Daily Papers

Compound identification and structure annotation from mass spectra is a well-established task widely applied in drug detection, criminal forensics, small molecule biomarker discovery and chemical engineering. We propose SpecTUS: Spectral Translator for Unknown Structures, a deep neural model that addresses the task of structural annotation of small molecules from low-resolution gas chromatography electron ionization mass spectra (GC-EI-MS). Our model analyzes the spectra in de novo manner -- a direct translation from the spectra into 2D-structural representation. Our approach is particularly useful for analyzing compounds unavailable in spectral libraries. In a rigorous evaluation of our model on the novel structure annotation task across different libraries, we outperformed standard database search techniques by a wide margin. On a held-out testing set, including 28267 spectra from the NIST database, we show that our model's single suggestion perfectly reconstructs 43\% of the subset's compounds. This single suggestion is strictly better than the candidate of the database hybrid search (common method among practitioners) in 76\% of cases. In a~still affordable scenario of~10 suggestions, perfect reconstruction is achieved in 65\%, and 84\% are better than the hybrid search.

With the widespread use of mobile phones and scanners to photograph and upload documents, the need for extracting the information trapped in unstructured document images such as retail receipts, insurance claim forms and financial invoices is becoming more acute. A major hurdle to this objective is that these images often contain information in the form of tables and extracting data from tabular sub-images presents a unique set of challenges. This includes accurate detection of the tabular region within an image, and subsequently detecting and extracting information from the rows and columns of the detected table. While some progress has been made in table detection, extracting the table contents is still a challenge since this involves more fine grained table structure(rows & columns) recognition. Prior approaches have attempted to solve the table detection and structure recognition problems independently using two separate models. In this paper, we propose TableNet: a novel end-to-end deep learning model for both table detection and structure recognition. The model exploits the interdependence between the twin tasks of table detection and table structure recognition to segment out the table and column regions. This is followed by semantic rule-based row extraction from the identified tabular sub-regions. The proposed model and extraction approach was evaluated on the publicly available ICDAR 2013 and Marmot Table datasets obtaining state of the art results. Additionally, we demonstrate that feeding additional semantic features further improves model performance and that the model exhibits transfer learning across datasets. Another contribution of this paper is to provide additional table structure annotations for the Marmot data, which currently only has annotations for table detection.

Nanobodies, single-domain antibody fragments derived from camelid heavy-chain-only antibodies, exhibit unique advantages such as compact size, high stability, and strong binding affinity, making them valuable tools in therapeutics and diagnostics. While recent advances in pretrained protein and antibody language models (PPLMs and PALMs) have greatly enhanced biomolecular understanding, nanobody-specific modeling remains underexplored and lacks a unified benchmark. To address this gap, we introduce NbBench, the first comprehensive benchmark suite for nanobody representation learning. Spanning eight biologically meaningful tasks across nine curated datasets, NbBench encompasses structure annotation, binding prediction, and developability assessment. We systematically evaluate eleven representative models--including general-purpose protein LMs, antibody-specific LMs, and nanobody-specific LMs--in a frozen setting. Our analysis reveals that antibody language models excel in antigen-related tasks, while performance on regression tasks such as thermostability and affinity remains challenging across all models. Notably, no single model consistently outperforms others across all tasks. By standardizing datasets, task definitions, and evaluation protocols, NbBench offers a reproducible foundation for assessing and advancing nanobody modeling.

Recently, there has been growing interest in developing learning-based methods to detect and utilize salient semi-global or global structures, such as junctions, lines, planes, cuboids, smooth surfaces, and all types of symmetries, for 3D scene modeling and understanding. However, the ground truth annotations are often obtained via human labor, which is particularly challenging and inefficient for such tasks due to the large number of 3D structure instances (e.g., line segments) and other factors such as viewpoints and occlusions. In this paper, we present a new synthetic dataset, Structured3D, with the aim of providing large-scale photo-realistic images with rich 3D structure annotations for a wide spectrum of structured 3D modeling tasks. We take advantage of the availability of professional interior designs and automatically extract 3D structures from them. We generate high-quality images with an industry-leading rendering engine. We use our synthetic dataset in combination with real images to train deep networks for room layout estimation and demonstrate improved performance on benchmark datasets.

Chain-of-Thought (CoT) reasoning has proven effective in natural language tasks but remains underexplored in multimodal alignment. This study investigates its integration into 3D vision-language learning by embedding structured reasoning into alignment training. We introduce the 3D-CoT Benchmark, a dataset with hierarchical CoT annotations covering shape recognition, functional inference, and causal reasoning. Through controlled experiments, we compare CoT-structured and standard textual annotations across large reasoning models (LRMs) and large language models (LLMs). Our evaluation employs a dual-layer framework assessing both intermediate reasoning and final inference quality. Extensive experiments demonstrate that CoT significantly improves 3D semantic grounding, with LRMs leveraging CoT more effectively than LLMs. Furthermore, we highlight that annotation structure influences performance-explicit reasoning markers aid LLMs, while unmarked CoT better aligns with LRM inference patterns. Our analyses suggest that CoT is crucial for enhancing multimodal reasoning, with implications beyond 3D tasks.

Existing visual parsers for molecule diagrams translate pixel-based raster images such as PNGs to chemical structure representations (e.g., SMILES). However, PDFs created by word processors including LaTeX and Word provide explicit locations and shapes for characters, lines, and polygons. We extract symbols from born-digital PDF molecule images and then apply simple graph transformations to capture both visual and chemical structure in editable ChemDraw files (CDXML). Our fast ( PDF rightarrow visual graph rightarrow chemical graph ) pipeline does not require GPUs, Optical Character Recognition (OCR) or vectorization. We evaluate on standard benchmarks using SMILES strings, along with a novel evaluation that provides graph-based metrics and error compilation using LgEval. The geometric information in born-digital PDFs produces a highly accurate parser, motivating generating training data for visual parsers that recognize from raster images, with extracted graphics, visual structure, and chemical structure as annotations. To do this we render SMILES strings in Indigo, parse molecule structure, and then validate recognized structure to select correct files.

In precision medicine, quantitative multi-omic features, topological context, and textual biological knowledge play vital roles in identifying disease-critical signaling pathways and targets. Existing pipelines capture only part of these-numerical omics ignore topological context, text-centric LLMs lack quantitative grounded reasoning, and graph-only models underuse node semantics and the generalization of LLMs-limiting mechanistic interpretability. Although Process Reward Models (PRMs) aim to guide reasoning in LLMs, they remain limited by unreliable intermediate evaluation, and vulnerability to reward hacking with computational cost. These gaps motivate integrating quantitative multi-omic signals, topological structure with node annotations, and literature-scale text via LLMs, using subgraph reasoning as the principle bridge linking numeric evidence, topological knowledge and language context. Therefore, we propose GALAX (Graph Augmented LAnguage model with eXplainability), an innovative framework that integrates pretrained Graph Neural Networks (GNNs) into Large Language Models (LLMs) via reinforcement guided by a Graph Process Reward Model (GPRM), which generates disease-relevant subgraphs in a step-wise manner initiated by an LLM and iteratively evaluated by a pretrained GNN, enabling process-level supervision without explicit intermediate reasoning annotations. As an application, we also introduced Target-QA, a benchmark combining CRISPR-identified targets, multi-omic profiles, and biomedical graph knowledge across diverse cancer cell lines, which enables GNN pretraining for supervising step-wise graph construction and supports long-context reasoning over text-numeric graphs (TNGs), providing a scalable and biologically grounded framework for explainable, reinforcement-guided subgraph reasoning toward reliable and interpretable target and pathway discovery in precision medicine.

Large-scale datasets are essential to modern day deep learning. Advocates argue that understanding these methods requires dataset transparency (e.g. "dataset curation, motivation, composition, collection process, etc..."). However, almost no one has suggested the release of the detailed definitions and visual category examples provided to annotators - information critical to understanding the structure of the annotations present in each dataset. These labels are at the heart of public datasets, yet few datasets include the instructions that were used to generate them. We introduce a new task, Labeling Instruction Generation, to address missing publicly available labeling instructions. In Labeling Instruction Generation, we take a reasonably annotated dataset and: 1) generate a set of examples that are visually representative of each category in the dataset; 2) provide a text label that corresponds to each of the examples. We introduce a framework that requires no model training to solve this task and includes a newly created rapid retrieval system that leverages a large, pre-trained vision and language model. This framework acts as a proxy to human annotators that can help to both generate a final labeling instruction set and evaluate its quality. Our framework generates multiple diverse visual and text representations of dataset categories. The optimized instruction set outperforms our strongest baseline across 5 folds by 7.06 mAP for NuImages and 12.9 mAP for COCO.

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its relevance to protein function. To address this issue, we introduce the integration of remote homology detection to distill structural information into protein language models without requiring explicit protein structures as input. We evaluate the impact of this structure-informed training on downstream protein function prediction tasks. Experimental results reveal consistent improvements in function annotation accuracy for EC number and GO term prediction. Performance on mutant datasets, however, varies based on the relationship between targeted properties and protein structures. This underscores the importance of considering this relationship when applying structure-aware training to protein function prediction tasks. Code and model weights are available at https://github.com/DeepGraphLearning/esm-s.

Benchmark datasets for table structure recognition (TSR) must be carefully processed to ensure they are annotated consistently. However, even if a dataset's annotations are self-consistent, there may be significant inconsistency across datasets, which can harm the performance of models trained and evaluated on them. In this work, we show that aligning these benchmarksx2014removing both errors and inconsistency between themx2014improves model performance significantly. We demonstrate this through a data-centric approach where we adopt a single model architecture, the Table Transformer (TATR), that we hold fixed throughout. Baseline exact match accuracy for TATR evaluated on the ICDAR-2013 benchmark is 65% when trained on PubTables-1M, 42% when trained on FinTabNet, and 69% combined. After reducing annotation mistakes and inter-dataset inconsistency, performance of TATR evaluated on ICDAR-2013 increases substantially to 75% when trained on PubTables-1M, 65% when trained on FinTabNet, and 81% combined. We show through ablations over the modification steps that canonicalization of the table annotations has a significantly positive effect on performance, while other choices balance necessary trade-offs that arise when deciding a benchmark dataset's final composition. Overall we believe our work has significant implications for benchmark design for TSR and potentially other tasks as well. All dataset processing and training code will be released.

We present STARC (Structured Annotations for Reading Comprehension), a new annotation framework for assessing reading comprehension with multiple choice questions. Our framework introduces a principled structure for the answer choices and ties them to textual span annotations. The framework is implemented in OneStopQA, a new high-quality dataset for evaluation and analysis of reading comprehension in English. We use this dataset to demonstrate that STARC can be leveraged for a key new application for the development of SAT-like reading comprehension materials: automatic annotation quality probing via span ablation experiments. We further show that it enables in-depth analyses and comparisons between machine and human reading comprehension behavior, including error distributions and guessing ability. Our experiments also reveal that the standard multiple choice dataset in NLP, RACE, is limited in its ability to measure reading comprehension. 47% of its questions can be guessed by machines without accessing the passage, and 18% are unanimously judged by humans as not having a unique correct answer. OneStopQA provides an alternative test set for reading comprehension which alleviates these shortcomings and has a substantially higher human ceiling performance.

Toxicity remains a leading cause of early-stage drug development failure. Despite advances in molecular design and property prediction, the task of molecular toxicity repair - generating structurally valid molecular alternatives with reduced toxicity - has not yet been systematically defined or benchmarked. To fill this gap, we introduce ToxiMol, the first benchmark task for general-purpose Multimodal Large Language Models (MLLMs) focused on molecular toxicity repair. We construct a standardized dataset covering 11 primary tasks and 560 representative toxic molecules spanning diverse mechanisms and granularities. We design a prompt annotation pipeline with mechanism-aware and task-adaptive capabilities, informed by expert toxicological knowledge. In parallel, we propose an automated evaluation framework, ToxiEval, which integrates toxicity endpoint prediction, synthetic accessibility, drug-likeness, and structural similarity into a high-throughput evaluation chain for repair success. We systematically assess nearly 30 mainstream general-purpose MLLMs and design multiple ablation studies to analyze key factors such as evaluation criteria, candidate diversity, and failure attribution. Experimental results show that although current MLLMs still face significant challenges on this task, they begin to demonstrate promising capabilities in toxicity understanding, semantic constraint adherence, and structure-aware molecule editing.

We propose an approach for annotating object classes using free-form text written by undirected and untrained annotators. Free-form labeling is natural for annotators, they intuitively provide very specific and exhaustive labels, and no training stage is necessary. We first collect 729 labels on 15k images using 124 different annotators. Then we automatically enrich the structure of these free-form annotations by discovering a natural vocabulary of 4020 classes within them. This vocabulary represents the natural distribution of objects well and is learned directly from data, instead of being an educated guess done before collecting any labels. Hence, the natural vocabulary emerges from a large mass of free-form annotations. To do so, we (i) map the raw input strings to entities in an ontology of physical objects (which gives them an unambiguous meaning); and (ii) leverage inter-annotator co-occurrences, as well as biases and knowledge specific to individual annotators. Finally, we also automatically extract natural vocabularies of reduced size that have high object coverage while remaining specific. These reduced vocabularies represent the natural distribution of objects much better than commonly used predefined vocabularies. Moreover, they feature more uniform sample distribution over classes.

In the development of science, accurate and reproducible documentation of the experimental process is crucial. Automatic recognition of the actions in experiments from videos would help experimenters by complementing the recording of experiments. Towards this goal, we propose FineBio, a new fine-grained video dataset of people performing biological experiments. The dataset consists of multi-view videos of 32 participants performing mock biological experiments with a total duration of 14.5 hours. One experiment forms a hierarchical structure, where a protocol consists of several steps, each further decomposed into a set of atomic operations. The uniqueness of biological experiments is that while they require strict adherence to steps described in each protocol, there is freedom in the order of atomic operations. We provide hierarchical annotation on protocols, steps, atomic operations, object locations, and their manipulation states, providing new challenges for structured activity understanding and hand-object interaction recognition. To find out challenges on activity understanding in biological experiments, we introduce baseline models and results on four different tasks, including (i) step segmentation, (ii) atomic operation detection (iii) object detection, and (iv) manipulated/affected object detection. Dataset and code are available from https://github.com/aistairc/FineBio.

Legal case retrieval, which aims to find relevant cases for a query case, plays a core role in the intelligent legal system. Despite the success that pre-training has achieved in ad-hoc retrieval tasks, effective pre-training strategies for legal case retrieval remain to be explored. Compared with general documents, legal case documents are typically long text sequences with intrinsic logical structures. However, most existing language models have difficulty understanding the long-distance dependencies between different structures. Moreover, in contrast to the general retrieval, the relevance in the legal domain is sensitive to key legal elements. Even subtle differences in key legal elements can significantly affect the judgement of relevance. However, existing pre-trained language models designed for general purposes have not been equipped to handle legal elements. To address these issues, in this paper, we propose SAILER, a new Structure-Aware pre-traIned language model for LEgal case Retrieval. It is highlighted in the following three aspects: (1) SAILER fully utilizes the structural information contained in legal case documents and pays more attention to key legal elements, similar to how legal experts browse legal case documents. (2) SAILER employs an asymmetric encoder-decoder architecture to integrate several different pre-training objectives. In this way, rich semantic information across tasks is encoded into dense vectors. (3) SAILER has powerful discriminative ability, even without any legal annotation data. It can distinguish legal cases with different charges accurately. Extensive experiments over publicly available legal benchmarks demonstrate that our approach can significantly outperform previous state-of-the-art methods in legal case retrieval.

Salient object detection (SOD) has been in the spotlight recently, yet has been studied less for high-resolution (HR) images. Unfortunately, HR images and their pixel-level annotations are certainly more labor-intensive and time-consuming compared to low-resolution (LR) images and annotations. Therefore, we propose an image pyramid-based SOD framework, Inverse Saliency Pyramid Reconstruction Network (InSPyReNet), for HR prediction without any of HR datasets. We design InSPyReNet to produce a strict image pyramid structure of saliency map, which enables to ensemble multiple results with pyramid-based image blending. For HR prediction, we design a pyramid blending method which synthesizes two different image pyramids from a pair of LR and HR scale from the same image to overcome effective receptive field (ERF) discrepancy. Our extensive evaluations on public LR and HR SOD benchmarks demonstrate that InSPyReNet surpasses the State-of-the-Art (SotA) methods on various SOD metrics and boundary accuracy.

Diffusion models have emerged as a powerful generative method, capable of producing stunning photo-realistic images from natural language descriptions. However, these models lack explicit control over the 3D structure in the generated images. Consequently, this hinders our ability to obtain detailed 3D annotations for the generated images or to craft instances with specific poses and distances. In this paper, we propose 3D Diffusion Style Transfer (3D-DST), which incorporates 3D geometry control into diffusion models. Our method exploits ControlNet, which extends diffusion models by using visual prompts in addition to text prompts. We generate images of the 3D objects taken from 3D shape repositories (e.g., ShapeNet and Objaverse), render them from a variety of poses and viewing directions, compute the edge maps of the rendered images, and use these edge maps as visual prompts to generate realistic images. With explicit 3D geometry control, we can easily change the 3D structures of the objects in the generated images and obtain ground-truth 3D annotations automatically. This allows us to improve a wide range of vision tasks, e.g., classification and 3D pose estimation, in both in-distribution (ID) and out-of-distribution (OOD) settings. We demonstrate the effectiveness of our method through extensive experiments on ImageNet-100/200, ImageNet-R, PASCAL3D+, ObjectNet3D, and OOD-CV. The results show that our method significantly outperforms existing methods, e.g., 3.8 percentage points on ImageNet-100 using DeiT-B.

When reading a document, glancing at the spatial layout of a document is an initial step to understand it roughly. Traditional document layout analysis (DLA) methods, however, offer only a superficial parsing of documents, focusing on basic instance detection and often failing to capture the nuanced spatial and logical relations between instances. These limitations hinder DLA-based models from achieving a gradually deeper comprehension akin to human reading. In this work, we propose a novel graph-based Document Structure Analysis (gDSA) task. This task requires that model not only detects document elements but also generates spatial and logical relations in form of a graph structure, allowing to understand documents in a holistic and intuitive manner. For this new task, we construct a relation graph-based document structure analysis dataset (GraphDoc) with 80K document images and 4.13M relation annotations, enabling training models to complete multiple tasks like reading order, hierarchical structures analysis, and complex inter-element relation inference. Furthermore, a document relation graph generator (DRGG) is proposed to address the gDSA task, which achieves performance with 57.6% at [email protected] for a strong benchmark baseline on this novel task and dataset. We hope this graphical representation of document structure can mark an innovative advancement in document structure analysis and understanding. The new dataset and code will be made publicly available at https://yufanchen96.github.io/projects/GraphDoc.

Recently, the community has made tremendous progress in developing effective methods for point cloud video understanding that learn from massive amounts of labeled data. However, annotating point cloud videos is usually notoriously expensive. Moreover, training via one or only a few traditional tasks (e.g., classification) may be insufficient to learn subtle details of the spatio-temporal structure existing in point cloud videos. In this paper, we propose a Masked Spatio-Temporal Structure Prediction (MaST-Pre) method to capture the structure of point cloud videos without human annotations. MaST-Pre is based on spatio-temporal point-tube masking and consists of two self-supervised learning tasks. First, by reconstructing masked point tubes, our method is able to capture the appearance information of point cloud videos. Second, to learn motion, we propose a temporal cardinality difference prediction task that estimates the change in the number of points within a point tube. In this way, MaST-Pre is forced to model the spatial and temporal structure in point cloud videos. Extensive experiments on MSRAction-3D, NTU-RGBD, NvGesture, and SHREC'17 demonstrate the effectiveness of the proposed method.

Instance level detection and segmentation of thoracic diseases or abnormalities are crucial for automatic diagnosis in chest X-ray images. Leveraging on constant structure and disease relations extracted from domain knowledge, we propose a structure-aware relation network (SAR-Net) extending Mask R-CNN. The SAR-Net consists of three relation modules: 1. the anatomical structure relation module encoding spatial relations between diseases and anatomical parts. 2. the contextual relation module aggregating clues based on query-key pair of disease RoI and lung fields. 3. the disease relation module propagating co-occurrence and causal relations into disease proposals. Towards making a practical system, we also provide ChestX-Det, a chest X-Ray dataset with instance-level annotations (boxes and masks). ChestX-Det is a subset of the public dataset NIH ChestX-ray14. It contains ~3500 images of 13 common disease categories labeled by three board-certified radiologists. We evaluate our SAR-Net on it and another dataset DR-Private. Experimental results show that it can enhance the strong baseline of Mask R-CNN with significant improvements. The ChestX-Det is released at https://github.com/Deepwise-AILab/ChestX-Det-Dataset.

For text summarization, the role of discourse structure is pivotal in discerning the core content of a text. Regrettably, prior studies on incorporating Rhetorical Structure Theory (RST) into transformer-based summarization models only consider the nuclearity annotation, thereby overlooking the variety of discourse relation types. This paper introduces the 'RSTformer', a novel summarization model that comprehensively incorporates both the types and uncertainty of rhetorical relations. Our RST-attention mechanism, rooted in document-level rhetorical structure, is an extension of the recently devised Longformer framework. Through rigorous evaluation, the model proposed herein exhibits significant superiority over state-of-the-art models, as evidenced by its notable performance on several automatic metrics and human evaluation.

This paper introduces a network for volumetric segmentation that learns from sparsely annotated volumetric images. We outline two attractive use cases of this method: (1) In a semi-automated setup, the user annotates some slices in the volume to be segmented. The network learns from these sparse annotations and provides a dense 3D segmentation. (2) In a fully-automated setup, we assume that a representative, sparsely annotated training set exists. Trained on this data set, the network densely segments new volumetric images. The proposed network extends the previous u-net architecture from Ronneberger et al. by replacing all 2D operations with their 3D counterparts. The implementation performs on-the-fly elastic deformations for efficient data augmentation during training. It is trained end-to-end from scratch, i.e., no pre-trained network is required. We test the performance of the proposed method on a complex, highly variable 3D structure, the Xenopus kidney, and achieve good results for both use cases.

Recent advances in neural reconstruction enable high-quality 3D object reconstruction from casually captured image collections. Current techniques mostly analyze their progress on relatively simple image collections where Structure-from-Motion (SfM) techniques can provide ground-truth (GT) camera poses. We note that SfM techniques tend to fail on in-the-wild image collections such as image search results with varying backgrounds and illuminations. To enable systematic research progress on 3D reconstruction from casual image captures, we propose NAVI: a new dataset of category-agnostic image collections of objects with high-quality 3D scans along with per-image 2D-3D alignments providing near-perfect GT camera parameters. These 2D-3D alignments allow us to extract accurate derivative annotations such as dense pixel correspondences, depth and segmentation maps. We demonstrate the use of NAVI image collections on different problem settings and show that NAVI enables more thorough evaluations that were not possible with existing datasets. We believe NAVI is beneficial for systematic research progress on 3D reconstruction and correspondence estimation. Project page: https://navidataset.github.io

Self-supervised learning on large-scale multi-modal datasets allows learning semantically meaningful embeddings in a joint multi-modal representation space without relying on human annotations. These joint embeddings enable zero-shot cross-modal tasks like retrieval and classification. However, these methods often struggle to generalize well on out-of-domain data as they ignore the semantic structure present in modality-specific embeddings. In this context, we propose a novel Semantic-Structure-Preserving Consistency approach to improve generalizability by preserving the modality-specific relationships in the joint embedding space. To capture modality-specific semantic relationships between samples, we propose to learn multiple anchors and represent the multifaceted relationship between samples with respect to their relationship with these anchors. To assign multiple anchors to each sample, we propose a novel Multi-Assignment Sinkhorn-Knopp algorithm. Our experimentation demonstrates that our proposed approach learns semantically meaningful anchors in a self-supervised manner. Furthermore, our evaluation on MSR-VTT and YouCook2 datasets demonstrates that our proposed multi-anchor assignment based solution achieves state-of-the-art performance and generalizes to both inand out-of-domain datasets. Code: https://github.com/Swetha5/Multi_Sinkhorn_Knopp

Open-vocabulary (OV) 3D object detection is an emerging field, yet its exploration through image-based methods remains limited compared to 3D point cloud-based methods. We introduce OpenM3D, a novel open-vocabulary multi-view indoor 3D object detector trained without human annotations. In particular, OpenM3D is a single-stage detector adapting the 2D-induced voxel features from the ImGeoNet model. To support OV, it is jointly trained with a class-agnostic 3D localization loss requiring high-quality 3D pseudo boxes and a voxel-semantic alignment loss requiring diverse pre-trained CLIP features. We follow the training setting of OV-3DET where posed RGB-D images are given but no human annotations of 3D boxes or classes are available. We propose a 3D Pseudo Box Generation method using a graph embedding technique that combines 2D segments into coherent 3D structures. Our pseudo-boxes achieve higher precision and recall than other methods, including the method proposed in OV-3DET. We further sample diverse CLIP features from 2D segments associated with each coherent 3D structure to align with the corresponding voxel feature. The key to training a highly accurate single-stage detector requires both losses to be learned toward high-quality targets. At inference, OpenM3D, a highly efficient detector, requires only multi-view images for input and demonstrates superior accuracy and speed (0.3 sec. per scene) on ScanNet200 and ARKitScenes indoor benchmarks compared to existing methods. We outperform a strong two-stage method that leverages our class-agnostic detector with a ViT CLIP-based OV classifier and a baseline incorporating multi-view depth estimator on both accuracy and speed.

Understanding biological processes, drug development, and biotechnological advancements requires detailed analysis of protein structures and sequences, a task in protein research that is inherently complex and time-consuming when performed manually. To streamline this process, we introduce ProteinGPT, a state-of-the-art multi-modal protein chat system, that allows users to upload protein sequences and/or structures for comprehensive protein analysis and responsive inquiries. ProteinGPT seamlessly integrates protein sequence and structure encoders with linear projection layers for precise representation adaptation, coupled with a large language model (LLM) to generate accurate and contextually relevant responses. To train ProteinGPT, we construct a large-scale dataset of 132,092 proteins with annotations, and optimize the instruction-tuning process using GPT-4o. This innovative system ensures accurate alignment between the user-uploaded data and prompts, simplifying protein analysis. Experiments show that ProteinGPT can produce promising responses to proteins and their corresponding questions.

Precise recognition, editing, and generation of molecules are essential prerequisites for both chemists and AI systems tackling various chemical tasks. We present MolLangBench, a comprehensive benchmark designed to evaluate fundamental molecule-language interface tasks: language-prompted molecular structure recognition, editing, and generation. To ensure high-quality, unambiguous, and deterministic outputs, we construct the recognition tasks using automated cheminformatics tools, and curate editing and generation tasks through rigorous expert annotation and validation. MolLangBench supports the evaluation of models that interface language with different molecular representations, including linear strings, molecular images, and molecular graphs. Evaluations of state-of-the-art models reveal significant limitations: the strongest model (o3) achieves 79.2% and 78.5% accuracy on recognition and editing tasks, which are intuitively simple for humans, and performs even worse on the generation task, reaching only 29.0% accuracy. These results highlight the shortcomings of current AI systems in handling even preliminary molecular recognition and manipulation tasks. We hope MolLangBench will catalyze further research toward more effective and reliable AI systems for chemical applications.

Optical Chemical Structure Recognition (OCSR) is crucial for digitizing chemical knowledge by converting molecular images into machine-readable formats. While recent vision-language models (VLMs) have shown potential in this task, their image-captioning approach often struggles with complex molecular structures and inconsistent annotations. To overcome these challenges, we introduce GTR-Mol-VLM, a novel framework featuring two key innovations: (1) the Graph Traversal as Visual Chain of Thought mechanism that emulates human reasoning by incrementally parsing molecular graphs through sequential atom-bond predictions, and (2) the data-centric principle of Faithfully Recognize What You've Seen, which addresses the mismatch between abbreviated structures in images and their expanded annotations. To support model development, we constructed GTR-CoT-1.3M, a large-scale instruction-tuning dataset with meticulously corrected annotations, and introduced MolRec-Bench, the first benchmark designed for a fine-grained evaluation of graph-parsing accuracy in OCSR. Comprehensive experiments demonstrate that GTR-Mol-VLM achieves superior results compared to specialist models, chemistry-domain VLMs, and commercial general-purpose VLMs. Notably, in scenarios involving molecular images with functional group abbreviations, GTR-Mol-VLM outperforms the second-best baseline by approximately 14 percentage points, both in SMILES-based and graph-based metrics. We hope that this work will drive OCSR technology to more effectively meet real-world needs, thereby advancing the fields of cheminformatics and AI for Science. We will release GTR-CoT at https://github.com/opendatalab/GTR-CoT.

Recent advances in text-to-image (T2I) generation have shown remarkable success in producing high-quality images from text. However, existing T2I models show decayed performance in compositional image generation involving multiple objects and intricate relationships. We attribute this problem to limitations in existing datasets of image-text pairs, which lack precise inter-object relationship annotations with prompts only. To address this problem, we construct LAION-SG, a large-scale dataset with high-quality structural annotations of scene graphs (SG), which precisely describe attributes and relationships of multiple objects, effectively representing the semantic structure in complex scenes. Based on LAION-SG, we train a new foundation model SDXL-SG to incorporate structural annotation information into the generation process. Extensive experiments show advanced models trained on our LAION-SG boast significant performance improvements in complex scene generation over models on existing datasets. We also introduce CompSG-Bench, a benchmark that evaluates models on compositional image generation, establishing a new standard for this domain.

We present the WASABI Song Corpus, a large corpus of songs enriched with metadata extracted from music databases on the Web, and resulting from the processing of song lyrics and from audio analysis. More specifically, given that lyrics encode an important part of the semantics of a song, we focus here on the description of the methods we proposed to extract relevant information from the lyrics, such as their structure segmentation, their topics, the explicitness of the lyrics content, the salient passages of a song and the emotions conveyed. The creation of the resource is still ongoing: so far, the corpus contains 1.73M songs with lyrics (1.41M unique lyrics) annotated at different levels with the output of the above mentioned methods. Such corpus labels and the provided methods can be exploited by music search engines and music professionals (e.g. journalists, radio presenters) to better handle large collections of lyrics, allowing an intelligent browsing, categorization and segmentation recommendation of songs.

The task of annotating data into concise summaries poses a significant challenge across various domains, frequently requiring the allocation of significant time and specialized knowledge by human experts. Despite existing efforts to use large language models for annotation tasks, significant problems such as limited applicability to unlabeled data, the absence of self-supervised methods, and the lack of focus on complex structured data still persist. In this work, we propose a GPT self-supervision annotation method, which embodies a generating-recovering paradigm that leverages the one-shot learning capabilities of the Generative Pretrained Transformer (GPT). The proposed approach comprises a one-shot tuning phase followed by a generation phase. In the one-shot tuning phase, we sample a data from the support set as part of the prompt for GPT to generate a textual summary, which is then used to recover the original data. The alignment score between the recovered and original data serves as a self-supervision navigator to refine the process. In the generation stage, the optimally selected one-shot sample serves as a template in the prompt and is applied to generating summaries from challenging datasets. The annotation performance is evaluated by tuning several human feedback reward networks and by calculating alignment scores between original and recovered data at both sentence and structure levels. Our self-supervised annotation method consistently achieves competitive scores, convincingly demonstrating its robust strength in various data-to-summary annotation tasks.

Long-form article generation (LFAG) presents challenges such as maintaining logical consistency, comprehensive topic coverage, and narrative coherence across extended articles. Existing datasets often lack both the hierarchical structure and fine-grained annotation needed to effectively decompose tasks, resulting in shallow, disorganized article generation. To address these limitations, we introduce DeFine, a Decomposed and Fine-grained annotated dataset for long-form article generation. DeFine is characterized by its hierarchical decomposition strategy and the integration of domain-specific knowledge with multi-level annotations, ensuring granular control and enhanced depth in article generation. To construct the dataset, a multi-agent collaborative pipeline is proposed, which systematically segments the generation process into four parts: Data Miner, Cite Retreiver, Q&A Annotator and Data Cleaner. To validate the effectiveness of DeFine, we designed and tested three LFAG baselines: the web retrieval, the local retrieval, and the grounded reference. We fine-tuned the Qwen2-7b-Instruct model using the DeFine training dataset. The experimental results showed significant improvements in text quality, specifically in topic coverage, depth of information, and content fidelity. Our dataset publicly available to facilitate future research.

We present OpenNER 1.0, a standardized collection of openly-available named entity recognition (NER) datasets. OpenNER contains 36 NER corpora that span 52 languages, human-annotated in varying named entity ontologies. We correct annotation format issues, standardize the original datasets into a uniform representation with consistent entity type names across corpora, and provide the collection in a structure that enables research in multilingual and multi-ontology NER. We provide baseline results using three pretrained multilingual language models and two large language models to compare the performance of recent models and facilitate future research in NER. We find that no single model is best in all languages and that significant work remains to obtain high performance from LLMs on the NER task. OpenNER is released at https://github.com/bltlab/open-ner.

Current Vision Language Models (VLMs) demonstrate a critical gap between surface-level recognition and deep narrative reasoning when processing sequential visual storytelling. Through a comprehensive investigation of manga narrative understanding, we reveal that while recent large multimodal models excel at individual panel interpretation, they systematically fail at temporal causality and cross-panel cohesion, core requirements for coherent story comprehension. We introduce a novel evaluation framework that combines fine-grained multimodal annotation, cross-modal embedding analysis, and retrieval-augmented assessment to systematically characterize these limitations. Our methodology includes (i) a rigorous annotation protocol linking visual elements to narrative structure through aligned light novel text, (ii) comprehensive evaluation across multiple reasoning paradigms, including direct inference and retrieval-augmented generation, and (iii) cross-modal similarity analysis revealing fundamental misalignments in current VLMs' joint representations. Applying this framework to Re:Zero manga across 11 chapters with 308 annotated panels, we conduct the first systematic study of long-form narrative understanding in VLMs through three core evaluation axes: generative storytelling, contextual dialogue grounding, and temporal reasoning. Our findings demonstrate that current models lack genuine story-level intelligence, struggling particularly with non-linear narratives, character consistency, and causal inference across extended sequences. This work establishes both the foundation and practical methodology for evaluating narrative intelligence, while providing actionable insights into the capability of deep sequential understanding of Discrete Visual Narratives beyond basic recognition in Multimodal Models. Project Page: https://re-verse.vercel.app

With the rapid development of artificial intelligence (AI) in medical image processing, deep learning in color fundus photography (CFP) analysis is also evolving. Although there are some open-source, labeled datasets of CFPs in the ophthalmology community, large-scale datasets for screening only have labels of disease categories, and datasets with annotations of fundus structures are usually small in size. In addition, labeling standards are not uniform across datasets, and there is no clear information on the acquisition device. Here we release a multi-annotation, multi-quality, and multi-device color fundus image dataset for glaucoma analysis on an original challenge -- Retinal Fundus Glaucoma Challenge 2nd Edition (REFUGE2). The REFUGE2 dataset contains 2000 color fundus images with annotations of glaucoma classification, optic disc/cup segmentation, as well as fovea localization. Meanwhile, the REFUGE2 challenge sets three sub-tasks of automatic glaucoma diagnosis and fundus structure analysis and provides an online evaluation framework. Based on the characteristics of multi-device and multi-quality data, some methods with strong generalizations are provided in the challenge to make the predictions more robust. This shows that REFUGE2 brings attention to the characteristics of real-world multi-domain data, bridging the gap between scientific research and clinical application.

Multimodal reasoning, which integrates language and visual cues into problem solving and decision making, is a fundamental aspect of human intelligence and a crucial step toward artificial general intelligence. However, the evaluation of multimodal reasoning capabilities in Multimodal Large Language Models (MLLMs) remains inadequate. Most existing reasoning benchmarks are constrained by limited data size, narrow domain coverage, and unstructured knowledge distribution. To close these gaps, we introduce MDK12-Bench, a multi-disciplinary benchmark assessing the reasoning capabilities of MLLMs via real-world K-12 examinations. Spanning six disciplines (math, physics, chemistry, biology, geography, and information science), our benchmark comprises 140K reasoning instances across diverse difficulty levels from primary school to 12th grade. It features 6,827 instance-level knowledge point annotations based on a well-organized knowledge structure, detailed answer explanations, difficulty labels and cross-year partitions, providing a robust platform for comprehensive evaluation. Additionally, we present a novel dynamic evaluation framework to mitigate data contamination issues by bootstrapping question forms, question types, and image styles during evaluation. Extensive experiment on MDK12-Bench reveals the significant limitation of current MLLMs in multimodal reasoning. The findings on our benchmark provide insights into the development of the next-generation models. Our data and codes are available at https://github.com/LanceZPF/MDK12.

Relevant information in documents is often summarized in tables, helping the reader to identify useful facts. Most benchmark datasets support either document layout analysis or table understanding, but lack in providing data to apply both tasks in a unified way. We define the task of Contextualized Table Extraction (CTE), which aims to extract and define the structure of tables considering the textual context of the document. The dataset comprises 75k fully annotated pages of scientific papers, including more than 35k tables. Data are gathered from PubMed Central, merging the information provided by annotations in the PubTables-1M and PubLayNet datasets. The dataset can support CTE and adds new classes to the original ones. The generated annotations can be used to develop end-to-end pipelines for various tasks, including document layout analysis, table detection, structure recognition, and functional analysis. We formally define CTE and evaluation metrics, showing which subtasks can be tackled, describing advantages, limitations, and future works of this collection of data. Annotations and code will be accessible a https://github.com/AILab-UniFI/cte-dataset.

Recent works have shown that generative data augmentation, where synthetic samples generated from deep generative models complement the training dataset, benefit NLP tasks. In this work, we extend this approach to the task of dialog state tracking for goal-oriented dialogs. Due to the inherent hierarchical structure of goal-oriented dialogs over utterances and related annotations, the deep generative model must be capable of capturing the coherence among different hierarchies and types of dialog features. We propose the Variational Hierarchical Dialog Autoencoder (VHDA) for modeling the complete aspects of goal-oriented dialogs, including linguistic features and underlying structured annotations, namely speaker information, dialog acts, and goals. The proposed architecture is designed to model each aspect of goal-oriented dialogs using inter-connected latent variables and learns to generate coherent goal-oriented dialogs from the latent spaces. To overcome training issues that arise from training complex variational models, we propose appropriate training strategies. Experiments on various dialog datasets show that our model improves the downstream dialog trackers' robustness via generative data augmentation. We also discover additional benefits of our unified approach to modeling goal-oriented dialogs: dialog response generation and user simulation, where our model outperforms previous strong baselines.

This paper investigates the fundamental discontinuity between the latest two Segment Anything Models: SAM2 and SAM3. We explain why the expertise in prompt-based segmentation of SAM2 does not transfer to the multimodal concept-driven paradigm of SAM3. SAM2 operates through spatial prompts points, boxes, and masks yielding purely geometric and temporal segmentation. In contrast, SAM3 introduces a unified vision-language architecture capable of open-vocabulary reasoning, semantic grounding, contrastive alignment, and exemplar-based concept understanding. We structure this analysis through five core components: (1) a Conceptual Break Between Prompt-Based and Concept-Based Segmentation, contrasting spatial prompt semantics of SAM2 with multimodal fusion and text-conditioned mask generation of SAM3; (2) Architectural Divergence, detailing pure vision-temporal design of SAM2 versus integration of vision-language encoders, geometry and exemplar encoders, fusion modules, DETR-style decoders, object queries, and ambiguity-handling via Mixture-of-Experts in SAM3; (3) Dataset and Annotation Differences, contrasting SA-V video masks with multimodal concept-annotated corpora of SAM3; (4) Training and Hyperparameter Distinctions, showing why SAM2 optimization knowledge does not apply to SAM3; and (5) Evaluation, Metrics, and Failure Modes, outlining the transition from geometric IoU metrics to semantic, open-vocabulary evaluation. Together, these analyses establish SAM3 as a new class of segmentation foundation model and chart future directions for the emerging concept-driven segmentation era.

Graphical User Interface (GUI) datasets are crucial for various downstream tasks. However, GUI datasets often generate annotation information through automatic labeling, which commonly results in inaccurate GUI element BBox annotations, including missing, duplicate, or meaningless BBoxes. These issues can degrade the performance of models trained on these datasets, limiting their effectiveness in real-world applications. Additionally, existing GUI datasets only provide BBox annotations visually, which restricts the development of visually related GUI downstream tasks. To address these issues, we introduce PixelWeb, a large-scale GUI dataset containing over 100,000 annotated web pages. PixelWeb is constructed using a novel automatic annotation approach that integrates visual feature extraction and Document Object Model (DOM) structure analysis through two core modules: channel derivation and layer analysis. Channel derivation ensures accurate localization of GUI elements in cases of occlusion and overlapping elements by extracting BGRA four-channel bitmap annotations. Layer analysis uses the DOM to determine the visibility and stacking order of elements, providing precise BBox annotations. Additionally, PixelWeb includes comprehensive metadata such as element images, contours, and mask annotations. Manual verification by three independent annotators confirms the high quality and accuracy of PixelWeb annotations. Experimental results on GUI element detection tasks show that PixelWeb achieves performance on the mAP95 metric that is 3-7 times better than existing datasets. We believe that PixelWeb has great potential for performance improvement in downstream tasks such as GUI generation and automated user interaction.

To overcome the limitations and challenges of current automatic table data annotation methods and random table data synthesis approaches, we propose a novel method for synthesizing annotation data specifically designed for table recognition. This method utilizes the structure and content of existing complex tables, facilitating the efficient creation of tables that closely replicate the authentic styles found in the target domain. By leveraging the actual structure and content of tables from Chinese financial announcements, we have developed the first extensive table annotation dataset in this domain. We used this dataset to train several recent deep learning-based end-to-end table recognition models. Additionally, we have established the inaugural benchmark for real-world complex tables in the Chinese financial announcement domain, using it to assess the performance of models trained on our synthetic data, thereby effectively validating our method's practicality and effectiveness. Furthermore, we applied our synthesis method to augment the FinTabNet dataset, extracted from English financial announcements, by increasing the proportion of tables with multiple spanning cells to introduce greater complexity. Our experiments show that models trained on this augmented dataset achieve comprehensive improvements in performance, especially in the recognition of tables with multiple spanning cells.

The long-standing theory that a colour-naming system evolves under dual pressure of efficient communication and perceptual mechanism is supported by more and more linguistic studies, including analysing four decades of diachronic data from the Nafaanra language. This inspires us to explore whether machine learning could evolve and discover a similar colour-naming system via optimising the communication efficiency represented by high-level recognition performance. Here, we propose a novel colour quantisation transformer, CQFormer, that quantises colour space while maintaining the accuracy of machine recognition on the quantised images. Given an RGB image, Annotation Branch maps it into an index map before generating the quantised image with a colour palette; meanwhile the Palette Branch utilises a key-point detection way to find proper colours in the palette among the whole colour space. By interacting with colour annotation, CQFormer is able to balance both the machine vision accuracy and colour perceptual structure such as distinct and stable colour distribution for discovered colour system. Very interestingly, we even observe the consistent evolution pattern between our artificial colour system and basic colour terms across human languages. Besides, our colour quantisation method also offers an efficient quantisation method that effectively compresses the image storage while maintaining high performance in high-level recognition tasks such as classification and detection. Extensive experiments demonstrate the superior performance of our method with extremely low bit-rate colours, showing potential to integrate into quantisation network to quantities from image to network activation. The source code is available at https://github.com/ryeocthiv/CQFormer

Proteins are essential biological macromolecules that execute life functions. Local motifs within protein structures, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution and enabling protein engineering. Existing computational methods struggle to identify and compare these local structures, which leaves a significant gap in understanding protein structures and harnessing their functions. This study presents PLASMA, the first deep learning framework for efficient and interpretable residue-level protein substructure alignment. We reformulate the problem as a regularized optimal transport task and leverage differentiable Sinkhorn iterations. For a pair of input protein structures, PLASMA outputs a clear alignment matrix with an interpretable overall similarity score. Through extensive quantitative evaluations and three biological case studies, we demonstrate that PLASMA achieves accurate, lightweight, and interpretable residue-level alignment. Additionally, we introduce PLASMA-PF, a training-free variant that provides a practical alternative when training data are unavailable. Our method addresses a critical gap in protein structure analysis tools and offers new opportunities for functional annotation, evolutionary studies, and structure-based drug design. Reproducibility is ensured via our official implementation at https://github.com/ZW471/PLASMA-Protein-Local-Alignment.git.

SoccerTrack v2 is a new public dataset for advancing multi-object tracking (MOT), game state reconstruction (GSR), and ball action spotting (BAS) in soccer analytics. Unlike prior datasets that use broadcast views or limited scenarios, SoccerTrack v2 provides 10 full-length, panoramic 4K recordings of university-level matches, captured with BePro cameras for complete player visibility. Each video is annotated with GSR labels (2D pitch coordinates, jersey-based player IDs, roles, teams) and BAS labels for 12 action classes (e.g., Pass, Drive, Shot). This technical report outlines the datasets structure, collection pipeline, and annotation process. SoccerTrack v2 is designed to advance research in computer vision and soccer analytics, enabling new benchmarks and practical applications in tactical analysis and automated tools.

Named entity recognition (NER) is a crucial task that aims to identify structured information, which is often replete with complex, technical terms and a high degree of variability. Accurate and reliable NER can facilitate the extraction and analysis of important information. However, NER for other than English is challenging due to limited data availability, as the high expertise, time, and expenses are required to annotate its data. In this paper, by using the limited data, we explore various factors including model structure, corpus annotation scheme and data augmentation techniques to improve the performance of a NER model for French. Our experiments demonstrate that these approaches can significantly improve the model's F1 score from original CRF score of 62.41 to 79.39. Our findings suggest that considering different extrinsic factors and combining these techniques is a promising approach for improving NER performance where the size of data is limited.

Optical coherence tomography (OCT) imaging from different camera devices causes challenging domain shifts and can cause a severe drop in accuracy for machine learning models. In this work, we introduce a minimal noise adaptation method based on a singular value decomposition (SVDNA) to overcome the domain gap between target domains from three different device manufacturers in retinal OCT imaging. Our method utilizes the difference in noise structure to successfully bridge the domain gap between different OCT devices and transfer the style from unlabeled target domain images to source images for which manual annotations are available. We demonstrate how this method, despite its simplicity, compares or even outperforms state-of-the-art unsupervised domain adaptation methods for semantic segmentation on a public OCT dataset. SVDNA can be integrated with just a few lines of code into the augmentation pipeline of any network which is in contrast to many state-of-the-art domain adaptation methods which often need to change the underlying model architecture or train a separate style transfer model. The full code implementation for SVDNA is available at https://github.com/ValentinKoch/SVDNA.

Pre-training methods with contrastive learning objectives have shown remarkable success in dialog understanding tasks. However, current contrastive learning solely considers the self-augmented dialog samples as positive samples and treats all other dialog samples as negative ones, which enforces dissimilar representations even for dialogs that are semantically related. In this paper, we propose SPACE-2, a tree-structured pre-trained conversation model, which learns dialog representations from limited labeled dialogs and large-scale unlabeled dialog corpora via semi-supervised contrastive pre-training. Concretely, we first define a general semantic tree structure (STS) to unify the inconsistent annotation schema across different dialog datasets, so that the rich structural information stored in all labeled data can be exploited. Then we propose a novel multi-view score function to increase the relevance of all possible dialogs that share similar STSs and only push away other completely different dialogs during supervised contrastive pre-training. To fully exploit unlabeled dialogs, a basic self-supervised contrastive loss is also added to refine the learned representations. Experiments show that our method can achieve new state-of-the-art results on the DialoGLUE benchmark consisting of seven datasets and four popular dialog understanding tasks. For reproducibility, we release the code and data at https://github.com/AlibabaResearch/DAMO-ConvAI/tree/main/space-2.

In this paper, we introduce MeshMamba, a neural network model for learning 3D articulated mesh models by employing the recently proposed Mamba State Space Models (Mamba-SSMs). MeshMamba is efficient and scalable in handling a large number of input tokens, enabling the generation and reconstruction of body mesh models with more than 10,000 vertices, capturing clothing and hand geometries. The key to effectively learning MeshMamba is the serialization technique of mesh vertices into orderings that are easily processed by Mamba. This is achieved by sorting the vertices based on body part annotations or the 3D vertex locations of a template mesh, such that the ordering respects the structure of articulated shapes. Based on MeshMamba, we design 1) MambaDiff3D, a denoising diffusion model for generating 3D articulated meshes and 2) Mamba-HMR, a 3D human mesh recovery model that reconstructs a human body shape and pose from a single image. Experimental results showed that MambaDiff3D can generate dense 3D human meshes in clothes, with grasping hands, etc., and outperforms previous approaches in the 3D human shape generation task. Additionally, Mamba-HMR extends the capabilities of previous non-parametric human mesh recovery approaches, which were limited to handling body-only poses using around 500 vertex tokens, to the whole-body setting with face and hands, while achieving competitive performance in (near) real-time.

Accurate, up-to-date High-Definition (HD) maps are critical for urban planning, infrastructure monitoring, and autonomous navigation. However, these maps quickly become outdated as environments evolve, creating a need for robust methods that not only detect changes but also incorporate them into updated 3D representations. While change detection techniques have advanced significantly, there remains a clear gap between detecting changes and actually updating 3D maps, particularly when relying on 2D image-based change detection. To address this gap, we introduce SceneEdited, the first city-scale dataset explicitly designed to support research on HD map maintenance through 3D point cloud updating. SceneEdited contains over 800 up-to-date scenes covering 73 km of driving and approximate 3 km^2 of urban area, with more than 23,000 synthesized object changes created both manually and automatically across 2000+ out-of-date versions, simulating realistic urban modifications such as missing roadside infrastructure, buildings, overpasses, and utility poles. Each scene includes calibrated RGB images, LiDAR scans, and detailed change masks for training and evaluation. We also provide baseline methods using a foundational image-based structure-from-motion pipeline for updating outdated scenes, as well as a comprehensive toolkit supporting scalability, trackability, and portability for future dataset expansion and unification of out-of-date object annotations. Both the dataset and the toolkit are publicly available at https://github.com/ChadLin9596/ScenePoint-ETK, establising a standardized benchmark for 3D map updating research.

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based tasks, but their direct adaptation to tasks involving protein structures remains a challenge. In contrast, structure-based methods leverage 3D structural information with graph neural networks and geometric pre-training methods show potential in function prediction tasks, but still suffers from the limited number of available structures. To bridge this gap, our study undertakes a comprehensive exploration of joint protein representation learning by integrating a state-of-the-art PLM (ESM-2) with distinct structure encoders (GVP, GearNet, CDConv). We introduce three representation fusion strategies and explore different pre-training techniques. Our method achieves significant improvements over existing sequence- and structure-based methods, setting new state-of-the-art for function annotation. This study underscores several important design choices for fusing protein sequence and structure information. Our implementation is available at https://github.com/DeepGraphLearning/ESM-GearNet.

Humans describe complex scenes with compositionality, using simple text descriptions enriched with links and relationships. While vision-language research has aimed to develop models with compositional understanding capabilities, this is not reflected yet in existing datasets which, for the most part, still use plain text to describe images. In this work, we propose a new annotation strategy, graph-based captioning (GBC) that describes an image using a labelled graph structure, with nodes of various types. The nodes in GBC are created using, in a first stage, object detection and dense captioning tools nested recursively to uncover and describe entity nodes, further linked together in a second stage by highlighting, using new types of nodes, compositions and relations among entities. Since all GBC nodes hold plain text descriptions, GBC retains the flexibility found in natural language, but can also encode hierarchical information in its edges. We demonstrate that GBC can be produced automatically, using off-the-shelf multimodal LLMs and open-vocabulary detection models, by building a new dataset, GBC10M, gathering GBC annotations for about 10M images of the CC12M dataset. We use GBC10M to showcase the wealth of node captions uncovered by GBC, as measured with CLIP training. We show that using GBC nodes' annotations -- notably those stored in composition and relation nodes -- results in significant performance boost on downstream models when compared to other dataset formats. To further explore the opportunities provided by GBC, we also propose a new attention mechanism that can leverage the entire GBC graph, with encouraging experimental results that show the extra benefits of incorporating the graph structure. Our datasets are released at https://huggingface.co/graph-based-captions.

The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is the leading technique for high-throughput elucidation of molecular structures. However, decoding a molecular structure from its mass spectrum is exceptionally challenging, even when performed by human experts. As a result, the vast majority of acquired MS/MS spectra remain uninterpreted, thereby limiting our understanding of the underlying (bio)chemical processes. Despite decades of progress in machine learning applications for predicting molecular structures from MS/MS spectra, the development of new methods is severely hindered by the lack of standard datasets and evaluation protocols. To address this problem, we propose MassSpecGym -- the first comprehensive benchmark for the discovery and identification of molecules from MS/MS data. Our benchmark comprises the largest publicly available collection of high-quality labeled MS/MS spectra and defines three MS/MS annotation challenges: de novo molecular structure generation, molecule retrieval, and spectrum simulation. It includes new evaluation metrics and a generalization-demanding data split, therefore standardizing the MS/MS annotation tasks and rendering the problem accessible to the broad machine learning community. MassSpecGym is publicly available at https://github.com/pluskal-lab/MassSpecGym.

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively explored, translating protein structure to function continues to present substantial challenges. Various models, particularly, CNN and graph-based deep learning approaches that integrate structural and functional data, have been proposed to address these challenges. However, these methods often fall short in elucidating the functional significance of key residues essential for protein functionality, as they predominantly adopt a retrospective perspective, leading to suboptimal performance. Inspired by region proposal networks in computer vision, we introduce the Protein Region Proposal Network (ProteinRPN) for accurate protein function prediction. Specifically, the region proposal module component of ProteinRPN identifies potential functional regions (anchors) which are refined through the hierarchy-aware node drop pooling layer favoring nodes with defined secondary structures and spatial proximity. The representations of the predicted functional nodes are enriched using attention mechanisms and subsequently fed into a Graph Multiset Transformer, which is trained with supervised contrastive (SupCon) and InfoNCE losses on perturbed protein structures. Our model demonstrates significant improvements in predicting Gene Ontology (GO) terms, effectively localizing functional residues within protein structures. The proposed framework provides a robust, scalable solution for protein function annotation, advancing the understanding of protein structure-function relationships in computational biology.

Existing methods for expressive music performance rendering rely on supervised learning over small labeled datasets, which limits scaling of both data volume and model size, despite the availability of vast unlabeled music, as in vision and language. To address this gap, we introduce Pianist Transformer, with four key contributions: 1) a unified Musical Instrument Digital Interface (MIDI) data representation for learning the shared principles of musical structure and expression without explicit annotation; 2) an efficient asymmetric architecture, enabling longer contexts and faster inference without sacrificing rendering quality; 3) a self-supervised pre-training pipeline with 10B tokens and 135M-parameter model, unlocking data and model scaling advantages for expressive performance rendering; 4) a state-of-the-art performance model, which achieves strong objective metrics and human-level subjective ratings. Overall, Pianist Transformer establishes a scalable path toward human-like performance synthesis in the music domain.

Twitter bot detection has become an increasingly important task to combat misinformation, facilitate social media moderation, and preserve the integrity of the online discourse. State-of-the-art bot detection methods generally leverage the graph structure of the Twitter network, and they exhibit promising performance when confronting novel Twitter bots that traditional methods fail to detect. However, very few of the existing Twitter bot detection datasets are graph-based, and even these few graph-based datasets suffer from limited dataset scale, incomplete graph structure, as well as low annotation quality. In fact, the lack of a large-scale graph-based Twitter bot detection benchmark that addresses these issues has seriously hindered the development and evaluation of novel graph-based bot detection approaches. In this paper, we propose TwiBot-22, a comprehensive graph-based Twitter bot detection benchmark that presents the largest dataset to date, provides diversified entities and relations on the Twitter network, and has considerably better annotation quality than existing datasets. In addition, we re-implement 35 representative Twitter bot detection baselines and evaluate them on 9 datasets, including TwiBot-22, to promote a fair comparison of model performance and a holistic understanding of research progress. To facilitate further research, we consolidate all implemented codes and datasets into the TwiBot-22 evaluation framework, where researchers could consistently evaluate new models and datasets. The TwiBot-22 Twitter bot detection benchmark and evaluation framework are publicly available at https://twibot22.github.io/

Color constancy methods often struggle to generalize across different camera sensors due to varying spectral sensitivities. We present GCC, which leverages diffusion models to inpaint color checkers into images for illumination estimation. Our key innovations include (1) a single-step deterministic inference approach that inpaints color checkers reflecting scene illumination, (2) a Laplacian decomposition technique that preserves checker structure while allowing illumination-dependent color adaptation, and (3) a mask-based data augmentation strategy for handling imprecise color checker annotations. GCC demonstrates superior robustness in cross-camera scenarios, achieving state-of-the-art worst-25% error rates of 5.15{\deg} and 4.32{\deg} in bi-directional evaluations. These results highlight our method's stability and generalization capability across different camera characteristics without requiring sensor-specific training, making it a versatile solution for real-world applications.

Analogy-making between narratives is crucial for human reasoning. In this paper, we evaluate the ability to identify and generate analogies by constructing a first-of-its-kind large-scale story-level analogy corpus, StoryAnalogy, which contains 24K story pairs from diverse domains with human annotations on two similarities from the extended Structure-Mapping Theory. We design a set of tests on StoryAnalogy, presenting the first evaluation of story-level analogy identification and generation. Interestingly, we find that the analogy identification tasks are incredibly difficult not only for sentence embedding models but also for the recent large language models (LLMs) such as ChatGPT and LLaMa. ChatGPT, for example, only achieved around 30% accuracy in multiple-choice questions (compared to over 85% accuracy for humans). Furthermore, we observe that the data in StoryAnalogy can improve the quality of analogy generation in LLMs, where a fine-tuned FlanT5-xxl model achieves comparable performance to zero-shot ChatGPT.

Reinforcement learning (RL) with verifiable rewards has recently catalyzed a wave of "MLLM-r1" approaches that bring RL to vision language models. Most representative paradigms begin with a cold start, typically employing supervised fine-tuning (SFT), to initialize the policy before RL. However, SFT-based cold start adopts the reasoning paradigm intertwined with task solution and output format, which may induce instruction-style overfitting, weakens out-of-distribution generalization, and ultimately affects downstream RL. We revisit the cold start along two views, its training method and data construction, and introduce the Generalization Factor (GF) coefficient to quantify the generalization capability under different methods. Our empirical study finds that preference-based training methods (e.g. DPO) generalizes better than SFT-based methods in cold start. Motivated by this, we propose SPECS-a Self-distilled, Preference-based Cold Start framework that decouples multimodal learning: (1) generates introspective preference data pairs via self-distillation, avoiding reliance on larger teachers or manual annotation; (2) performs preference-based training to learn, focusing on shallow, transferable surface-form criteria (format, structure, style) rather than memorizing content; and (3) hands off to RL with verifiable rewards for deep reasoning results. Experimental results across multiple multimodal benchmarks show that our decoupling learning framework yields consistent performance gains over strong baselines, improving MEGA-Bench by 4.1% and MathVista by 12.2%. Additional experiments indicate that SPECS contributes to reducing in-distribution "stuckness," improving exploration, stabilizing training, and raising the performance ceiling.

Despite advances in Large Language Models (LLMs) and Multimodal LLMs (MLLMs) for visual document understanding (VDU), visual information extraction (VIE) from relation-rich documents remains challenging due to the layout diversity and limited training data. While existing synthetic document generators attempt to address data scarcity, they either rely on manually designed layouts and templates, or adopt rule-based approaches that limit layout diversity. Besides, current layout generation methods focus solely on topological patterns without considering textual content, making them impractical for generating documents with complex associations between the contents and layouts. In this paper, we propose a Relation-rIch visual Document GEnerator (RIDGE) that addresses these limitations through a two-stage approach: (1) Content Generation, which leverages LLMs to generate document content using a carefully designed Hierarchical Structure Text format which captures entity categories and relationships, and (2) Content-driven Layout Generation, which learns to create diverse, plausible document layouts solely from easily available Optical Character Recognition (OCR) results, requiring no human labeling or annotations efforts. Experimental results have demonstrated that our method significantly enhances the performance of document understanding models on various VIE benchmarks. The code and model will be available at https://github.com/AI-Application-and-Integration-Lab/RIDGE .

The HuggingFace Datasets Hub hosts thousands of datasets. This provides exciting opportunities for language model training and evaluation. However, the datasets for a given type of task are stored with different schemas, and harmonization is harder than it seems (https://xkcd.com/927/). Multi-task training or evaluation requires manual work to fit data into task templates. Various initiatives independently address this problem by releasing the harmonized datasets or harmonization codes to preprocess datasets to the same format. We identify patterns across previous preprocessings, e.g. mapping of column names, and extraction of a specific sub-field from structured data in a column, and propose a structured annotation framework that makes our annotations fully exposed and not buried in unstructured code. We release a dataset annotation framework and dataset annotations for more than 400 English tasks (https://github.com/sileod/tasksource). These annotations provide metadata, like the name of the columns that should be used as input or labels for all datasets, and can save time for future dataset preprocessings, even if they do not use our framework. We fine-tune a multi-task text encoder on all tasksource tasks, outperforming every publicly available text encoder of comparable size on an external evaluation https://hf.co/sileod/deberta-v3-base-tasksource-nli.

With the rapid advancement of diffusion models, text-to-image generation has achieved significant progress in image resolution, detail fidelity, and semantic alignment, particularly with models like Stable Diffusion 3.5, Stable Diffusion XL, and FLUX 1. However, generating emotionally expressive and abstract artistic images remains a major challenge, largely due to the lack of large-scale, fine-grained emotional datasets. To address this gap, we present the EmoArt Dataset -- one of the most comprehensive emotion-annotated art datasets to date. It contains 132,664 artworks across 56 painting styles (e.g., Impressionism, Expressionism, Abstract Art), offering rich stylistic and cultural diversity. Each image includes structured annotations: objective scene descriptions, five key visual attributes (brushwork, composition, color, line, light), binary arousal-valence labels, twelve emotion categories, and potential art therapy effects. Using EmoArt, we systematically evaluate popular text-to-image diffusion models for their ability to generate emotionally aligned images from text. Our work provides essential data and benchmarks for emotion-driven image synthesis and aims to advance fields such as affective computing, multimodal learning, and computational art, enabling applications in art therapy and creative design. The dataset and more details can be accessed via our project website.

Ensuring native-like quality of large language model (LLM) responses across many languages is challenging. To address this, we introduce MENLO, a framework that operationalizes the evaluation of native-like response quality based on audience design-inspired mechanisms. Using MENLO, we create a dataset of 6,423 human-annotated prompt-response preference pairs covering four quality dimensions with high inter-annotator agreement in 47 language varieties. Our evaluation reveals that zero-shot LLM judges benefit significantly from pairwise evaluation and our structured annotation rubrics, yet they still underperform human annotators on our dataset. We demonstrate substantial improvements through fine-tuning with reinforcement learning, reward shaping, and multi-task learning approaches. Additionally, we show that RL-trained judges can serve as generative reward models to enhance LLMs' multilingual proficiency, though discrepancies with human judgment remain. Our findings suggest promising directions for scalable multilingual evaluation and preference alignment. We release our dataset and evaluation framework to support further research in multilingual LLM evaluation.

Detecting online hate is a difficult task that even state-of-the-art models struggle with. Typically, hate speech detection models are evaluated by measuring their performance on held-out test data using metrics such as accuracy and F1 score. However, this approach makes it difficult to identify specific model weak points. It also risks overestimating generalisable model performance due to increasingly well-evidenced systematic gaps and biases in hate speech datasets. To enable more targeted diagnostic insights, we introduce HateCheck, a suite of functional tests for hate speech detection models. We specify 29 model functionalities motivated by a review of previous research and a series of interviews with civil society stakeholders. We craft test cases for each functionality and validate their quality through a structured annotation process. To illustrate HateCheck's utility, we test near-state-of-the-art transformer models as well as two popular commercial models, revealing critical model weaknesses.

Large Language Models (LLMs) are increasingly utilized in scientific research assessment, particularly in automated paper review. However, existing LLM-based review systems face significant challenges, including limited domain expertise, hallucinated reasoning, and a lack of structured evaluation. To address these limitations, we introduce DeepReview, a multi-stage framework designed to emulate expert reviewers by incorporating structured analysis, literature retrieval, and evidence-based argumentation. Using DeepReview-13K, a curated dataset with structured annotations, we train DeepReviewer-14B, which outperforms CycleReviewer-70B with fewer tokens. In its best mode, DeepReviewer-14B achieves win rates of 88.21\% and 80.20\% against GPT-o1 and DeepSeek-R1 in evaluations. Our work sets a new benchmark for LLM-based paper review, with all resources publicly available. The code, model, dataset and demo have be released in http://ai-researcher.net.

Multimodal Large Language Models (MLLMs) have achieved remarkable visual reasoning abilities in natural images, text-rich documents, and graphic designs. However, their ability to interpret music sheets remains underexplored. To bridge this gap, we introduce MusiXQA, the first comprehensive dataset for evaluating and advancing MLLMs in music sheet understanding. MusiXQA features high-quality synthetic music sheets generated via MusiXTeX, with structured annotations covering note pitch and duration, chords, clefs, key/time signatures, and text, enabling diverse visual QA tasks. Through extensive evaluations, we reveal significant limitations of current state-of-the-art MLLMs in this domain. Beyond benchmarking, we developed Phi-3-MusiX, an MLLM fine-tuned on our dataset, achieving significant performance gains over GPT-based methods. The proposed dataset and model establish a foundation for future advances in MLLMs for music sheet understanding. Code, data, and model will be released upon acceptance.

Large language models (LLMs) have demonstrated strong reasoning abilities across specialized domains, motivating research into their application to legal reasoning. However, existing legal benchmarks often conflate factual recall with genuine inference, fragment the reasoning process, and overlook the quality of reasoning. To address these limitations, we introduce MSLR, the first Chinese multi-step legal reasoning dataset grounded in real-world judicial decision making. MSLR adopts the IRAC framework (Issue, Rule, Application, Conclusion) to model structured expert reasoning from official legal documents. In addition, we design a scalable Human-LLM collaborative annotation pipeline that efficiently produces fine-grained step-level reasoning annotations and provides a reusable methodological framework for multi-step reasoning datasets. Evaluation of multiple LLMs on MSLR shows only moderate performance, highlighting the challenges of adapting to complex legal reasoning. Further experiments demonstrate that Self-Initiated Chain-of-Thought prompts generated by models autonomously improve reasoning coherence and quality, outperforming human-designed prompts. MSLR contributes to advancing LLM reasoning and Chain-of-Thought strategies and offers open resources for future research. The dataset and code are available at https://github.com/yuwenhan07/MSLR-Bench and https://law.sjtu.edu.cn/flszyjzx/index.html.

Sentiment transfer is one popular example of a text style transfer task, where the goal is to reverse the sentiment polarity of a text. With a sentiment reversal comes also a reversal in meaning. We introduce a different but related task called positive reframing in which we neutralize a negative point of view and generate a more positive perspective for the author without contradicting the original meaning. Our insistence on meaning preservation makes positive reframing a challenging and semantically rich task. To facilitate rapid progress, we introduce a large-scale benchmark, Positive Psychology Frames, with 8,349 sentence pairs and 12,755 structured annotations to explain positive reframing in terms of six theoretically-motivated reframing strategies. Then we evaluate a set of state-of-the-art text style transfer models, and conclude by discussing key challenges and directions for future work.

Recent years have seen a paradigm shift in NLP towards using pretrained language models ({PLM}) for a wide range of tasks. However, there are many difficult design decisions to represent structures (e.g. tagged text, coreference chains) in a way such that they can be captured by PLMs. Prior work on structured prediction with PLMs typically flattens the structured output into a sequence, which limits the quality of structural information being learned and leads to inferior performance compared to classic discriminative models. In this work, we describe an approach to model structures as sequences of actions in an autoregressive manner with PLMs, allowing in-structure dependencies to be learned without any loss. Our approach achieves the new state-of-the-art on all the structured prediction tasks we looked at, namely, named entity recognition, end-to-end relation extraction, and coreference resolution.

Structure information is critical for understanding the semantics of text-rich images, such as documents, tables, and charts. Existing Multimodal Large Language Models (MLLMs) for Visual Document Understanding are equipped with text recognition ability but lack general structure understanding abilities for text-rich document images. In this work, we emphasize the importance of structure information in Visual Document Understanding and propose the Unified Structure Learning to boost the performance of MLLMs. Our Unified Structure Learning comprises structure-aware parsing tasks and multi-grained text localization tasks across 5 domains: document, webpage, table, chart, and natural image. To better encode structure information, we design a simple and effective vision-to-text module H-Reducer, which can not only maintain the layout information but also reduce the length of visual features by merging horizontal adjacent patches through convolution, enabling the LLM to understand high-resolution images more efficiently. Furthermore, by constructing structure-aware text sequences and multi-grained pairs of texts and bounding boxes for publicly available text-rich images, we build a comprehensive training set DocStruct4M to support structure learning. Finally, we construct a small but high-quality reasoning tuning dataset DocReason25K to trigger the detailed explanation ability in the document domain. Our model DocOwl 1.5 achieves state-of-the-art performance on 10 visual document understanding benchmarks, improving the SOTA performance of MLLMs with a 7B LLM by more than 10 points in 5/10 benchmarks. Our codes, models, and datasets are publicly available at https://github.com/X-PLUG/mPLUG-DocOwl/tree/main/DocOwl1.5.

The automated analysis of chemical literature holds promise to accelerate discovery in fields such as material science and drug development. In particular, search capabilities for chemical structures and Markush structures (chemical structure templates) within patent documents are valuable, e.g., for prior-art search. Advancements have been made in the automatic extraction of chemical structures from text and images, yet the Markush structures remain largely unexplored due to their complex multi-modal nature. In this work, we present MarkushGrapher, a multi-modal approach for recognizing Markush structures in documents. Our method jointly encodes text, image, and layout information through a Vision-Text-Layout encoder and an Optical Chemical Structure Recognition vision encoder. These representations are merged and used to auto-regressively generate a sequential graph representation of the Markush structure along with a table defining its variable groups. To overcome the lack of real-world training data, we propose a synthetic data generation pipeline that produces a wide range of realistic Markush structures. Additionally, we present M2S, the first annotated benchmark of real-world Markush structures, to advance research on this challenging task. Extensive experiments demonstrate that our approach outperforms state-of-the-art chemistry-specific and general-purpose vision-language models in most evaluation settings. Code, models, and datasets will be available.

Universally modeling all typical information extraction tasks (UIE) with one generative language model (GLM) has revealed great potential by the latest study, where various IE predictions are unified into a linearized hierarchical expression under a GLM. Syntactic structure information, a type of effective feature which has been extensively utilized in IE community, should also be beneficial to UIE. In this work, we propose a novel structure-aware GLM, fully unleashing the power of syntactic knowledge for UIE. A heterogeneous structure inductor is explored to unsupervisedly induce rich heterogeneous structural representations by post-training an existing GLM. In particular, a structural broadcaster is devised to compact various latent trees into explicit high-order forests, helping to guide a better generation during decoding. We finally introduce a task-oriented structure fine-tuning mechanism, further adjusting the learned structures to most coincide with the end-task's need. Over 12 IE benchmarks across 7 tasks our system shows significant improvements over the baseline UIE system. Further in-depth analyses show that our GLM learns rich task-adaptive structural bias that greatly resolves the UIE crux, the long-range dependence issue and boundary identifying. Source codes are open at https://github.com/ChocoWu/LasUIE.

Scientific posters play a vital role in academic communication by presenting ideas through visual summaries. Analyzing reading order and parent-child relations of posters is essential for building structure-aware interfaces that facilitate clear and accurate understanding of research content. Despite their prevalence in academic communication, posters remain underexplored in structural analysis research, which has primarily focused on papers. To address this gap, we constructed SciPostLayoutTree, a dataset of approximately 8,000 posters annotated with reading order and parent-child relations. Compared to an existing structural analysis dataset, SciPostLayoutTree contains more instances of spatially challenging relations, including upward, horizontal, and long-distance relations. As a solution to these challenges, we develop Layout Tree Decoder, which incorporates visual features as well as bounding box features including position and category information. The model also uses beam search to predict relations while capturing sequence-level plausibility. Experimental results demonstrate that our model improves the prediction accuracy for spatially challenging relations and establishes a solid baseline for poster structure analysis. The dataset is publicly available at https://huggingface.co/datasets/omron-sinicx/scipostlayouttree. The code is also publicly available at https://github.com/omron-sinicx/scipostlayouttree.

Despite the power of Large Language Models (LLMs) like GPT-4, they still struggle with tasks that require generating complex, structured outputs. In this study, we assess the capability of Current LLMs in generating complex structured data and propose a structure-aware fine-tuning approach as a solution to improve this ability. To perform a comprehensive evaluation, we propose Struc-Bench, include five representative LLMs (i.e., GPT-NeoX 20B, GPT-3.5, GPT-4, and Vicuna) and evaluate them on our carefully constructed datasets spanning raw text, HTML, and LaTeX tables. Based on our analysis of current model performance, we identify specific common formatting errors and areas of potential improvement. To address complex formatting requirements, we utilize FormatCoT (Chain-of-Thought) to generate format instructions from target outputs. Our experiments show that our structure-aware fine-tuning method, when applied to LLaMA-7B, significantly improves adherence to natural language constraints, outperforming other evaluated LLMs. Based on these results, we present an ability map of model capabilities from six dimensions (i.e., coverage, formatting, reasoning, comprehension, pragmatics, and hallucination). This map highlights the weaknesses of LLMs in handling complex structured outputs and suggests promising directions for future work. Our code and models can be found at https://github.com/gersteinlab/Struc-Bench.

Identifying the intent of a citation in scientific papers (e.g., background information, use of methods, comparing results) is critical for machine reading of individual publications and automated analysis of the scientific literature. We propose structural scaffolds, a multitask model to incorporate structural information of scientific papers into citations for effective classification of citation intents. Our model achieves a new state-of-the-art on an existing ACL anthology dataset (ACL-ARC) with a 13.3% absolute increase in F1 score, without relying on external linguistic resources or hand-engineered features as done in existing methods. In addition, we introduce a new dataset of citation intents (SciCite) which is more than five times larger and covers multiple scientific domains compared with existing datasets. Our code and data are available at: https://github.com/allenai/scicite.

Abstractive summarization of scientific papers has always been a research focus, yet existing methods face two main challenges. First, most summarization models rely on Encoder-Decoder architectures that treat papers as sequences of words, thus fail to fully capture the structured information inherent in scientific papers. Second, existing research often use keyword mapping or feature engineering to identify the structural information, but these methods struggle with the structural flexibility of scientific papers and lack robustness across different disciplines. To address these challenges, we propose a two-stage abstractive summarization framework that leverages automatic recognition of structural functions within scientific papers. In the first stage, we standardize chapter titles from numerous scientific papers and construct a large-scale dataset for structural function recognition. A classifier is then trained to automatically identify the key structural components (e.g., Background, Methods, Results, Discussion), which provides a foundation for generating more balanced summaries. In the second stage, we employ Longformer to capture rich contextual relationships across sections and generating context-aware summaries. Experiments conducted on two domain-specific scientific paper summarization datasets demonstrate that our method outperforms advanced baselines, and generates more comprehensive summaries. The code and dataset can be accessed at https://github.com/tongbao96/code-for-SFR-AS.

Managing extensive context remains a critical bottleneck for Large Language Models (LLMs), particularly in applications like long-document question answering and autonomous agents where lengthy inputs incur high computational costs and introduce noise. Existing compression techniques often disrupt local coherence through discrete token removal or rely on implicit latent encoding that suffers from positional bias and incompatibility with closed-source APIs. To address these limitations, we introduce the EDU-based Context Compressor, a novel explicit compression framework designed to preserve both global structure and fine-grained details. Our approach reformulates context compression as a structure-then-select process. First, our LingoEDU transforms linear text into a structural relation tree of Elementary Discourse Units (EDUs) which are anchored strictly to source indices to eliminate hallucination. Second, a lightweight ranking module selects query-relevant sub-trees for linearization. To rigorously evaluate structural understanding, we release StructBench, a manually annotated dataset of 248 diverse documents. Empirical results demonstrate that our method achieves state-of-the-art structural prediction accuracy and significantly outperforms frontier LLMs while reducing costs. Furthermore, our structure-aware compression substantially enhances performance across downstream tasks ranging from long-context tasks to complex Deep Search scenarios.

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

This paper presents NorNE, a manually annotated corpus of named entities which extends the annotation of the existing Norwegian Dependency Treebank. Comprising both of the official standards of written Norwegian (Bokm{\aa}l and Nynorsk), the corpus contains around 600,000 tokens and annotates a rich set of entity types including persons, organizations, locations, geo-political entities, products, and events, in addition to a class corresponding to nominals derived from names. We here present details on the annotation effort, guidelines, inter-annotator agreement and an experimental analysis of the corpus using a neural sequence labeling architecture.

Named entity recognition is a fundamental task in natural language processing, identifying the span and category of entities in unstructured texts. The traditional sequence labeling methodology ignores the nested entities, i.e. entities included in other entity mentions. Many approaches attempt to address this scenario, most of which rely on complex structures or have high computation complexity. The representation learning of the heterogeneous star graph containing text nodes and type nodes is investigated in this paper. In addition, we revise the graph attention mechanism into a hybrid form to address its unreasonableness in specific topologies. The model performs the type-supervised sequence labeling after updating nodes in the graph. The annotation scheme is an extension of the single-layer sequence labeling and is able to cope with the vast majority of nested entities. Extensive experiments on public NER datasets reveal the effectiveness of our model in extracting both flat and nested entities. The method achieved state-of-the-art performance on both flat and nested datasets. The significant improvement in accuracy reflects the superiority of the multi-layer labeling strategy.

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have emerged as the preferred method for this challenge, thanks to their ability to harness large sequence databases. Yet, their reliance on expansive sequence data and parameter sets limits their flexibility and practicality in real-world scenarios. Concurrently, the recent surge in computationally predicted protein structures unlocks new opportunities in protein representation learning. While promising, the computational burden carried by such complex data still hinders widely-adopted practical applications. To address these limitations, we introduce a novel framework that enhances protein language models by integrating protein structural data. Drawing from recent advances in graph transformers, our approach refines the self-attention mechanisms of pretrained language transformers by integrating structural information with structure extractor modules. This refined model, termed Protein Structure Transformer (PST), is further pretrained on a small protein structure database, using the same masked language modeling objective as traditional protein language models. Empirical evaluations of PST demonstrate its superior parameter efficiency relative to protein language models, despite being pretrained on a dataset comprising only 542K structures. Notably, PST consistently outperforms the state-of-the-art foundation model for protein sequences, ESM-2, setting a new benchmark in protein function prediction. Our findings underscore the potential of integrating structural information into protein language models, paving the way for more effective and efficient protein modeling Code and pretrained models are available at https://github.com/BorgwardtLab/PST.

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models.

We present ShapeNet: a richly-annotated, large-scale repository of shapes represented by 3D CAD models of objects. ShapeNet contains 3D models from a multitude of semantic categories and organizes them under the WordNet taxonomy. It is a collection of datasets providing many semantic annotations for each 3D model such as consistent rigid alignments, parts and bilateral symmetry planes, physical sizes, keywords, as well as other planned annotations. Annotations are made available through a public web-based interface to enable data visualization of object attributes, promote data-driven geometric analysis, and provide a large-scale quantitative benchmark for research in computer graphics and vision. At the time of this technical report, ShapeNet has indexed more than 3,000,000 models, 220,000 models out of which are classified into 3,135 categories (WordNet synsets). In this report we describe the ShapeNet effort as a whole, provide details for all currently available datasets, and summarize future plans.

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to capture detailed relationships across large bodies of work. Unstructured approaches, like retrieval augmented generation, can sift through such corpora to recall relevant facts; however, when millions of facts influence the answer, unstructured approaches become cost prohibitive. Structured representations offer a natural complement -- enabling systematic analysis across the whole corpus. Recent work enhances LLMs with unstructured or semistructured representations of scientific concepts; to complement this, we try extracting structured representations using LLMs. By combining LLMs' semantic understanding with a schema of scientific concepts, we prototype a system that answers precise questions about the literature as a whole. Our schema applies across scientific fields and we extract concepts from it using only 20 manually annotated abstracts. To demonstrate the system, we extract concepts from 30,000 papers on arXiv spanning astrophysics, fluid dynamics, and evolutionary biology. The resulting database highlights emerging trends and, by visualizing the knowledge graph, offers new ways to explore the ever-growing landscape of scientific knowledge. Demo: abby101/surveyor-0 on HF Spaces. Code: https://github.com/chiral-carbon/kg-for-science.

Large language models record impressive performance on many natural language processing tasks. However, their knowledge capacity is limited to the pretraining corpus. Retrieval augmentation offers an effective solution by retrieving context from external knowledge sources to complement the language model. However, existing retrieval augmentation techniques ignore the structural relationships between these documents. Furthermore, retrieval models are not explored much in scientific tasks, especially in regard to the faithfulness of retrieved documents. In this paper, we propose a novel structure-aware retrieval augmented language model that accommodates document structure during retrieval augmentation. We create a heterogeneous document graph capturing multiple types of relationships (e.g., citation, co-authorship, etc.) that connect documents from more than 15 scientific disciplines (e.g., Physics, Medicine, Chemistry, etc.). We train a graph neural network on the curated document graph to act as a structural encoder for the corresponding passages retrieved during the model pretraining. Particularly, along with text embeddings of the retrieved passages, we obtain structural embeddings of the documents (passages) and fuse them together before feeding them to the language model. We evaluate our model extensively on various scientific benchmarks that include science question-answering and scientific document classification tasks. Experimental results demonstrate that structure-aware retrieval improves retrieving more coherent, faithful and contextually relevant passages, while showing a comparable performance in the overall accuracy.

Long-form answers, consisting of multiple sentences, can provide nuanced and comprehensive answers to a broader set of questions. To better understand this complex and understudied task, we study the functional structure of long-form answers collected from three datasets, ELI5, WebGPT and Natural Questions. Our main goal is to understand how humans organize information to craft complex answers. We develop an ontology of six sentence-level functional roles for long-form answers, and annotate 3.9k sentences in 640 answer paragraphs. Different answer collection methods manifest in different discourse structures. We further analyze model-generated answers -- finding that annotators agree less with each other when annotating model-generated answers compared to annotating human-written answers. Our annotated data enables training a strong classifier that can be used for automatic analysis. We hope our work can inspire future research on discourse-level modeling and evaluation of long-form QA systems.

Diderot's Encyclop\'edie is a reference work from XVIIIth century in Europe that aimed at collecting the knowledge of its era. Wikipedia has the same ambition with a much greater scope. However, the lack of digital connection between the two encyclopedias may hinder their comparison and the study of how knowledge has evolved. A key element of Wikipedia is Wikidata that backs the articles with a graph of structured data. In this paper, we describe the annotation of more than 10,300 of the Encyclop\'edie entries with Wikidata identifiers enabling us to connect these entries to the graph. We considered geographic and human entities. The Encyclop\'edie does not contain biographic entries as they mostly appear as subentries of locations. We extracted all the geographic entries and we completely annotated all the entries containing a description of human entities. This represents more than 2,600 links referring to locations or human entities. In addition, we annotated more than 9,500 entries having a geographic content only. We describe the annotation process as well as application examples. This resource is available at https://github.com/pnugues/encyclopedie_1751

Data annotation is the labeling or tagging of raw data with relevant information, essential for improving the efficacy of machine learning models. The process, however, is labor-intensive and expensive. The emergence of advanced Large Language Models (LLMs), exemplified by GPT-4, presents an unprecedented opportunity to revolutionize and automate the intricate process of data annotation. While existing surveys have extensively covered LLM architecture, training, and general applications, this paper uniquely focuses on their specific utility for data annotation. This survey contributes to three core aspects: LLM-Based Data Annotation, Assessing LLM-generated Annotations, and Learning with LLM-generated annotations. Furthermore, the paper includes an in-depth taxonomy of methodologies employing LLMs for data annotation, a comprehensive review of learning strategies for models incorporating LLM-generated annotations, and a detailed discussion on primary challenges and limitations associated with using LLMs for data annotation. As a key guide, this survey aims to direct researchers and practitioners in exploring the potential of the latest LLMs for data annotation, fostering future advancements in this critical domain. We provide a comprehensive papers list at https://github.com/Zhen-Tan-dmml/LLM4Annotation.git.

Mathematical symbols and descriptions appear in various forms across document section boundaries without explicit markup. In this paper, we present a new large-scale dataset that emphasizes extracting symbols and descriptions in scientific documents. Symlink annotates scientific papers of 5 different domains (i.e., computer science, biology, physics, mathematics, and economics). Our experiments on Symlink demonstrate the challenges of the symbol-description linking task for existing models and call for further research effort in this area. We will publicly release Symlink to facilitate future research.

In recent decades, chemistry publications and patents have increased rapidly. A significant portion of key information is embedded in molecular structure figures, complicating large-scale literature searches and limiting the application of large language models in fields such as biology, chemistry, and pharmaceuticals. The automatic extraction of precise chemical structures is of critical importance. However, the presence of numerous Markush structures in real-world documents, along with variations in molecular image quality, drawing styles, and noise, significantly limits the performance of existing optical chemical structure recognition (OCSR) methods. We present MolParser, a novel end-to-end OCSR method that efficiently and accurately recognizes chemical structures from real-world documents, including difficult Markush structure. We use a extended SMILES encoding rule to annotate our training dataset. Under this rule, we build MolParser-7M, the largest annotated molecular image dataset to our knowledge. While utilizing a large amount of synthetic data, we employed active learning methods to incorporate substantial in-the-wild data, specifically samples cropped from real patents and scientific literature, into the training process. We trained an end-to-end molecular image captioning model, MolParser, using a curriculum learning approach. MolParser significantly outperforms classical and learning-based methods across most scenarios, with potential for broader downstream applications. The dataset is publicly available.

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several datasets have been released for the yet understudied materials science domain. However, these datasets focus on sub-problems such as parsing synthesis procedures or on sub-domains, e.g., solid oxide fuel cells. In this resource paper, we present MuLMS, a new dataset of 50 open-access articles, spanning seven sub-domains of materials science. The corpus has been annotated by domain experts with several layers ranging from named entities over relations to frame structures. We present competitive neural models for all tasks and demonstrate that multi-task training with existing related resources leads to benefits.

Universal Dependencies is an open community effort to create cross-linguistically consistent treebank annotation for many languages within a dependency-based lexicalist framework. The annotation consists in a linguistically motivated word segmentation; a morphological layer comprising lemmas, universal part-of-speech tags, and standardized morphological features; and a syntactic layer focusing on syntactic relations between predicates, arguments and modifiers. In this paper, we describe version 2 of the guidelines (UD v2), discuss the major changes from UD v1 to UD v2, and give an overview of the currently available treebanks for 90 languages.

The integration of molecule and language has garnered increasing attention in molecular science. Recent advancements in Language Models (LMs) have demonstrated potential for the comprehensive modeling of molecule and language. However, existing works exhibit notable limitations. Most existing works overlook the modeling of 3D information, which is crucial for understanding molecular structures and also functions. While some attempts have been made to leverage external structure encoding modules to inject the 3D molecular information into LMs, there exist obvious difficulties that hinder the integration of molecular structure and language text, such as modality alignment and separate tuning. To bridge this gap, we propose 3D-MolT5, a unified framework designed to model both 1D molecular sequence and 3D molecular structure. The key innovation lies in our methodology for mapping fine-grained 3D substructure representations (based on 3D molecular fingerprints) to a specialized 3D token vocabulary for 3D-MolT5. This 3D structure token vocabulary enables the seamless combination of 1D sequence and 3D structure representations in a tokenized format, allowing 3D-MolT5 to encode molecular sequence (SELFIES), molecular structure, and text sequences within a unified architecture. Alongside, we further introduce 1D and 3D joint pre-training to enhance the model's comprehension of these diverse modalities in a joint representation space and better generalize to various tasks for our foundation model. Through instruction tuning on multiple downstream datasets, our proposed 3D-MolT5 shows superior performance than existing methods in molecular property prediction, molecule captioning, and text-based molecule generation tasks. Our code will be available on GitHub soon.

Tables are widely used in documents because of their compact and structured representation of information. In particular, in scientific papers, tables can sum up novel discoveries and summarize experimental results, making the research comparable and easily understandable by scholars. Since the layout of tables is highly variable, it would be useful to interpret their content and classify them into categories. This could be helpful to directly extract information from scientific papers, for instance comparing performance of some models given their paper result tables. In this work, we address the classification of tables using a Graph Neural Network, exploiting the table structure for the message passing algorithm in use. We evaluate our model on a subset of the Tab2Know dataset. Since it contains few examples manually annotated, we propose data augmentation techniques directly on the table graph structures. We achieve promising preliminary results, proposing a data augmentation method suitable for graph-based table representation.

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

Recent studies on AMR-to-text generation often formalize the task as a sequence-to-sequence (seq2seq) learning problem by converting an Abstract Meaning Representation (AMR) graph into a word sequence. Graph structures are further modeled into the seq2seq framework in order to utilize the structural information in the AMR graphs. However, previous approaches only consider the relations between directly connected concepts while ignoring the rich structure in AMR graphs. In this paper we eliminate such a strong limitation and propose a novel structure-aware self-attention approach to better modeling the relations between indirectly connected concepts in the state-of-the-art seq2seq model, i.e., the Transformer. In particular, a few different methods are explored to learn structural representations between two concepts. Experimental results on English AMR benchmark datasets show that our approach significantly outperforms the state of the art with 29.66 and 31.82 BLEU scores on LDC2015E86 and LDC2017T10, respectively. To the best of our knowledge, these are the best results achieved so far by supervised models on the benchmarks.

We present EMMa, an Extensible, Multimodal dataset of Amazon product listings that contains rich Material annotations. It contains more than 2.8 million objects, each with image(s), listing text, mass, price, product ratings, and position in Amazon's product-category taxonomy. We also design a comprehensive taxonomy of 182 physical materials (e.g., Plastic rightarrow Thermoplastic rightarrow Acrylic). Objects are annotated with one or more materials from this taxonomy. With the numerous attributes available for each object, we develop a Smart Labeling framework to quickly add new binary labels to all objects with very little manual labeling effort, making the dataset extensible. Each object attribute in our dataset can be included in either the model inputs or outputs, leading to combinatorial possibilities in task configurations. For example, we can train a model to predict the object category from the listing text, or the mass and price from the product listing image. EMMa offers a new benchmark for multi-task learning in computer vision and NLP, and allows practitioners to efficiently add new tasks and object attributes at scale.

Important information that relates to a specific topic in a document is often organized in tabular format to assist readers with information retrieval and comparison, which may be difficult to provide in natural language. However, tabular data in unstructured digital documents, e.g., Portable Document Format (PDF) and images, are difficult to parse into structured machine-readable format, due to complexity and diversity in their structure and style. To facilitate image-based table recognition with deep learning, we develop the largest publicly available table recognition dataset PubTabNet (https://github.com/ibm-aur-nlp/PubTabNet), containing 568k table images with corresponding structured HTML representation. PubTabNet is automatically generated by matching the XML and PDF representations of the scientific articles in PubMed Central Open Access Subset (PMCOA). We also propose a novel attention-based encoder-dual-decoder (EDD) architecture that converts images of tables into HTML code. The model has a structure decoder which reconstructs the table structure and helps the cell decoder to recognize cell content. In addition, we propose a new Tree-Edit-Distance-based Similarity (TEDS) metric for table recognition, which more appropriately captures multi-hop cell misalignment and OCR errors than the pre-established metric. The experiments demonstrate that the EDD model can accurately recognize complex tables solely relying on the image representation, outperforming the state-of-the-art by 9.7% absolute TEDS score.

The growing complexity of legal cases has lead to an increasing interest in legal information retrieval systems that can effectively satisfy user-specific information needs. However, such downstream systems typically require documents to be properly formatted and segmented, which is often done with relatively simple pre-processing steps, disregarding topical coherence of segments. Systems generally rely on representations of individual sentences or paragraphs, which may lack crucial context, or document-level representations, which are too long for meaningful search results. To address this issue, we propose a segmentation system that can predict topical coherence of sequential text segments spanning several paragraphs, effectively segmenting a document and providing a more balanced representation for downstream applications. We build our model on top of popular transformer networks and formulate structural text segmentation as topical change detection, by performing a series of independent classifications that allow for efficient fine-tuning on task-specific data. We crawl a novel dataset consisting of roughly 74,000 online Terms-of-Service documents, including hierarchical topic annotations, which we use for training. Results show that our proposed system significantly outperforms baselines, and adapts well to structural peculiarities of legal documents. We release both data and trained models to the research community for future work.https://github.com/dennlinger/TopicalChange

We present a corpus of 5,000 richly annotated abstracts of medical articles describing clinical randomized controlled trials. Annotations include demarcations of text spans that describe the Patient population enrolled, the Interventions studied and to what they were Compared, and the Outcomes measured (the `PICO' elements). These spans are further annotated at a more granular level, e.g., individual interventions within them are marked and mapped onto a structured medical vocabulary. We acquired annotations from a diverse set of workers with varying levels of expertise and cost. We describe our data collection process and the corpus itself in detail. We then outline a set of challenging NLP tasks that would aid searching of the medical literature and the practice of evidence-based medicine.

Multi-modal document retrieval is designed to identify and retrieve various forms of multi-modal content, such as figures, tables, charts, and layout information from extensive documents. Despite its significance, there is a notable lack of a robust benchmark to effectively evaluate the performance of systems in multi-modal document retrieval. To address this gap, this work introduces a new benchmark, named as MMDocIR, encompassing two distinct tasks: page-level and layout-level retrieval. The former focuses on localizing the most relevant pages within a long document, while the latter targets the detection of specific layouts, offering a more fine-grained granularity than whole-page analysis. A layout can refer to a variety of elements such as textual paragraphs, equations, figures, tables, or charts. The MMDocIR benchmark comprises a rich dataset featuring expertly annotated labels for 1,685 questions and bootstrapped labels for 173,843 questions, making it a pivotal resource for advancing multi-modal document retrieval for both training and evaluation. Through rigorous experiments, we reveal that (i) visual retrievers significantly outperform their text counterparts, (ii) MMDocIR train set can effectively benefit the training process of multi-modal document retrieval and (iii) text retrievers leveraging on VLM-text perform much better than those using OCR-text. These findings underscores the potential advantages of integrating visual elements for multi-modal document retrieval.

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid sequences and then finetune the models with some labeled data in downstream tasks. Despite the effectiveness of sequence-based approaches, the power of pretraining on known protein structures, which are available in smaller numbers only, has not been explored for protein property prediction, though protein structures are known to be determinants of protein function. In this paper, we propose to pretrain protein representations according to their 3D structures. We first present a simple yet effective encoder to learn the geometric features of a protein. We pretrain the protein graph encoder by leveraging multiview contrastive learning and different self-prediction tasks. Experimental results on both function prediction and fold classification tasks show that our proposed pretraining methods outperform or are on par with the state-of-the-art sequence-based methods, while using much less pretraining data. Our implementation is available at https://github.com/DeepGraphLearning/GearNet.

The field of face recognition (FR) has undergone significant advancements with the rise of deep learning. Recently, the success of unsupervised learning and graph neural networks has demonstrated the effectiveness of data structure information. Considering that the FR task can leverage large-scale training data, which intrinsically contains significant structure information, we aim to investigate how to encode such critical structure information into the latent space. As revealed from our observations, directly aligning the structure information between the input and latent spaces inevitably suffers from an overfitting problem, leading to a structure collapse phenomenon in the latent space. To address this problem, we propose TopoFR, a novel FR model that leverages a topological structure alignment strategy called PTSA and a hard sample mining strategy named SDE. Concretely, PTSA uses persistent homology to align the topological structures of the input and latent spaces, effectively preserving the structure information and improving the generalization performance of FR model. To mitigate the impact of hard samples on the latent space structure, SDE accurately identifies hard samples by automatically computing structure damage score (SDS) for each sample, and directs the model to prioritize optimizing these samples. Experimental results on popular face benchmarks demonstrate the superiority of our TopoFR over the state-of-the-art methods. Code and models are available at: https://github.com/modelscope/facechain/tree/main/face_module/TopoFR.

Mathematical geometric reasoning is essential for scientific discovery and educational development, requiring precise logic and rigorous formal verification. While recent advances in Multimodal Large Language Models (MLLMs) have improved reasoning tasks, existing models typically struggle with formal geometric reasoning, particularly when dynamically constructing and verifying auxiliary geometric elements. To address these challenges, we introduce Geoint-R1, a multimodal reasoning framework designed to generate formally verifiable geometric solutions from textual descriptions and visual diagrams. Geoint-R1 uniquely integrates auxiliary elements construction, formal reasoning represented via Lean4, and interactive visualization. To systematically evaluate and advance formal geometric reasoning, we propose the Geoint benchmark, comprising 1,885 rigorously annotated geometry problems across diverse topics such as plane, spatial, and solid geometry. Each problem includes structured textual annotations, precise Lean4 code for auxiliary constructions, and detailed solution steps verified by experts. Extensive experiments demonstrate that Geoint-R1 significantly surpasses existing multimodal and math-specific reasoning models, particularly on challenging problems requiring explicit auxiliary element constructions.

In populous countries, pending legal cases have been growing exponentially. There is a need for developing techniques for processing and organizing legal documents. In this paper, we introduce a new corpus for structuring legal documents. In particular, we introduce a corpus of legal judgment documents in English that are segmented into topical and coherent parts. Each of these parts is annotated with a label coming from a list of pre-defined Rhetorical Roles. We develop baseline models for automatically predicting rhetorical roles in a legal document based on the annotated corpus. Further, we show the application of rhetorical roles to improve performance on the tasks of summarization and legal judgment prediction. We release the corpus and baseline model code along with the paper.

Structure reasoning is a fundamental capability of large language models (LLMs), enabling them to reason about structured commonsense and answer multi-hop questions. However, existing benchmarks for structure reasoning mainly focus on horizontal and coordinate structures (e.g. graphs), overlooking the hierarchical relationships within them. Hierarchical structure reasoning is crucial for human cognition, particularly in memory organization and problem-solving. It also plays a key role in various real-world tasks, such as information extraction and decision-making. To address this gap, we propose HiBench, the first framework spanning from initial structure generation to final proficiency assessment, designed to benchmark the hierarchical reasoning capabilities of LLMs systematically. HiBench encompasses six representative scenarios, covering both fundamental and practical aspects, and consists of 30 tasks with varying hierarchical complexity, totaling 39,519 queries. To evaluate LLMs comprehensively, we develop five capability dimensions that depict different facets of hierarchical structure understanding. Through extensive evaluation of 20 LLMs from 10 model families, we reveal key insights into their capabilities and limitations: 1) existing LLMs show proficiency in basic hierarchical reasoning tasks; 2) they still struggle with more complex structures and implicit hierarchical representations, especially in structural modification and textual reasoning. Based on these findings, we create a small yet well-designed instruction dataset, which enhances LLMs' performance on HiBench by an average of 88.84\% (Llama-3.1-8B) and 31.38\% (Qwen2.5-7B) across all tasks. The HiBench dataset and toolkit are available here, https://github.com/jzzzzh/HiBench, to encourage evaluation.

Document layout analysis is a known problem to the documents research community and has been vastly explored yielding a multitude of solutions ranging from text mining, and recognition to graph-based representation, visual feature extraction, etc. However, most of the existing works have ignored the crucial fact regarding the scarcity of labeled data. With growing internet connectivity to personal life, an enormous amount of documents had been available in the public domain and thus making data annotation a tedious task. We address this challenge using self-supervision and unlike, the few existing self-supervised document segmentation approaches which use text mining and textual labels, we use a complete vision-based approach in pre-training without any ground-truth label or its derivative. Instead, we generate pseudo-layouts from the document images to pre-train an image encoder to learn the document object representation and localization in a self-supervised framework before fine-tuning it with an object detection model. We show that our pipeline sets a new benchmark in this context and performs at par with the existing methods and the supervised counterparts, if not outperforms. The code is made publicly available at: https://github.com/MaitySubhajit/SelfDocSeg

Recent advances in multimodal large language models (LLMs) have highlighted their potential for medical and surgical applications. However, existing surgical datasets predominantly adopt a Visual Question Answering (VQA) format with heterogeneous taxonomies and lack support for pixel-level segmentation, limiting consistent evaluation and applicability. We present SurgMLLMBench, a unified multimodal benchmark explicitly designed for developing and evaluating interactive multimodal LLMs for surgical scene understanding, including the newly collected Micro-surgical Artificial Vascular anastomosIS (MAVIS) dataset. It integrates pixel-level instrument segmentation masks and structured VQA annotations across laparoscopic, robot-assisted, and micro-surgical domains under a unified taxonomy, enabling comprehensive evaluation beyond traditional VQA tasks and richer visual-conversational interactions. Extensive baseline experiments show that a single model trained on SurgMLLMBench achieves consistent performance across domains and generalizes effectively to unseen datasets. SurgMLLMBench will be publicly released as a robust resource to advance multimodal surgical AI research, supporting reproducible evaluation and development of interactive surgical reasoning models.

We apply category theory to extract multimodal document structure which leads us to develop information theoretic measures, content summarization and extension, and self-supervised improvement of large pretrained models. We first develop a mathematical representation of a document as a category of question-answer pairs. Second, we develop an orthogonalization procedure to divide the information contained in one or more documents into non-overlapping pieces. The structures extracted in the first and second steps lead us to develop methods to measure and enumerate the information contained in a document. We also build on those steps to develop new summarization techniques, as well as to develop a solution to a new problem viz. exegesis resulting in an extension of the original document. Our question-answer pair methodology enables a novel rate distortion analysis of summarization techniques. We implement our techniques using large pretrained models, and we propose a multimodal extension of our overall mathematical framework. Finally, we develop a novel self-supervised method using RLVR to improve large pretrained models using consistency constraints such as composability and closure under certain operations that stem naturally from our category theoretic framework.

The adaptation of large language models (LLMs) to chemistry has shown promising performance in molecular understanding tasks, such as generating a text description from a molecule. However, proper reasoning based on molecular structural information remains a significant challenge, e.g., even advanced LLMs such as GPT-4o struggle to identify functional groups which are crucial for inferring the molecular property of interest. To address this limitation, we propose StructCoT, a structure-aware chain-of-thought (CoT) that enhances LLMs' understanding of molecular structures by explicitly injecting the key structural features of molecules. Moreover, we introduce two fine-tuning frameworks for adapting the existing LLMs to use our StructCoT. Our experiments demonstrate that incorporating StructCoT with our fine-tuning frameworks leads to consistent improvements in both molecular understanding tasks.

While end-to-end video-to-audio generation has greatly improved, producing high-fidelity audio that authentically captures the nuances of visual content remains challenging. Like professionals in the creative industries, such generation requires sophisticated reasoning about items such as visual dynamics, acoustic environments, and temporal relationships. We present ThinkSound, a novel framework that leverages Chain-of-Thought (CoT) reasoning to enable stepwise, interactive audio generation and editing for videos. Our approach decomposes the process into three complementary stages: foundational foley generation that creates semantically coherent soundscapes, interactive object-centric refinement through precise user interactions, and targeted editing guided by natural language instructions. At each stage, a multimodal large language model generates contextually aligned CoT reasoning that guides a unified audio foundation model. Furthermore, we introduce AudioCoT, a comprehensive dataset with structured reasoning annotations that establishes connections between visual content, textual descriptions, and sound synthesis. Experiments demonstrate that ThinkSound achieves state-of-the-art performance in video-to-audio generation across both audio metrics and CoT metrics and excels in out-of-distribution Movie Gen Audio benchmark. The demo page is available at https://ThinkSound-Project.github.io.

Multimodal Large Language Models (MLLMs) have shown remarkable capabilities in video content understanding but still struggle with fine-grained motion comprehension. To comprehensively assess the motion understanding ability of existing MLLMs, we introduce FAVOR-Bench, comprising 1,776 videos with structured manual annotations of various motions. Our benchmark includes both close-ended and open-ended tasks. For close-ended evaluation, we carefully design 8,184 multiple-choice question-answer pairs spanning six distinct sub-tasks. For open-ended evaluation, we develop both a novel cost-efficient LLM-free and a GPT-assisted caption assessment method, where the former can enhance benchmarking interpretability and reproducibility. Comprehensive experiments with 21 state-of-the-art MLLMs reveal significant limitations in their ability to comprehend and describe detailed temporal dynamics in video motions. To alleviate this limitation, we further build FAVOR-Train, a dataset consisting of 17,152 videos with fine-grained motion annotations. The results of finetuning Qwen2.5-VL on FAVOR-Train yield consistent improvements on motion-related tasks of TVBench, MotionBench and our FAVOR-Bench. Comprehensive assessment results demonstrate that the proposed FAVOR-Bench and FAVOR-Train provide valuable tools to the community for developing more powerful video understanding models. Project page: https://favor-bench.github.io/{https://favor-bench.github.io/}.

Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational dynamics. However, the capabilities and limitations associated with these models remain poorly understood due to the absence of a unified evaluation framework. To fill this gap, we introduce ProteinBench, a holistic evaluation framework designed to enhance the transparency of protein foundation models. Our approach consists of three key components: (i) A taxonomic classification of tasks that broadly encompass the main challenges in the protein domain, based on the relationships between different protein modalities; (ii) A multi-metric evaluation approach that assesses performance across four key dimensions: quality, novelty, diversity, and robustness; and (iii) In-depth analyses from various user objectives, providing a holistic view of model performance. Our comprehensive evaluation of protein foundation models reveals several key findings that shed light on their current capabilities and limitations. To promote transparency and facilitate further research, we release the evaluation dataset, code, and a public leaderboard publicly for further analysis and a general modular toolkit. We intend for ProteinBench to be a living benchmark for establishing a standardized, in-depth evaluation framework for protein foundation models, driving their development and application while fostering collaboration within the field.

Large language models (LLMs) have achieved remarkable success across various domains, driving significant technological advancements and innovations. Despite the rapid growth in model scale and capability, systematic, data-driven research on how structural configurations affect performance remains scarce. To address this gap, we present a large-scale dataset encompassing diverse open-source LLM structures and their performance across multiple benchmarks. Leveraging this dataset, we conduct a systematic, data mining-driven analysis to validate and quantify the relationship between structural configurations and performance. Our study begins with a review of the historical development of LLMs and an exploration of potential future trends. We then analyze how various structural choices impact performance across benchmarks and further corroborate our findings using mechanistic interpretability techniques. By providing data-driven insights into LLM optimization, our work aims to guide the targeted development and application of future models. We will release our dataset at https://huggingface.co/datasets/DX0369/LLM-Structure-Performance-Dataset

Large language models have demonstrated substantial advancements in reasoning capabilities, particularly through inference-time scaling, as illustrated by models such as OpenAI's o1. However, current Vision-Language Models (VLMs) often struggle to perform systematic and structured reasoning, especially when handling complex visual question-answering tasks. In this work, we introduce LLaVA-o1, a novel VLM designed to conduct autonomous multistage reasoning. Unlike chain-of-thought prompting, LLaVA-o1 independently engages in sequential stages of summarization, visual interpretation, logical reasoning, and conclusion generation. This structured approach enables LLaVA-o1 to achieve marked improvements in precision on reasoning-intensive tasks. To accomplish this, we compile the LLaVA-o1-100k dataset, integrating samples from various visual question answering sources and providing structured reasoning annotations. Besides, we propose an inference-time stage-level beam search method, which enables effective inference-time scaling. Remarkably, with only 100k training samples and a simple yet effective inference time scaling method, LLaVA-o1 not only outperforms its base model by 8.9% on a wide range of multimodal reasoning benchmarks, but also surpasses the performance of larger and even closed-source models, such as Gemini-1.5-pro, GPT-4o-mini, and Llama-3.2-90B-Vision-Instruct.

Recent advances in Multi-Modal Large Language Models (MLLMs) have enabled unified processing of language, vision, and structured inputs, opening the door to complex tasks such as logical deduction, spatial reasoning, and scientific analysis. Despite their promise, the reasoning capabilities of MLLMs, particularly those augmented with intermediate thinking traces (MLLMs-T), remain poorly understood and lack standardized evaluation benchmarks. Existing work focuses primarily on perception or final answer correctness, offering limited insight into how models reason or fail across modalities. To address this gap, we introduce the MMMR, a new benchmark designed to rigorously evaluate multi-modal reasoning with explicit thinking. The MMMR comprises 1) a high-difficulty dataset of 1,083 questions spanning six diverse reasoning types with symbolic depth and multi-hop demands and 2) a modular Reasoning Trace Evaluation Pipeline (RTEP) for assessing reasoning quality beyond accuracy through metrics like relevance, consistency, and structured error annotations. Empirical results show that MLLMs-T overall outperform non-thinking counterparts, but even top models like Claude-3.7-Sonnet and Gemini-2.5 Pro suffer from reasoning pathologies such as inconsistency and overthinking. This benchmark reveals persistent gaps between accuracy and reasoning quality and provides an actionable evaluation pipeline for future model development. Overall, the MMMR offers a scalable foundation for evaluating, comparing, and improving the next generation of multi-modal reasoning systems.

Retrieving relevant imagery from vast satellite archives is crucial for applications like disaster response and long-term climate monitoring. However, most text-to-image retrieval systems are limited to RGB data, failing to exploit the unique physical information captured by other sensors, such as the all-weather structural sensitivity of Synthetic Aperture Radar (SAR) or the spectral signatures in optical multispectral data. To bridge this gap, we introduce CrisisLandMark, a new large-scale corpus of over 647,000 Sentinel-1 SAR and Sentinel-2 multispectral images paired with structured textual annotations for land cover, land use, and crisis events harmonized from authoritative land cover systems (CORINE and Dynamic World) and crisis-specific sources. We then present CLOSP (Contrastive Language Optical SAR Pretraining), a novel framework that uses text as a bridge to align unpaired optical and SAR images into a unified embedding space. Our experiments show that CLOSP achieves a new state-of-the-art, improving retrieval nDGC by 54% over existing models. Additionally, we find that the unified training strategy overcomes the inherent difficulty of interpreting SAR imagery by transferring rich semantic knowledge from the optical domain with indirect interaction. Furthermore, GeoCLOSP, which integrates geographic coordinates into our framework, creates a powerful trade-off between generality and specificity: while the CLOSP excels at general semantic tasks, the GeoCLOSP becomes a specialized expert for retrieving location-dependent crisis events and rare geographic features. This work highlights that the integration of diverse sensor data and geographic context is essential for unlocking the full potential of remote sensing archives.

We introduce Image2Struct, a benchmark to evaluate vision-language models (VLMs) on extracting structure from images. Our benchmark 1) captures real-world use cases, 2) is fully automatic and does not require human judgment, and 3) is based on a renewable stream of fresh data. In Image2Struct, VLMs are prompted to generate the underlying structure (e.g., LaTeX code or HTML) from an input image (e.g., webpage screenshot). The structure is then rendered to produce an output image (e.g., rendered webpage), which is compared against the input image to produce a similarity score. This round-trip evaluation allows us to quantitatively evaluate VLMs on tasks with multiple valid structures. We create a pipeline that downloads fresh data from active online communities upon execution and evaluates the VLMs without human intervention. We introduce three domains (Webpages, LaTeX, and Musical Scores) and use five image metrics (pixel similarity, cosine similarity between the Inception vectors, learned perceptual image patch similarity, structural similarity index measure, and earth mover similarity) that allow efficient and automatic comparison between pairs of images. We evaluate Image2Struct on 14 prominent VLMs and find that scores vary widely, indicating that Image2Struct can differentiate between the performances of different VLMs. Additionally, the best score varies considerably across domains (e.g., 0.402 on sheet music vs. 0.830 on LaTeX equations), indicating that Image2Struct contains tasks of varying difficulty. For transparency, we release the full results at https://crfm.stanford.edu/helm/image2struct/v1.0.1/.

Several recent papers claim human parity at sentence-level Machine Translation (MT), especially in high-resource languages. Thus, in response, the MT community has, in part, shifted its focus to document-level translation. Translating documents requires a deeper understanding of the structure and meaning of text, which is often captured by various kinds of discourse phenomena such as consistency, coherence, and cohesion. However, this renders conventional sentence-level MT evaluation benchmarks inadequate for evaluating the performance of context-aware MT systems. This paper presents a new dataset with rich discourse annotations, built upon the large-scale parallel corpus BWB introduced in Jiang et al. (2022). The new BWB annotation introduces four extra evaluation aspects, i.e., entity, terminology, coreference, and quotation, covering 15,095 entity mentions in both languages. Using these annotations, we systematically investigate the similarities and differences between the discourse structures of source and target languages, and the challenges they pose to MT. We discover that MT outputs differ fundamentally from human translations in terms of their latent discourse structures. This gives us a new perspective on the challenges and opportunities in document-level MT. We make our resource publicly available to spur future research in document-level MT and the generalization to other language translation tasks.

Graphs are able to model interconnected entities in many online services, supporting a wide range of applications on the Web. This raises an important question: How can we train a graph foundational model on multiple source domains and adapt to an unseen target domain? A major obstacle is that graphs from different domains often exhibit divergent characteristics. Some studies leverage large language models to align multiple domains based on textual descriptions associated with the graphs, limiting their applicability to text-attributed graphs. For text-free graphs, a few recent works attempt to align different feature distributions across domains, while generally neglecting structural differences. In this work, we propose a novel Structure Alignment framework for text-free Multi-domain Graph Pre-Training and cross-domain adaptation (SAMGPT). It is designed to learn multi-domain knowledge from graphs originating in multiple source domains, which can then be adapted to address applications in an unseen target domain. Specifically, we introduce a set of structure tokens to harmonize structure-based aggregation across source domains during the pre-training phase. Next, for cross-domain adaptation, we design dual prompts, namely, holistic prompts and specific prompts, which adapt unified multi-domain structural knowledge and fine-grained, domain-specific information, respectively, to a target domain. Finally, we conduct comprehensive experiments on seven public datasets to evaluate and analyze the effectiveness of SAMGPT.

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted descriptions of biomolecules contained within textual data sources to enhance our fundamental understanding and enable downstream computational tasks such as biomolecule property prediction. The fusion of the nuanced narratives expressed through natural language with the structural and functional specifics of biomolecules described via various molecular modeling techniques opens new avenues for comprehensively representing and analyzing biomolecules. By incorporating the contextual language data that surrounds biomolecules into their modeling, BL aims to capture a holistic view encompassing both the symbolic qualities conveyed through language as well as quantitative structural characteristics. In this review, we provide an extensive analysis of recent advancements achieved through cross modeling of biomolecules and natural language. (1) We begin by outlining the technical representations of biomolecules employed, including sequences, 2D graphs, and 3D structures. (2) We then examine in depth the rationale and key objectives underlying effective multi-modal integration of language and molecular data sources. (3) We subsequently survey the practical applications enabled to date in this developing research area. (4) We also compile and summarize the available resources and datasets to facilitate future work. (5) Looking ahead, we identify several promising research directions worthy of further exploration and investment to continue advancing the field. The related resources and contents are updating in https://github.com/QizhiPei/Awesome-Biomolecule-Language-Cross-Modeling.