataset specifically, beats a zero-shot performance of a depth estimation foundation model like DepthAnythingV2. We make the dataset and code used for its generation completely open source in public repositories.
Text2VectorSQL: Towards a Unified Interface for Vector Search and SQL Queries
Wang, Zhengren, Yao, Dongwen, Li, Bozhou, Ma, Dongsheng, Li, Bo, Li, Zhiyu, Xiong, Feiyu, Cui, Bin, Tang, Linpeng, Zhang, Wentao
The proliferation of unstructured data poses a fundamental challenge to traditional database interfaces. While Text-to-SQL has democratized access to structured data, it remains incapable of interpreting semantic or multi-modal queries. Concurrently, vector search has emerged as the de facto standard for querying unstructured data, but its integration with SQL-termed VectorSQL-still relies on manual query crafting and lacks standardized evaluation methodologies, creating a significant gap between its potential and practical application. To bridge this fundamental gap, we introduce and formalize Text2VectorSQL, a novel task to establish a unified natural language interface for seamlessly querying both structured and unstructured data. To catalyze research in this new domain, we present a comprehensive foundational ecosystem, including: (1) A scalable and robust pipeline for synthesizing high-quality Text-to-VectorSQL training data. (2) VectorSQLBench, the first large-scale, multi-faceted benchmark for this task, encompassing 12 distinct combinations across three database backends (SQLite, PostgreSQL, ClickHouse) and four data sources (BIRD, Spider, arXiv, Wikipedia). (3) Several novel evaluation metrics designed for more nuanced performance analysis. Extensive experiments not only confirm strong baseline performance with our trained models, but also reveal the recall degradation challenge: the integration of SQL filters with vector search can lead to more pronounced result omissions than in conventional filtered vector search. By defining the core task, delivering the essential data and evaluation infrastructure, and identifying key research challenges, our work lays the essential groundwork to build the next generation of unified and intelligent data interfaces. Our repository is available at https://github.com/OpenDCAI/Text2VectorSQL.
Robustness in Large Language Models: A Survey of Mitigation Strategies and Evaluation Metrics
Kumar, Pankaj, Mishra, Subhankar
Large Language Models (LLMs) have emerged as a promising cornerstone for the development of natural language processing (NLP) and artificial intelligence (AI). However, ensuring the robustness of LLMs remains a critical challenge. To address these challenges and advance the field, this survey provides a comprehensive overview of current studies in this area. First, we systematically examine the nature of robustness in LLMs, including its conceptual foundations, the importance of consistent performance across diverse inputs, and the implications of failure modes in real-world applications. Next, we analyze the sources of non-robustness, categorizing intrinsic model limitations, data-driven vulnerabilities, and external adversarial factors that compromise reliability. Following this, we review state-of-the-art mitigation strategies, and then we discuss widely adopted benchmarks, emerging metrics, and persistent gaps in assessing real-world reliability. Finally, we synthesize findings from existing surveys and interdisciplinary studies to highlight trends, unresolved issues, and pathways for future research.
RLHF: A comprehensive Survey for Cultural, Multimodal and Low Latency Alignment Methods
Sharma, Raghav, Mehta, Manan, Raina, Sai Tiger
Reinforcement Learning from Human Feedback (RLHF) is the standard for aligning Large Language Models (LLMs), yet recent progress has moved beyond canonical text-based methods. This survey synthesizes the new frontier of alignment research by addressing critical gaps in multi-modal alignment, cultural fairness, and low-latency optimization. To systematically explore these domains, we first review foundational algo- rithms, including PPO, DPO, and GRPO, before presenting a detailed analysis of the latest innovations. By providing a comparative synthesis of these techniques and outlining open challenges, this work serves as an essential roadmap for researchers building more robust, efficient, and equitable AI systems.
Travel ancient Rome's 186,000 miles of roads in new online atlas
Itiner-e suggests the empire's routes were almost double previous estimates. Breakthroughs, discoveries, and DIY tips sent every weekday. The Roman Empire paved the way for many modern advancements--including streets themselves. At its apex during the second century CE, the vast empire encompassed more than 55 million citizens living between present-day Britain to the west and as far east as Syria. But after almost 2,000 years, today's historians still lack a complete understanding of the empire's myriad routes.
Reinforcement Learning Foundations for Deep Research Systems: A Survey
Li, Wenjun, Chen, Zhi, Lin, Jingru, Cao, Hannan, Han, Wei, Liang, Sheng, Zhang, Zhi, Dong, Kuicai, Li, Dexun, Zhang, Chen, Liu, Yong
Deep research systems, agentic AI that solve complex, multi-step tasks by coordinating reasoning, search across the open web and user files, and tool use, are moving toward hierarchical deployments with a Planner, Coordinator, and Executors. In practice, training entire stacks end-to-end remains impractical, so most work trains a single planner connected to core tools such as search, browsing, and code. While SFT imparts protocol fidelity, it suffers from imitation and exposure biases and underuses environment feedback. Preference alignment methods such as DPO are schema and proxy-dependent, off-policy, and weak for long-horizon credit assignment and multi-objective trade-offs. A further limitation of SFT and DPO is their reliance on human defined decision points and subskills through schema design and labeled comparisons. Reinforcement learning aligns with closed-loop, tool-interaction research by optimizing trajectory-level policies, enabling exploration, recovery behaviors, and principled credit assignment, and it reduces dependence on such human priors and rater biases. This survey is, to our knowledge, the first dedicated to the RL foundations of deep research systems. It systematizes recent work along three axes: (i) data synthesis and curation; (ii) RL methods for agentic research covering stability, sample efficiency, long context handling, reward and credit design, multi-objective optimization, and multimodal integration; and (iii) agentic RL training systems and frameworks. We also cover agent architecture and coordination, as well as evaluation and benchmarks, including recent QA, VQA, long-form synthesis, and domain-grounded, tool-interaction tasks. We distill recurring patterns, surface infrastructure bottlenecks, and offer practical guidance for training robust, transparent deep research agents with RL.
When Generative Artificial Intelligence meets Extended Reality: A Systematic Review
Ning, Xinyu, Zhuo, Yan, Wang, Xian, Sio, Chan-In Devin, Lee, Lik-Hang
With the continuous advancement of technology, the application of generative artificial intelligence (AI) in various fields is gradually demonstrating great potential, particularly when combined with Extended Reality (XR), creating unprecedented possibilities. This survey article systematically reviews the applications of generative AI in XR, covering as much relevant literature as possible from 2023 to 2025. The application areas of generative AI in XR and its key technology implementations are summarised through PRISMA screening and analysis of the final 26 articles. The survey highlights existing articles from the last three years related to how XR utilises generative AI, providing insights into current trends and research gaps. We also explore potential opportunities for future research to further empower XR through generative AI, providing guidance and information for future generative XR research.
SciDaSynth: Interactive Structured Data Extraction from Scientific Literature with Large Language Model
Wang, Xingbo, Huey, Samantha L., Sheng, Rui, Mehta, Saurabh, Wang, Fei
The explosion of scientific literature has made the efficient and accurate extraction of structured data a critical component for advancing scientific knowledge and supporting evidence-based decision-making. However, existing tools often struggle to extract and structure multimodal, varied, and inconsistent information across documents into standardized formats. We introduce SciDaSynth, a novel interactive system powered by large language models (LLMs) that automatically generates structured data tables according to users' queries by integrating information from diverse sources, including text, tables, and figures. Furthermore, SciDaSynth supports efficient table data validation and refinement, featuring multi-faceted visual summaries and semantic grouping capabilities to resolve cross-document data inconsistencies. A within-subjects study with nutrition and NLP researchers demonstrates SciDaSynth's effectiveness in producing high-quality structured data more efficiently than baseline methods. We discuss design implications for human-AI collaborative systems supporting data extraction tasks. The system code is available at https://github.com/xingbow/SciDaEx