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Oct 26

MultiRef-Compass: Towards Comprehensive Evaluation of Multi-Reference-to-Audio-Video Generation

Multi-reference-to-audio-video (MR2AV) generation aims to generate coherent audio-video content conditioned on multiple references and textual instructions. Existing benchmarks mainly focus on text-driven generation, single-reference subject preservation, or isolated audio-video alignment, leaving the emerging MR2AV setting largely unexplored. Compared with these settings, MR2AV requires models to jointly reason over multiple references while generating synchronized visual and audio content. Models must not only preserve each reference faithfully but also correctly bind and compose multiple referenced entities into coherent audio-visual events. To address this gap, we introduce MultiRef-Compass, a unified benchmark for MR2AV generation. It comprises 350 carefully curated samples constructed through a scalable and controllable asset-composition pipeline, covering multi-view subject preservation, multi-entity binding, and human-object-scene composition. To provide interpretable assessment, MultiRef-Compass defines an evaluation protocol with four dimensions: Basic Quality, Reference Consistency, Audio-Visual Consistency, and Instruction Following, using 14 sub-metrics. MultiRef-Compass integrates automatic metrics with a rejudging-enhanced MLLM-as-a-Judge framework, enabling scalable and auditable evaluation of both perceptual fidelity and reference-conditioned composition. Extensive experiments on eight representative MR2AV systems reveal substantial room for improvement across multiple evaluation dimensions, underscoring the need for a comprehensive benchmark and positioning MultiRef-Compass as a foundation for future MR2AV research.

Binding Drift in Multi-Step Tool-Augmented Agents

Tool-augmented language-model agents execute multi-step workflows over external systems, resolving an entity once and then acting on it across subsequent steps. Prior work shows that in single-step actions, agents select the correct tool but bind it to the wrong entity 24-26% of the time. We study what happens to entity bindings over time: do they stay correct, silently drift to a different entity, or, if wrong from the start, propagate and compound? We formalize binding drift (correct at step 1, wrong later) as distinct from error propagation (wrong at step 1, carried forward), and score them on disjoint workflow sets so the two cannot be conflated. In a controlled multi-step testbed (200 workflows, 580 entity-binding-scored steps, four enterprise domains, eight model backends spanning small to frontier), we find: (1) under controlled error injection, an entity lock (the intuitive "persist the first binding" fix) amplifies wrong actions from 907 to 2,746 (3.0x; bootstrap 95% CI [2.8, 3.3]), because it faithfully carries the seeded wrong entity into every later step; (2) the amplification reaches 8.5x on the most affected model (Claude Opus 4.5); (3) a practical LLM-based re-verifier (a single cheap second model call re-reading the original instruction) reduces wrong actions by 79% (0.21x; CI [0.18, 0.25]), closing the gap to within 1 percentage point of an oracle upper-bound (0.20x); and (4) in the natural (non-injected) setting, baseline agents drift on 18% of eligible workflows, with the per-step error rate rising across steps. Persistence and re-verification are not interchangeable: a defense that eliminates drift can worsen propagation, and a practical re-verifier nearly matches oracle recovery.

  • 2 authors
·
Jul 16

HERBench: A Benchmark for Multi-Evidence Integration in Video Question Answering

Video Large Language Models (Video-LLMs) are rapidly improving, yet current Video Question Answering (VideoQA) benchmarks often allow questions to be answered from a single salient cue, under-testing reasoning that must aggregate multiple, temporally separated visual evidence. We present HERBench, a VideoQA benchmark purpose-built to assess multi-evidence integration across time. Each question requires aggregating at least three non-overlapping evidential cues across distinct video segments, so neither language priors nor a single snapshot can suffice. HERBench comprises 26K five-way multiple-choice questions organized into twelve compositional tasks that probe identity binding, cross-entity relations, temporal ordering, co-occurrence verification, and counting. To make evidential demand measurable, we introduce the Minimum Required Frame-Set (MRFS), the smallest number of frames a model must fuse to answer correctly, and show that HERBench imposes substantially higher demand than prior datasets (mean MRFS 5.5 vs. 2.6-4.2). Evaluating 13 state-of-the-art Video-LLMs on HERBench reveals pervasive failures: accuracies of 31-42% are only slightly above the 20% random-guess baseline. We disentangle this failure into two critical bottlenecks: (1) a retrieval deficit, where frame selectors overlook key evidence, and (2) a fusion deficit, where models fail to integrate information even when all necessary evidence is provided. By making cross-time evidence both unavoidable and quantifiable, HERBench establishes a principled target for advancing robust, compositional video understanding.

Insight-bgu INSIGHT Lab
·
Dec 16, 2025 3

Token Merging for Training-Free Semantic Binding in Text-to-Image Synthesis

Although text-to-image (T2I) models exhibit remarkable generation capabilities, they frequently fail to accurately bind semantically related objects or attributes in the input prompts; a challenge termed semantic binding. Previous approaches either involve intensive fine-tuning of the entire T2I model or require users or large language models to specify generation layouts, adding complexity. In this paper, we define semantic binding as the task of associating a given object with its attribute, termed attribute binding, or linking it to other related sub-objects, referred to as object binding. We introduce a novel method called Token Merging (ToMe), which enhances semantic binding by aggregating relevant tokens into a single composite token. This ensures that the object, its attributes and sub-objects all share the same cross-attention map. Additionally, to address potential confusion among main objects with complex textual prompts, we propose end token substitution as a complementary strategy. To further refine our approach in the initial stages of T2I generation, where layouts are determined, we incorporate two auxiliary losses, an entropy loss and a semantic binding loss, to iteratively update the composite token to improve the generation integrity. We conducted extensive experiments to validate the effectiveness of ToMe, comparing it against various existing methods on the T2I-CompBench and our proposed GPT-4o object binding benchmark. Our method is particularly effective in complex scenarios that involve multiple objects and attributes, which previous methods often fail to address. The code will be publicly available at https://github.com/hutaihang/ToMe.

  • 9 authors
·
Nov 11, 2024

MultiBind: A Benchmark for Attribute Misbinding in Multi-Subject Generation

Subject-driven image generation is increasingly expected to support fine-grained control over multiple entities within a single image. In multi-reference workflows, users may provide several subject images, a background reference, and long, entity-indexed prompts to control multiple people within one scene. In this setting, a key failure mode is cross-subject attribute misbinding: attributes are preserved, edited, or transferred to the wrong subject. Existing benchmarks and metrics largely emphasize holistic fidelity or per-subject self-similarity, making such failures hard to diagnose. We introduce MultiBind, a benchmark built from real multi-person photographs. Each instance provides slot-ordered subject crops with masks and bounding boxes, canonicalized subject references, an inpainted background reference, and a dense entity-indexed prompt derived from structured annotations. We also propose a dimension-wise confusion evaluation protocol that matches generated subjects to ground-truth slots and measures slot-to-slot similarity using specialists for face identity, appearance, pose, and expression. By subtracting the corresponding ground-truth similarity matrices, our method separates self-degradation from true cross-subject interference and exposes interpretable failure patterns such as drift, swap, dominance, and blending. Experiments on modern multi-reference generators show that MultiBind reveals binding failures that conventional reconstruction metrics miss.

  • 7 authors
·
Mar 23 2

Rethinking Uncertainly Missing and Ambiguous Visual Modality in Multi-Modal Entity Alignment

As a crucial extension of entity alignment (EA), multi-modal entity alignment (MMEA) aims to identify identical entities across disparate knowledge graphs (KGs) by exploiting associated visual information. However, existing MMEA approaches primarily concentrate on the fusion paradigm of multi-modal entity features, while neglecting the challenges presented by the pervasive phenomenon of missing and intrinsic ambiguity of visual images. In this paper, we present a further analysis of visual modality incompleteness, benchmarking latest MMEA models on our proposed dataset MMEA-UMVM, where the types of alignment KGs covering bilingual and monolingual, with standard (non-iterative) and iterative training paradigms to evaluate the model performance. Our research indicates that, in the face of modality incompleteness, models succumb to overfitting the modality noise, and exhibit performance oscillations or declines at high rates of missing modality. This proves that the inclusion of additional multi-modal data can sometimes adversely affect EA. To address these challenges, we introduce UMAEA , a robust multi-modal entity alignment approach designed to tackle uncertainly missing and ambiguous visual modalities. It consistently achieves SOTA performance across all 97 benchmark splits, significantly surpassing existing baselines with limited parameters and time consumption, while effectively alleviating the identified limitations of other models. Our code and benchmark data are available at https://github.com/zjukg/UMAEA.

  • 9 authors
·
Jul 30, 2023

DocSage: An Information Structuring Agent for Multi-Doc Multi-Entity Question Answering

Multi-document Multi-entity Question Answering inherently demands models to track implicit logic between multiple entities across scattered documents. However, existing Large Language Models (LLMs) and Retrieval-Augmented Generation (RAG) frameworks suffer from critical limitations: standard RAG's vector similarity-based coarse-grained retrieval often omits critical facts, graph-based RAG fails to efficiently integrate fragmented complex relationship networks, and both lack schema awareness, leading to inadequate cross-document evidence chain construction and inaccurate entity relationship deduction. To address these challenges, we propose DocSage, an end-to-end agentic framework that integrates dynamic schema discovery, structured information extraction, and schema-aware relational reasoning with error guarantees. DocSage operates through three core modules: (1) A schema discovery module dynamically infers query-specific minimal joinable schemas to capture essential entities and relationships; (2) An extraction module transforms unstructured text into semantically coherent relational tables, enhanced by error-aware correction mechanisms to reduce extraction errors; (3) A reasoning module performs multi-hop relational reasoning over structured tables, leveraging schema awareness to efficiently align cross-document entities and aggregate evidence. This agentic design offers three key advantages: precise fact localization via SQL-powered indexing, natural support for cross-document entity joins through relational tables, and mitigated LLM attention diffusion via structured representation. Evaluations on two MDMEQA benchmarks demonstrate that DocSage significantly outperforms state-of-the-art long-context LLMs and RAG systems, achieving more than 27% accuracy improvements respectively.

  • 5 authors
·
Mar 11

Autoregressive Entity Retrieval

Entities are at the center of how we represent and aggregate knowledge. For instance, Encyclopedias such as Wikipedia are structured by entities (e.g., one per Wikipedia article). The ability to retrieve such entities given a query is fundamental for knowledge-intensive tasks such as entity linking and open-domain question answering. Current approaches can be understood as classifiers among atomic labels, one for each entity. Their weight vectors are dense entity representations produced by encoding entity meta information such as their descriptions. This approach has several shortcomings: (i) context and entity affinity is mainly captured through a vector dot product, potentially missing fine-grained interactions; (ii) a large memory footprint is needed to store dense representations when considering large entity sets; (iii) an appropriately hard set of negative data has to be subsampled at training time. In this work, we propose GENRE, the first system that retrieves entities by generating their unique names, left to right, token-by-token in an autoregressive fashion. This mitigates the aforementioned technical issues since: (i) the autoregressive formulation directly captures relations between context and entity name, effectively cross encoding both; (ii) the memory footprint is greatly reduced because the parameters of our encoder-decoder architecture scale with vocabulary size, not entity count; (iii) the softmax loss is computed without subsampling negative data. We experiment with more than 20 datasets on entity disambiguation, end-to-end entity linking and document retrieval tasks, achieving new state-of-the-art or very competitive results while using a tiny fraction of the memory footprint of competing systems. Finally, we demonstrate that new entities can be added by simply specifying their names. Code and pre-trained models at https://github.com/facebookresearch/GENRE.

  • 4 authors
·
Oct 2, 2020

MEBench: Benchmarking Large Language Models for Cross-Document Multi-Entity Question Answering

Multi-entity question answering (MEQA) represents significant challenges for large language models (LLM) and retrieval-augmented generation (RAG) systems, which frequently struggle to consolidate scattered information across diverse documents. While existing methods excel at single-document comprehension, they often struggle with cross-document aggregation, particularly when resolving entity-dense questions like "What is the distribution of ACM Fellows among various fields of study?", which require integrating entity-centric insights from heterogeneous sources (e.g., Wikipedia pages). To address this gap, we introduce MEBench, a novel multi-document, multi-entity benchmark designed to systematically evaluate LLMs' capacity to retrieve, consolidate, and reason over fragmented information. Our benchmark comprises 4,780 questions which are systematically categorized into three primary categories, further divided into eight distinct types, ensuring broad coverage of real-world multi-entity reasoning scenarios. Our experiments on state-of-the-art LLMs (e.g., GPT-4, Llama-3) and RAG pipelines reveal critical limitations: even advanced models achieve only 59% accuracy on MEBench. Our benchmark emphasizes the importance of completeness and factual precision of information extraction in MEQA tasks, using Entity-Attributed F1 (EA-F1) metric for granular evaluation of entity-level correctness and attribution validity. MEBench not only highlights systemic weaknesses in current LLM frameworks but also provides a foundation for advancing robust, entity-aware QA architectures.

  • 7 authors
·
Sep 23, 2025

LLM-Align: Utilizing Large Language Models for Entity Alignment in Knowledge Graphs

Entity Alignment (EA) seeks to identify and match corresponding entities across different Knowledge Graphs (KGs), playing a crucial role in knowledge fusion and integration. Embedding-based entity alignment (EA) has recently gained considerable attention, resulting in the emergence of many innovative approaches. Initially, these approaches concentrated on learning entity embeddings based on the structural features of knowledge graphs (KGs) as defined by relation triples. Subsequent methods have integrated entities' names and attributes as supplementary information to improve the embeddings used for EA. However, existing methods lack a deep semantic understanding of entity attributes and relations. In this paper, we propose a Large Language Model (LLM) based Entity Alignment method, LLM-Align, which explores the instruction-following and zero-shot capabilities of Large Language Models to infer alignments of entities. LLM-Align uses heuristic methods to select important attributes and relations of entities, and then feeds the selected triples of entities to an LLM to infer the alignment results. To guarantee the quality of alignment results, we design a multi-round voting mechanism to mitigate the hallucination and positional bias issues that occur with LLMs. Experiments on three EA datasets, demonstrating that our approach achieves state-of-the-art performance compared to existing EA methods.

  • 3 authors
·
Dec 5, 2024

OmniBind: Large-scale Omni Multimodal Representation via Binding Spaces

Recently, human-computer interaction with various modalities has shown promising applications, like GPT-4o and Gemini. Given the foundational role of multimodal joint representation in understanding and generation pipelines, high-quality omni joint representations would be a step toward co-processing more diverse multimodal information. In this work, we present OmniBind, large-scale multimodal joint representation models ranging in scale from 7 billion to 30 billion parameters, which support 3D, audio, image, and language inputs. Due to the scarcity of data pairs across all modalities, instead of training large models from scratch, we propose remapping and binding the spaces of various pre-trained specialist models together. This approach enables "scaling up" by indirectly increasing the model parameters and the amount of seen data. To effectively integrate various spaces, we dynamically assign weights to different spaces by learning routers with two objectives: cross-modal overall alignment and language representation decoupling. Notably, since binding and routing spaces both only require lightweight networks, OmniBind is extremely training-efficient. Learning the largest 30B model requires merely unpaired unimodal data and approximately 3 days on a single 8-4090 node. Extensive experiments demonstrate the versatility and superiority of OmniBind as an omni representation model, highlighting its great potential for diverse applications, such as any-query and composable multimodal understanding.

  • 8 authors
·
Jul 16, 2024 3

Incantation: Natural Language as the Action Interface for Multi-Entity Video World Models

Modern interactive video world models have achieved impressive visual fidelity, yet lack fine-grained multi-entity control and cross-entity, cross-world generalization. We trace this gap to the action interface: standard control protocols (e.g. animation IDs, device inputs, scene-level captions) bind action semantics to specific entities or engines at design time. We propose natural language as the interface to unlock expressiveness that no prior interface can achieve, and we present Incantation, the first interactive video world model with per-latent-frame (0.25 s) natural-language conditioning that supports simultaneous multi-entity control and concept-level cross-entity transfer beyond any fixed rendering pipeline. We pair a pretrained bidirectional video backbone with frame-local text cross-attention, and enable real-time long-horizon streaming through ODE-initialized Self-Forcing distillation with a RoPE-decoupled sliding KV-cache. We surpass the Action-Index baseline on cross-entity transfer (89% vs. 43%) and out-of-vocabulary prompts (90% vs. 0%), and our 2-step student sustains 19.7 FPS at 480p with stable FVD over 2-hour rollouts. We further apply the same architecture and training recipe to The King of Fighters, changing only the per-entity action vocabulary slots. We have released a preview subset of the Incantation dataset at https://huggingface.co/datasets/zhush/incantation-elden-ring-scenes, containing manually collected Elden Ring player-boss combat clips with structured action-oriented metadata. Larger-scale Elden Ring and KOF data will be released with the full project.

  • 14 authors
·
May 17

Beyond Scale and Generation: Understanding Language Model-based Entity Matching

Entity matching identifies records that refer to the same real-world entity. Language models can be adapted to this task through bi-encoder, cross-encoder, and generative matcher architectures. However, prior studies often conflate matcher architecture with differences in model backbone, model variant(reflecting different pretraining objectives), and model size, making it difficult to isolate the sources of performance gains. We address this issue through a controlled factorial study spanning three matcher architectures, three model variants and three model sizes from the Qwen3 family, and nine datasets, totaling 1,215 fine-tuning runs. We also evaluate cross-dataset transferability and computational cost. Our results show that model variant is critical for bi-encoders: embedding-oriented variants provide stronger initialization and more favorable representation geometry predictive of downstream matching performance. Cross-encoders retain a consistent advantage over bi-encoders because they jointly encode record pairs rather than representing each record independently, although larger models partially narrow this gap. Generative matchers do not universally outperform cross-encoders. Instead, their advantages concentrate under distribution shift, including subtle unseen differences in record schemas and cross-dataset transfer. We further find that larger models rely more heavily on shortcut learning and therefore do not necessarily perform better. These findings clarify the factors underlying performance differences across matcher architectures and motivate future research and benchmark designs that better disentangle architectural choices from model-level factors while explicitly evaluating distribution shift and cross-dataset transferability. We release our experimental results, code, training scripts, and evaluation data at https://github.com/Jantory/llm-trained-matcher.

  • 5 authors
·
Jul 26

Multi-level Matching Network for Multimodal Entity Linking

Multimodal entity linking (MEL) aims to link ambiguous mentions within multimodal contexts to corresponding entities in a multimodal knowledge base. Most existing approaches to MEL are based on representation learning or vision-and-language pre-training mechanisms for exploring the complementary effect among multiple modalities. However, these methods suffer from two limitations. On the one hand, they overlook the possibility of considering negative samples from the same modality. On the other hand, they lack mechanisms to capture bidirectional cross-modal interaction. To address these issues, we propose a Multi-level Matching network for Multimodal Entity Linking (M3EL). Specifically, M3EL is composed of three different modules: (i) a Multimodal Feature Extraction module, which extracts modality-specific representations with a multimodal encoder and introduces an intra-modal contrastive learning sub-module to obtain better discriminative embeddings based on uni-modal differences; (ii) an Intra-modal Matching Network module, which contains two levels of matching granularity: Coarse-grained Global-to-Global and Fine-grained Global-to-Local, to achieve local and global level intra-modal interaction; (iii) a Cross-modal Matching Network module, which applies bidirectional strategies, Textual-to-Visual and Visual-to-Textual matching, to implement bidirectional cross-modal interaction. Extensive experiments conducted on WikiMEL, RichpediaMEL, and WikiDiverse datasets demonstrate the outstanding performance of M3EL when compared to the state-of-the-art baselines.

  • 4 authors
·
Dec 11, 2024

RConE: Rough Cone Embedding for Multi-Hop Logical Query Answering on Multi-Modal Knowledge Graphs

Multi-hop query answering over a Knowledge Graph (KG) involves traversing one or more hops from the start node to answer a query. Path-based and logic-based methods are state-of-the-art for multi-hop question answering. The former is used in link prediction tasks. The latter is for answering complex logical queries. The logical multi-hop querying technique embeds the KG and queries in the same embedding space. The existing work incorporates First Order Logic (FOL) operators, such as conjunction (wedge), disjunction (vee), and negation (neg), in queries. Though current models have most of the building blocks to execute the FOL queries, they cannot use the dense information of multi-modal entities in the case of Multi-Modal Knowledge Graphs (MMKGs). We propose RConE, an embedding method to capture the multi-modal information needed to answer a query. The model first shortlists candidate (multi-modal) entities containing the answer. It then finds the solution (sub-entities) within those entities. Several existing works tackle path-based question-answering in MMKGs. However, to our knowledge, we are the first to introduce logical constructs in querying MMKGs and to answer queries that involve sub-entities of multi-modal entities as the answer. Extensive evaluation of four publicly available MMKGs indicates that RConE outperforms the current state-of-the-art.

  • 3 authors
·
Aug 21, 2024

Collaboration of Fusion and Independence: Hypercomplex-driven Robust Multi-Modal Knowledge Graph Completion

Multi-modal knowledge graph completion (MMKGC) aims to discover missing facts in multi-modal knowledge graphs (MMKGs) by leveraging both structural relationships and diverse modality information of entities. Existing MMKGC methods follow two multi-modal paradigms: fusion-based and ensemble-based. Fusion-based methods employ fixed fusion strategies, which inevitably leads to the loss of modality-specific information and a lack of flexibility to adapt to varying modality relevance across contexts. In contrast, ensemble-based methods retain modality independence through dedicated sub-models but struggle to capture the nuanced, context-dependent semantic interplay between modalities. To overcome these dual limitations, we propose a novel MMKGC method M-Hyper, which achieves the coexistence and collaboration of fused and independent modality representations. Our method integrates the strengths of both paradigms, enabling effective cross-modal interactions while maintaining modality-specific information. Inspired by ``quaternion'' algebra, we utilize its four orthogonal bases to represent multiple independent modalities and employ the Hamilton product to efficiently model pair-wise interactions among them. Specifically, we introduce a Fine-grained Entity Representation Factorization (FERF) module and a Robust Relation-aware Modality Fusion (R2MF) module to obtain robust representations for three independent modalities and one fused modality. The resulting four modality representations are then mapped to the four orthogonal bases of a biquaternion (a hypercomplex extension of quaternion) for comprehensive modality interaction. Extensive experiments indicate its state-of-the-art performance, robustness, and computational efficiency.

  • 5 authors
·
Apr 16

Think Before You Link: Rarity, Reasoning, and Retrieval in Multilingual Entity Linking

Multimodal entity linking grounds entity mentions in text and images to knowledge-base entries. These systems degrade on rare entities, but prior work measures rarity primarily through popularity-based metrics such as pageviews. We broaden this view using knowledge-graph structural metrics that capture how well an entity is documented and connected. These metrics identify many rare entities that popularity metrics miss. Across the resulting rare-entity slices, state-of-the-art accuracy drops by 15.4-39.9%, showing that different rarity definitions expose different failure modes. To address these failures, we introduce a simple, training-free framework in which a reasoning-capable vision-language model iteratively searches and reasons over Wikipedia, gathering evidence dynamically. Controlled experiments show that reasoning and retrieval are complementary. Reasoning alone does not significantly improve accuracy on rare entities. Retrieval without reasoning improves rare-entity accuracy but can hurt overall accuracy. Their combination performs best. On MERLIN, a multilingual multimodal entity linking benchmark over five languages (Hindi, Indonesian, Japanese, Tamil, Vietnamese), our best system improves over the state of the art by 6.9% overall and by up to 23.3% on rare-entity slices. We release MERLIN-Rare, rare-entity test slices for targeted evaluation, with our framework.

MAG-SQL: Multi-Agent Generative Approach with Soft Schema Linking and Iterative Sub-SQL Refinement for Text-to-SQL

Recent In-Context Learning based methods have achieved remarkable success in Text-to-SQL task. However, there is still a large gap between the performance of these models and human performance on datasets with complex database schema and difficult questions, such as BIRD. Besides, existing work has neglected to supervise intermediate steps when solving questions iteratively with question decomposition methods, and the schema linking methods used in these works are very rudimentary. To address these issues, we propose MAG-SQL, a multi-agent generative approach with soft schema linking and iterative Sub-SQL refinement. In our framework, an entity-based method with tables' summary is used to select the columns in database, and a novel targets-conditions decomposition method is introduced to decompose those complex questions. Additionally, we build a iterative generating module which includes a Sub-SQL Generator and Sub-SQL Refiner, introducing external oversight for each step of generation. Through a series of ablation studies, the effectiveness of each agent in our framework has been demonstrated. When evaluated on the BIRD benchmark with GPT-4, MAG-SQL achieves an execution accuracy of 61.08\%, compared to the baseline accuracy of 46.35\% for vanilla GPT-4 and the baseline accuracy of 57.56\% for MAC-SQL. Besides, our approach makes similar progress on Spider.

  • 3 authors
·
Aug 15, 2024

StructGen: Disambiguating Multi-Reference Image Generation via Structured Context Modeling

Multi-reference image generation aims to synthesize images by integrating attributes from multiple reference images under textual instructions. As the number of references increases, the task necessitates complex semantic comprehension, such as correctly associating attributes with the intended subjects and planing out coherent spatial arrangement between subjects and their environments. Existing approaches, which rely solely on natural language instruction, often fail to capture these complex intentions precisely, leading to semantic misalignment and inconsistent generation. We identify two key factors behind these limitations: natural language instructions are often verbose and ambiguous, and high-quality multi-reference data is scarce. To address these issues, we propose StructGen, which employs a structured, dictionary-like format to encode multiple reference images, thereby enabling explicit and unambiguous specification of generation intentions. To support this design, we construct a structured dataset based on high-quality real images and develop a corresponding training framework, along with a dedicated benchmark for challenging multi-reference scenarios. Extensive experiments on both public benchmarks and our proposed benchmark demonstrate that StructGen consistently outperforms existing methods on both semantic alignment and detailed reference-generation consistency, especially under complex instructions with multiple references. The code is available at https://jianingpeng0382.github.io/StructGen/

  • 9 authors
·
Jul 19

AMELI: Enhancing Multimodal Entity Linking with Fine-Grained Attributes

We propose attribute-aware multimodal entity linking, where the input consists of a mention described with a text paragraph and images, and the goal is to predict the corresponding target entity from a multimodal knowledge base (KB) where each entity is also accompanied by a text description, visual images, and a collection of attributes that present the meta-information of the entity in a structured format. To facilitate this research endeavor, we construct AMELI, encompassing a new multimodal entity linking benchmark dataset that contains 16,735 mentions described in text and associated with 30,472 images, and a multimodal knowledge base that covers 34,690 entities along with 177,873 entity images and 798,216 attributes. To establish baseline performance on AMELI, we experiment with several state-of-the-art architectures for multimodal entity linking and further propose a new approach that incorporates attributes of entities into disambiguation. Experimental results and extensive qualitative analysis demonstrate that extracting and understanding the attributes of mentions from their text descriptions and visual images play a vital role in multimodal entity linking. To the best of our knowledge, we are the first to integrate attributes in the multimodal entity linking task. The programs, model checkpoints, and the dataset are publicly available at https://github.com/VT-NLP/Ameli.

  • 8 authors
·
May 24, 2023

Stuck on Shuffle: On Attribute-Object Binding in Vision-Language Models

Retrieval is a fundamental task in multimodal systems: given an image or text query, the goal is to find the most relevant images or texts in a collection, often using a shared embedding space. Reliable retrieval requires these embeddings to capture not only which concepts are present, but also how they are composed. One key compositional challenge is attribute--object binding: encoding which attributes belong to which objects. Existing benchmarks provide a limited view of this capability, typically covering a subset of modality pairings, simple two-object swaps, or small attribute sets. Consequently, it remains unclear how robustly current models preserve attribute--object bindings across different modality pairings and more complex settings. We therefore introduce SABER, a controlled benchmark for evaluating attribute--object binding across all four image and text modality pairings, spanning diverse attribute types and scenes with up to ten objects. Evaluating models on SABER reveals substantial binding failures in both CLIP-style dual encoders and recent MLLM-based embedders. These findings motivate us to ask how binding can be improved efficiently. While multimodal supervision may be effective, collecting suitable images is difficult and costly. Text, on the other hand, is well suited to binding supervision: it is cheap to generate, supports a broader range of attributes and enables precisely controlled hard negatives. We thus finetune an MLLM-based embedder exclusively on synthetic attribute-binding text. Despite the absence of image supervision, the gains transfer to cross-modal and image--image retrieval while preserving general multimodal embedding performance. Our model achieves SOTA results on SABER while also improving on negation and instance-retrieval benchmarks, demonstrating broader benefits of our binding-focused supervision.

  • 7 authors
·
Oct 14 2

Consistency-Aware Editing for Entity-level Unlearning in Language Models

Large language models (LLMs) risk retaining sensitive, copyrighted, or harmful information from their training data. Entity-level unlearning addresses this issue by removing all knowledge of a specific entity while preserving the model's overall capabilities. Existing approaches typically rely on full-model fine-tuning or prompt-based interventions, which can be computationally expensive or brittle when handling paraphrased queries. Recently, model editing has emerged as an efficient alternative for updating knowledge in LLMs, offering a promising direction for unlearning. However, existing editing techniques are typically designed for instance-level updates, modifying responses to specific attributes of an entity rather than eliminating all knowledge associated with the entity. In this paper, we investigate how editing techniques can be adapted for effective and efficient entity-level unlearning. To this end, we introduce a novel consistency-aware editing (CAE) framework. CAE aggregates a diverse set of prompts related to a target entity, including its attributes, relations, and adversarial paraphrases. It then jointly learns a low-rank update guided by a consistency regularizer that aligns the editing directions across prompts. This promotes robust and comprehensive forgetting while minimizing interference with unrelated knowledge. We further examine where different entities are stored within the model and how many diverse prompts are needed for successful unlearning. We evaluate CAE on two challenging benchmarks, RWKU and ToFU, and demonstrate that it (i) provides insights into how entity-level knowledge is internally represented and deleted in LLMs, (ii) significantly improves forgetting accuracy and robustness over traditional unlearning and editing baselines, and (iii) enables scalable entity removal using only tens of carefully selected prompts.

  • 6 authors
·
Dec 18, 2025

VecCity: A Taxonomy-guided Library for Map Entity Representation Learning

Electronic maps consist of diverse entities, such as points of interest (POIs), road networks, and land parcels, playing a vital role in applications like ITS and LBS. Map entity representation learning (MapRL) generates versatile and reusable data representations, providing essential tools for efficiently managing and utilizing map entity data. Despite the progress in MapRL, two key challenges constrain further development. First, existing research is fragmented, with models classified by the type of map entity, limiting the reusability of techniques across different tasks. Second, the lack of unified benchmarks makes systematic evaluation and comparison of models difficult. To address these challenges, we propose a novel taxonomy for MapRL that organizes models based on functional module-such as encoders, pre-training tasks, and downstream tasks-rather than by entity type. Building on this taxonomy, we present a taxonomy-driven library, VecCity, which offers easy-to-use interfaces for encoding, pre-training, fine-tuning, and evaluation. The library integrates datasets from nine cities and reproduces 21 mainstream MapRL models, establishing the first standardized benchmarks for the field. VecCity also allows users to modify and extend models through modular components, facilitating seamless experimentation. Our comprehensive experiments cover multiple types of map entities and evaluate 21 VecCity pre-built models across various downstream tasks. Experimental results demonstrate the effectiveness of VecCity in streamlining model development and provide insights into the impact of various components on performance. By promoting modular design and reusability, VecCity offers a unified framework to advance research and innovation in MapRL. The code is available at https://github.com/Bigscity-VecCity/VecCity.

  • 4 authors
·
Oct 31, 2024

Unsupervised Matching of Data and Text

Entity resolution is a widely studied problem with several proposals to match records across relations. Matching textual content is a widespread task in many applications, such as question answering and search. While recent methods achieve promising results for these two tasks, there is no clear solution for the more general problem of matching textual content and structured data. We introduce a framework that supports this new task in an unsupervised setting for any pair of corpora, being relational tables or text documents. Our method builds a fine-grained graph over the content of the corpora and derives word embeddings to represent the objects to match in a low dimensional space. The learned representation enables effective and efficient matching at different granularity, from relational tuples to text sentences and paragraphs. Our flexible framework can exploit pre-trained resources, but it does not depends on their existence and achieves better quality performance in matching content when the vocabulary is domain specific. We also introduce optimizations in the graph creation process with an "expand and compress" approach that first identifies new valid relationships across elements, to improve matching, and then prunes nodes and edges, to reduce the graph size. Experiments on real use cases and public datasets show that our framework produces embeddings that outperform word embeddings and fine-tuned language models both in results' quality and in execution times.

  • 3 authors
·
Dec 16, 2021

DTT: An Example-Driven Tabular Transformer for Joinability by Leveraging Large Language Models

Many organizations rely on data from government and third-party sources, and those sources rarely follow the same data formatting. This introduces challenges in integrating data from multiple sources or aligning external sources with internal databases. Commercial database systems do not offer adequate support for integrating data from heterogeneous sources, and manual integration is both time-consuming and inefficient. State-of-the-art data integration approaches that rely on similarity functions and textual transformations often fail to handle challenging cases where multiple mappings are required, or the mappings go beyond simple textual transformations. In this paper, we study the potentials of deep neural models for transforming tables for joinability. In particular, we cast the problem as a prediction task and develop a framework that leverages large deep-learning language models to transform tabular data from a source formatting to a desired target representation. Our framework can efficiently learn the patterns for mapping a source formatting into an expected target using just a few examples, which can then be used for tasks such as table joining, filling in missing values, and error detection. Compared to state-of-the-art mapping and joining approaches, our framework delivers noticeably more accurate and scalable performance on both real-world and synthetic datasets. Our experimental evaluation also shows that the performance of the proposed framework using our fine-tuned model is at par or better than large language models such as GPT-3, despite the significant difference in size, and that using large language models within our framework improves their performance.

  • 2 authors
·
Mar 12, 2023

Reliability of LLM Judges for Evaluating Entity Alignment

Entity Alignment (EA) identifies equivalent entities across knowledge graphs and is critical for knowledge base integration and ontology merging. Evaluating EA systems at scale requires expensive expert annotation, making systematic assessment across diverse domains practically infeasible. LLM-as-judge evaluation offers a potentially scalable alternative, yet its reliability for structured prediction tasks like EA remains unstudied. We present the first systematic benchmarking study across three frontier models, three datasets, and four EA systems, using perturbation bias diagnostics, meta-evaluation across all dataset-judge-prompt combinations, and counterfactual label-flip tests. We identify anchor bias, a failure mode in which judges invert discrimination when the system's decision label is visible. Label exposure causally collapses judge discrimination (J-ROC-AUC 0.12-0.87), while a label-free protocol recovers near-ceiling capability on distinctive-name datasets (0.93-1.00) and significant recovery on biomedical pairs (0.93-0.95). Counterfactual experiments confirm causality (FSR 53-99%) and reveal a frontier model paradox: stronger judges exhibit greater label sensitivity, not less. A blinded two-annotator human evaluation (102 pairs, Cohen's kappa=0.902) confirms this mechanism directly. We release the first biomedical EA benchmark (MeSH-SNOMED CT, 15K pairs) and a reproducible auditing framework for LLM judge reliability in EA. Code and data are available at https://github.com/vaibhavalakshmiravideshik/llm-as-a-judge-entity-alignment.

  • 2 authors
·
Oct 6

Follow the Entities: A Corpus Map for Agentic Search

Answering questions and completing tasks over large document collections often requires connecting evidence spread across multiple documents, such as a project's approval recorded in one, its requirements in another, and its latest status in a third. Recent LLM agents approach this by iteratively searching the full corpus rather than reading only a fixed set of top-ranked documents. However, when the corpus is exposed only as a flat collection of files, a relevant document gives no indication of how it relates to others, so the agent must rediscover these relationships for every query, often missing complementary evidence while simultaneously consuming substantial additional tokens. To address this, we introduce CorpusMap, a navigation layer that organizes the corpus around its recurring entities, which are identifiable from the documents themselves and can link a single document to many others across sources. Specifically, CorpusMap represents each recurring entity as an Entity Page that aggregates information about it and links to every document that refers to it, forming a graph between entities and documents that the agent can traverse to gather otherwise disconnected evidence. Moreover, since CorpusMap is constructed offline by resolving mentions of the same entity across documents, its links are shared across queries rather than rediscovered repeatedly at inference time. Using 7 different models with 3 benchmark datasets, we show that CorpusMap improves both evidence discovery and answer quality over raw-corpus agentic search while using fewer tokens on average, and further outperforms 4 alternative navigation layers, suggesting that entities serve as effective anchors for navigating large document collections.

microsoft Microsoft
·
Sep 28 1

Evaluating Relational Reasoning in LLMs with REL

Relational reasoning is the ability to infer relations that jointly bind multiple entities, attributes, or variables. This ability is central to scientific reasoning, but existing evaluations of relational reasoning in large language models often focus on structured inputs such as tables, graphs, or synthetic tasks, and do not isolate the difficulty introduced by higher-arity relational binding. We study this problem through the lens of Relational Complexity (RC), which we define as the minimum number of independent entities or operands that must be simultaneously bound to apply a relation. RC provides a principled way to vary reasoning difficulty while controlling for confounders such as input size, vocabulary, and representational choices. Building on RC, we introduce REL, a generative benchmark framework spanning algebra, chemistry, and biology that varies RC within each domain. Across frontier LLMs, performance degrades consistently and monotonically as RC increases, even when the total number of entities is held fixed. This failure mode persists with increased test-time compute and in-context learning, suggesting a limitation tied to the arity of the required relational binding rather than to insufficient inference steps or lack of exposure to examples. Our results identify a regime of higher-arity reasoning in which current models struggle, and motivate re-examining benchmarks through the lens of relational complexity.

  • 5 authors
·
Apr 13

Hierarchical Entity-centric Reinforcement Learning with Factored Subgoal Diffusion

We propose a hierarchical entity-centric framework for offline Goal-Conditioned Reinforcement Learning (GCRL) that combines subgoal decomposition with factored structure to solve long-horizon tasks in domains with multiple entities. Achieving long-horizon goals in complex environments remains a core challenge in Reinforcement Learning (RL). Domains with multiple entities are particularly difficult due to their combinatorial complexity. GCRL facilitates generalization across goals and the use of subgoal structure, but struggles with high-dimensional observations and combinatorial state-spaces, especially under sparse reward. We employ a two-level hierarchy composed of a value-based GCRL agent and a factored subgoal-generating conditional diffusion model. The RL agent and subgoal generator are trained independently and composed post hoc through selective subgoal generation based on the value function, making the approach modular and compatible with existing GCRL algorithms. We introduce new variations to benchmark tasks that highlight the challenges of multi-entity domains, and show that our method consistently boosts performance of the underlying RL agent on image-based long-horizon tasks with sparse rewards, achieving over 150% higher success rates on the hardest task in our suite and generalizing to increasing horizons and numbers of entities. Rollout videos are provided at: https://sites.google.com/view/hecrl

  • 6 authors
·
Feb 2

Knowledge-Rich Self-Supervision for Biomedical Entity Linking

Entity linking faces significant challenges such as prolific variations and prevalent ambiguities, especially in high-value domains with myriad entities. Standard classification approaches suffer from the annotation bottleneck and cannot effectively handle unseen entities. Zero-shot entity linking has emerged as a promising direction for generalizing to new entities, but it still requires example gold entity mentions during training and canonical descriptions for all entities, both of which are rarely available outside of Wikipedia. In this paper, we explore Knowledge-RIch Self-Supervision (tt KRISS) for biomedical entity linking, by leveraging readily available domain knowledge. In training, it generates self-supervised mention examples on unlabeled text using a domain ontology and trains a contextual encoder using contrastive learning. For inference, it samples self-supervised mentions as prototypes for each entity and conducts linking by mapping the test mention to the most similar prototype. Our approach can easily incorporate entity descriptions and gold mention labels if available. We conducted extensive experiments on seven standard datasets spanning biomedical literature and clinical notes. Without using any labeled information, our method produces tt KRISSBERT, a universal entity linker for four million UMLS entities that attains new state of the art, outperforming prior self-supervised methods by as much as 20 absolute points in accuracy.

  • 9 authors
·
Dec 15, 2021

ReBind: Multi-Reference Video Editing via Structured Instructions with Explicit Reference Relationships

Recent diffusion-based video generation models have made significant progress in multi-reference image-conditioned video editing. However, existing methods still struggle to coordinate information from multiple visual sources accurately. We identify a critical deficiency in existing approaches. Existing editing instructions lack explicit reference relationships, and most multimodal large language models (MLLMs) cannot generate them reliably. To address this problem, we propose ReBind, a systematic framework that introduces semantic instructions with embedded reference tokens as the intermediate representation for multi-reference image-conditioned video editing. Our key insight is embedding reference tokens at semantic positions to eliminate ambiguity and establish precise bindings between visual attributes and their sources. We develop ReBind-Instruct, a specialized MLLM that learns to establish explicit bindings between visual attributes and their reference sources through a two-stage progressive scheme for precise reference relationships. We further develop ReBind-Edit, which enables lightweight adaptation of text-to-video models to coordinate multiple references by binding visual attributes to their designated sources. Extensive experiments demonstrate that ReBind substantially outperforms general-purpose MLLMs in instruction quality and achieves state-of-the-art performance among open-source methods on reference image conditioned video editing. Our project webpage: https://rebind-mrv2v.github.io/.

  • 13 authors
·
Jul 15

BioMatrix: Towards a Comprehensive Biological Foundation Model Spanning the Modality Matrix of Sequences, Structures, and Language

We present BioMatrix, the first multimodal foundation model that natively integrates sequences, structures, and natural language for both molecules and proteins within a single decoder-only architecture. Existing biological foundation models pursue native multimodality and broad entity coverage separately: those that fuse multiple modalities under a shared objective remain confined to a single entity type, while those spanning multiple entity types either omit explicit structural modeling or rely on adapter-based designs in which the model cannot natively generate the very modalities it can read. BioMatrix closes this gap by mapping molecular sequences (supporting both SMILES and SELFIES notations), molecular structures, protein sequences, protein structures, and natural language into a shared discrete token space through a unified tokenization scheme, so that all modalities are consumed and produced uniformly under a single next-token prediction objective -- without external encoders, projection adapters, or modality-specific output heads. Built upon the Qwen3 language model (1.7B and 4B), BioMatrix is continually pretrained on 304.4 billion tokens spanning general and domain-specific text, sequence and structure views of molecules and proteins, and cross-modal corpora that interleave biomolecular entities with scientific text and link distinct entities through molecule-protein and protein-protein interaction data. After tuning on a comprehensive suite of downstream applications covering 80 tasks across 6 categories -- encompassing single-entity and multi-entity understanding and generation tasks across and within modalities -- BioMatrix achieves state-of-the-art or competitive performance on 77 out of 80 tasks, demonstrating that a single, natively multimodal generalist model can effectively match or surpass specialized approaches across a wide range of biological tasks.

PEneo: Unifying Line Extraction, Line Grouping, and Entity Linking for End-to-end Document Pair Extraction

Document pair extraction aims to identify key and value entities as well as their relationships from visually-rich documents. Most existing methods divide it into two separate tasks: semantic entity recognition (SER) and relation extraction (RE). However, simply concatenating SER and RE serially can lead to severe error propagation, and it fails to handle cases like multi-line entities in real scenarios. To address these issues, this paper introduces a novel framework, PEneo (Pair Extraction new decoder option), which performs document pair extraction in a unified pipeline, incorporating three concurrent sub-tasks: line extraction, line grouping, and entity linking. This approach alleviates the error accumulation problem and can handle the case of multi-line entities. Furthermore, to better evaluate the model's performance and to facilitate future research on pair extraction, we introduce RFUND, a re-annotated version of the commonly used FUNSD and XFUND datasets, to make them more accurate and cover realistic situations. Experiments on various benchmarks demonstrate PEneo's superiority over previous pipelines, boosting the performance by a large margin (e.g., 19.89%-22.91% F1 score on RFUND-EN) when combined with various backbones like LiLT and LayoutLMv3, showing its effectiveness and generality. Codes and the new annotations will be open to the public.

  • 7 authors
·
Jan 7, 2024

SAMGPT: Text-free Graph Foundation Model for Multi-domain Pre-training and Cross-domain Adaptation

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.

  • 5 authors
·
Feb 7, 2025

Image Anything: Towards Reasoning-coherent and Training-free Multi-modal Image Generation

The multifaceted nature of human perception and comprehension indicates that, when we think, our body can naturally take any combination of senses, a.k.a., modalities and form a beautiful picture in our brain. For example, when we see a cattery and simultaneously perceive the cat's purring sound, our brain can construct a picture of a cat in the cattery. Intuitively, generative AI models should hold the versatility of humans and be capable of generating images from any combination of modalities efficiently and collaboratively. This paper presents ImgAny, a novel end-to-end multi-modal generative model that can mimic human reasoning and generate high-quality images. Our method serves as the first attempt in its capacity of efficiently and flexibly taking any combination of seven modalities, ranging from language, audio to vision modalities, including image, point cloud, thermal, depth, and event data. Our key idea is inspired by human-level cognitive processes and involves the integration and harmonization of multiple input modalities at both the entity and attribute levels without specific tuning across modalities. Accordingly, our method brings two novel training-free technical branches: 1) Entity Fusion Branch ensures the coherence between inputs and outputs. It extracts entity features from the multi-modal representations powered by our specially constructed entity knowledge graph; 2) Attribute Fusion Branch adeptly preserves and processes the attributes. It efficiently amalgamates distinct attributes from diverse input modalities via our proposed attribute knowledge graph. Lastly, the entity and attribute features are adaptively fused as the conditional inputs to the pre-trained Stable Diffusion model for image generation. Extensive experiments under diverse modality combinations demonstrate its exceptional capability for visual content creation.

  • 3 authors
·
Jan 31, 2024

Reverse Region-to-Entity Annotation for Pixel-Level Visual Entity Linking

Visual Entity Linking (VEL) is a crucial task for achieving fine-grained visual understanding, matching objects within images (visual mentions) to entities in a knowledge base. Previous VEL tasks rely on textual inputs, but writing queries for complex scenes can be challenging. Visual inputs like clicks or bounding boxes offer a more convenient alternative. Therefore, we propose a new task, Pixel-Level Visual Entity Linking (PL-VEL), which uses pixel masks from visual inputs to refer to objects, supplementing reference methods for VEL. To facilitate research on this task, we have constructed the MaskOVEN-Wiki dataset through an entirely automatic reverse region-entity annotation framework. This dataset contains over 5 million annotations aligning pixel-level regions with entity-level labels, which will advance visual understanding towards fine-grained. Moreover, as pixel masks correspond to semantic regions in an image, we enhance previous patch-interacted attention with region-interacted attention by a visual semantic tokenization approach. Manual evaluation results indicate that the reverse annotation framework achieved a 94.8% annotation success rate. Experimental results show that models trained on this dataset improved accuracy by 18 points compared to zero-shot models. Additionally, the semantic tokenization method achieved a 5-point accuracy improvement over the trained baseline.

  • 9 authors
·
Dec 18, 2024

EntityBench: Towards Entity-Consistent Long-Range Multi-Shot Video Generation

Multi-shot video generation extends single-shot generation to coherent visual narratives, yet maintaining consistent characters, objects, and locations across shots remains a challenge over long sequences. Existing evaluations typically use independently generated prompt sets with limited entity coverage and simple consistency metrics, making standardized comparison difficult. We introduce EntityBench, a benchmark of 140 episodes (2,491 shots) derived from real narrative media, with explicit per-shot entity schedules tracking characters, objects, and locations simultaneously across easy / medium / hard tiers of up to 50 shots, 13 cross-shot characters, 8 cross-shot locations, 22 cross-shot objects, and recurrence gaps spanning up to 48 shots. It is paired with a three-pillar evaluation suite that disentangles intra-shot quality, prompt-following alignment, and cross-shot consistency, with a fidelity gate that admits only accurate entity appearances into cross-shot scoring. As a baseline, we propose EntityMem, a memory-augmented generation system that stores verified per-entity visual references in a persistent memory bank before generation begins. Experiments show that cross-shot entity consistency degrades sharply with recurrence distance in existing methods, and that explicit per-entity memory yields the highest character fidelity (Cohen's d = +2.33) and presence among methods evaluated. Code and data are available at https://github.com/Catherine-R-He/EntityBench/.

  • 4 authors
·
May 13

Structured Context Engineering for File-Native Agentic Systems: Evaluating Schema Accuracy, Format Effectiveness, and Multi-File Navigation at Scale

Large Language Model agents increasingly operate external systems through programmatic interfaces, yet practitioners lack empirical guidance on how to structure the context these agents consume. Using SQL generation as a proxy for programmatic agent operations, we present a systematic study of context engineering for structured data, comprising 9,649 experiments across 11 models, 4 formats (YAML, Markdown, JSON, Token-Oriented Object Notation [TOON]), and schemas ranging from 10 to 10,000 tables. Our findings challenge common assumptions. First, architecture choice is model-dependent: file-based context retrieval improves accuracy for frontier-tier models (Claude, GPT, Gemini; +2.7%, p=0.029) but shows mixed results for open source models (aggregate -7.7%, p<0.001), with deficits varying substantially by model. Second, format does not significantly affect aggregate accuracy (chi-squared=2.45, p=0.484), though individual models, particularly open source, exhibit format-specific sensitivities. Third, model capability is the dominant factor, with a 21 percentage point accuracy gap between frontier and open source tiers that dwarfs any format or architecture effect. Fourth, file-native agents scale to 10,000 tables through domain-partitioned schemas while maintaining high navigation accuracy. Fifth, file size does not predict runtime efficiency: compact or novel formats can incur a token overhead driven by grep output density and pattern unfamiliarity, with the magnitude depending on model capability. These findings provide practitioners with evidence-based guidance for deploying LLM agents on structured systems, demonstrating that architectural decisions should be tailored to model capability rather than assuming universal best practices.

  • 1 authors
·
Feb 5

Mixing Mechanisms: How Language Models Retrieve Bound Entities In-Context

A key component of in-context reasoning is the ability of language models (LMs) to bind entities for later retrieval. For example, an LM might represent "Ann loves pie" by binding "Ann" to "pie", allowing it to later retrieve "Ann" when asked "Who loves pie?" Prior research on short lists of bound entities found strong evidence that LMs implement such retrieval via a positional mechanism, where "Ann" is retrieved based on its position in context. In this work, we find that this mechanism generalizes poorly to more complex settings; as the number of bound entities in context increases, the positional mechanism becomes noisy and unreliable in middle positions. To compensate for this, we find that LMs supplement the positional mechanism with a lexical mechanism (retrieving "Ann" using its bound counterpart "pie") and a reflexive mechanism (retrieving "Ann" through a direct pointer). Through extensive experiments on nine models and ten binding tasks, we uncover a consistent pattern in how LMs mix these mechanisms to drive model behavior. We leverage these insights to develop a causal model combining all three mechanisms that estimates next token distributions with 95% agreement. Finally, we show that our model generalizes to substantially longer inputs of open-ended text interleaved with entity groups, further demonstrating the robustness of our findings in more natural settings. Overall, our study establishes a more complete picture of how LMs bind and retrieve entities in-context.

tau Tel Aviv University
·
Oct 7, 2025 2

Matching Table Metadata with Business Glossaries Using Large Language Models

Enterprises often own large collections of structured data in the form of large databases or an enterprise data lake. Such data collections come with limited metadata and strict access policies that could limit access to the data contents and, therefore, limit the application of classic retrieval and analysis solutions. As a result, there is a need for solutions that can effectively utilize the available metadata. In this paper, we study the problem of matching table metadata to a business glossary containing data labels and descriptions. The resulting matching enables the use of an available or curated business glossary for retrieval and analysis without or before requesting access to the data contents. One solution to this problem is to use manually-defined rules or similarity measures on column names and glossary descriptions (or their vector embeddings) to find the closest match. However, such approaches need to be tuned through manual labeling and cannot handle many business glossaries that contain a combination of simple as well as complex and long descriptions. In this work, we leverage the power of large language models (LLMs) to design generic matching methods that do not require manual tuning and can identify complex relations between column names and glossaries. We propose methods that utilize LLMs in two ways: a) by generating additional context for column names that can aid with matching b) by using LLMs to directly infer if there is a relation between column names and glossary descriptions. Our preliminary experimental results show the effectiveness of our proposed methods.

  • 6 authors
·
Sep 7, 2023 2

Multimodal Graph Learning for Generative Tasks

Multimodal learning combines multiple data modalities, broadening the types and complexity of data our models can utilize: for example, from plain text to image-caption pairs. Most multimodal learning algorithms focus on modeling simple one-to-one pairs of data from two modalities, such as image-caption pairs, or audio-text pairs. However, in most real-world settings, entities of different modalities interact with each other in more complex and multifaceted ways, going beyond one-to-one mappings. We propose to represent these complex relationships as graphs, allowing us to capture data with any number of modalities, and with complex relationships between modalities that can flexibly vary from one sample to another. Toward this goal, we propose Multimodal Graph Learning (MMGL), a general and systematic framework for capturing information from multiple multimodal neighbors with relational structures among them. In particular, we focus on MMGL for generative tasks, building upon pretrained Language Models (LMs), aiming to augment their text generation with multimodal neighbor contexts. We study three research questions raised by MMGL: (1) how can we infuse multiple neighbor information into the pretrained LMs, while avoiding scalability issues? (2) how can we infuse the graph structure information among multimodal neighbors into the LMs? and (3) how can we finetune the pretrained LMs to learn from the neighbor context in a parameter-efficient manner? We conduct extensive experiments to answer these three questions on MMGL and analyze the empirical results to pave the way for future MMGL research.

  • 4 authors
·
Oct 11, 2023

XBridge: Entity-Grounded Latent Bridge for Heterogeneous LLM Communication

Heterogeneous multi-agent LLM systems, where agents are powered by different model families, can outperform homogeneous configurations by reducing redundant reasoning patterns. Yet existing communication protocols either operate through text, discarding the sender's internal representations, or require architectural homogeneity for latent-level transfer. We identify the entity grounding problem in cross-architecture communication: cross-attention bridges that transfer continuous representations across different LLM families suffer from rare-token compression collapse, where entity identity is lost in the continuous bottleneck (bridge-only F1 ~30%). We propose XBRIDGE, a decode-free communication protocol that addresses this through two mechanisms. Lexical Anchor Mapping (LAM) maps the sender's original context tokens to the receiver's vocabulary, providing discrete entity anchors. A Latent Enrichment Bridge (LEB) lets the receiver query the sender's hidden states for contextual enrichment. The entity anchors ground the bridge's contextual signals to specific entities through the receiver's own self-attention. Across three model families (Llama, Qwen, and Mistral), seven benchmarks, and both communication directions, XBRIDGE outperforms text-based communication on all seven tasks for each model pair while achieving 11x lower latency, and in a same-architecture setting it also exceeds a KV-sharing baseline on six of seven tasks. LEB requires only 264M trainable parameters (3.8% of the receiver), is trained on a small balanced sample set, and adds negligible inference overhead.

  • 6 authors
·
Aug 11

Cost-Efficient RAG for Entity Matching with LLMs: A Blocking-based Batch Processing Framework

Large language models (LLMs) offer a compelling approach to entity matching (EM) in label-scarce settings, yet their matching quality is sensitive to records with ambiguous or sparse attributes due to the absence of external factual grounding. Retrieval-augmented generation (RAG) directly addresses this grounding gap by retrieving and injecting relevant external knowledge. However, naively applying RAG to large-scale EM is expensive due to per-pair retrieval calls over large knowledge graphs (KGs) and the increase in input tokens caused by enriching prompts with retrieved contextual knowledge. To address the above limitation, we introduce a CE-RAG4EM (Cost-Efficient RAG for Entity Matching) framework that reduces overhead through blocking-based batch retrieval and generation. We investigate the benefits of this framework through a systematic analysis of RAG systems for entity matching, focusing on blocking-aware batch optimizations and retrieval granularity. Extensive experiments on nine widely used real-world entity matching benchmark datasets show that CE-RAG4EM under a zero-shot setting achieves comparable or improved matching quality while substantially reducing end-to-end overhead. The results demonstrate that our CE-RAG4EM closes the knowledge grounding gap of the LLM-EM baseline and yields significant improvements in F1 scores on datasets with ambiguous or numerically sparse attributes, while its batch retrieval and inference substantially reduce the overhead and maintain competitive matching quality compared to naive RAG4EM. Our analysis identifies clear performance-overhead trade-offs across blocking-based batch sizes and retrieval granularity, showing how matching quality and computational cost shift with each design choice. These findings offer concrete guidance for building scalable, efficient RAG systems for entity matching that balance accuracy and cost.

  • 5 authors
·
Oct 14 3

Hydra: Structured Cross-Source Enhanced Large Language Model Reasoning

Retrieval-augmented generation (RAG) enhances large language models (LLMs) by incorporating external knowledge. Current hybrid RAG system retrieves evidence from both knowledge graphs (KGs) and text documents to support LLM reasoning. However, it faces challenges like handling multi-hop reasoning, multi-entity questions, multi-source verification, and effective graph utilization. To address these limitations, we present Hydra, a training-free framework that unifies graph topology, document semantics, and source reliability to support deep, faithful reasoning in LLMs. Hydra handles multi-hop and multi-entity problems through agent-driven exploration that combines structured and unstructured retrieval, increasing both diversity and precision of evidence. To tackle multi-source verification, Hydra uses a tri-factor cross-source verification (source trustworthiness assessment, cross-source corroboration, and entity-path alignment), to balance topic relevance with cross-modal agreement. By leveraging graph structure, Hydra fuses heterogeneous sources, guides efficient exploration, and prunes noise early. Comprehensive experiments on seven benchmark datasets show that Hydra achieves overall state-of-the-art results on all benchmarks with GPT-3.5, outperforming the strong hybrid baseline ToG-2 by an average of 20.3% and up to 30.1%. Furthermore, Hydra enables smaller models (e.g., Llama-3.1-8B) to achieve reasoning performance comparable to that of GPT-4-Turbo.

  • 7 authors
·
May 23, 2025

AtomicRAG: Atom-Entity Graphs for Retrieval-Augmented Generation

Recent GraphRAG methods integrate graph structures into text indexing and retrieval, using knowledge graph triples to connect text chunks, thereby improving retrieval coverage and precision. However, we observe that treating text chunks as the basic unit of knowledge representation rigidly groups multiple atomic facts together, limiting the flexibility and adaptability needed to support diverse retrieval scenarios. Additionally, triple-based entity linking is sensitive to relation-extraction errors, which can lead to missing or incorrect reasoning paths and ultimately hurt retrieval accuracy. To address these issues, we propose the Atom-Entity Graph, a more precise and reliable architecture for knowledge representation and indexing. In our approach, knowledge is stored as knowledge atoms, namely individual, self-contained units of factual information, rather than coarse-grained text chunks. This allows knowledge elements to be flexibly reassembled without mutual interference, thereby enabling seamless alignment with diverse query perspectives. Edges between entities simply indicate whether a relationship exists. By combining personalized PageRank with relevance-based filtering, we maintain accurate entity connections and improve the reliability of reasoning. Theoretical analysis and experiments on five public benchmarks show that the proposed AtomicRAG algorithm outperforms strong RAG baselines in retrieval accuracy and reasoning robustness. Code: https://github.com/7HHHHH/AtomicRAG.

  • 8 authors
·
Feb 9

MACRO: Advancing Multi-Reference Image Generation with Structured Long-Context Data

Generating images conditioned on multiple visual references is critical for real-world applications such as multi-subject composition, narrative illustration, and novel view synthesis, yet current models suffer from severe performance degradation as the number of input references grows. We identify the root cause as a fundamental data bottleneck: existing datasets are dominated by single- or few-reference pairs and lack the structured, long-context supervision needed to learn dense inter-reference dependencies. To address this, we introduce MacroData, a large-scale dataset of 400K samples, each containing up to 10 reference images, systematically organized across four complementary dimensions -- Customization, Illustration, Spatial reasoning, and Temporal dynamics -- to provide comprehensive coverage of the multi-reference generation space. Recognizing the concurrent absence of standardized evaluation protocols, we further propose MacroBench, a benchmark of 4,000 samples that assesses generative coherence across graded task dimensions and input scales. Extensive experiments show that fine-tuning on MacroData yields substantial improvements in multi-reference generation, and ablation studies further reveal synergistic benefits of cross-task co-training and effective strategies for handling long-context complexity. The dataset and benchmark will be publicly released.

AutoRef: Harness Optimization for Agentic Multi-Reference Image Generation

Recent image generation models can take multiple reference images as input and combine them into a new image. However, multi-reference image generation remains challenging: models may omit or duplicate subjects from the references, or produce images in which multiple subjects appear unnaturally pasted. Recent work has proposed image generation agents that combine image generation models, reasoning models, and a harness, which is an executable program that specifies how reference images are interpreted, how generation is performed, how outputs are diagnosed, and how the final image is selected. In multi-reference generation, however, references play different roles and outputs must satisfy many criteria at once, such as fidelity to each reference and the naturalness of the whole image, so many parts of the harness could be improved, from how references are processed to how outputs are diagnosed. This makes it hard to predict which changes will improve performance and by how much, and good harnesses difficult to design by hand; indeed, human-written harnesses vary widely in performance. We therefore propose AutoRef, which optimizes the harness automatically while keeping both models frozen: a coding agent iteratively rewrites the harness code. AutoRef separates the tasks whose feedback informs proposals from the tasks used to select candidates, and continues the search from a beam of the top-ranked harnesses on the selection tasks. Using this procedure, we discover AutoRef-Harness, which improves the open-weight FLUX.2 [klein] 4B from 5.72 to 7.37 on held-out four-reference tasks of the MultiBanana benchmark, matching or exceeding proprietary models including Nano Banana Pro and GPT-Image-1.5. Without re-optimization, the same harness also improves results when the generator, number of references, benchmark, evaluator, or reasoning model differs from those used in the search.

  • 6 authors
·
Sep 27 1

Towards Robust Multi-Modal Reasoning via Model Selection

The reasoning capabilities of LLM (Large Language Model) are widely acknowledged in recent research, inspiring studies on tool learning and autonomous agents. LLM serves as the "brain" of the agent, orchestrating multiple tools for collaborative multi-step task solving. Unlike methods invoking tools like calculators or weather APIs for straightforward tasks, multi-modal agents excel by integrating diverse AI models for complex challenges. However, current multi-modal agents neglect the significance of model selection: they primarily focus on the planning and execution phases, and will only invoke predefined task-specific models for each subtask, making the execution fragile. Meanwhile, other traditional model selection methods are either incompatible with or suboptimal for the multi-modal agent scenarios, due to ignorance of dependencies among subtasks arising by multi-step reasoning. To this end, we identify the key challenges therein and propose the M^3 framework as a plug-in with negligible runtime overhead at test-time. This framework improves model selection and bolsters the robustness of multi-modal agents in multi-step reasoning. In the absence of suitable benchmarks, we create MS-GQA, a new dataset specifically designed to investigate the model selection challenge in multi-modal agents. Our experiments reveal that our framework enables dynamic model selection, considering both user inputs and subtask dependencies, thereby robustifying the overall reasoning process. Our code and benchmark: https://github.com/LINs-lab/M3.

  • 4 authors
·
Oct 12, 2023

Cog-RAG: Cognitive-Inspired Dual-Hypergraph with Theme Alignment Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) enhances the response quality and domain-specific performance of large language models (LLMs) by incorporating external knowledge to combat hallucinations. In recent research, graph structures have been integrated into RAG to enhance the capture of semantic relations between entities. However, it primarily focuses on low-order pairwise entity relations, limiting the high-order associations among multiple entities. Hypergraph-enhanced approaches address this limitation by modeling multi-entity interactions via hyperedges, but they are typically constrained to inter-chunk entity-level representations, overlooking the global thematic organization and alignment across chunks. Drawing inspiration from the top-down cognitive process of human reasoning, we propose a theme-aligned dual-hypergraph RAG framework (Cog-RAG) that uses a theme hypergraph to capture inter-chunk thematic structure and an entity hypergraph to model high-order semantic relations. Furthermore, we design a cognitive-inspired two-stage retrieval strategy that first activates query-relevant thematic content from the theme hypergraph, and then guides fine-grained recall and diffusion in the entity hypergraph, achieving semantic alignment and consistent generation from global themes to local details. Our extensive experiments demonstrate that Cog-RAG significantly outperforms existing state-of-the-art baseline approaches.

  • 8 authors
·
Nov 17, 2025

Name Tagging Under Domain Shift via Metric Learning for Life Sciences

Name tagging is a key component of Information Extraction (IE), particularly in scientific domains such as biomedicine and chemistry, where large language models (LLMs), e.g., ChatGPT, fall short. We investigate the applicability of transfer learning for enhancing a name tagging model trained in the biomedical domain (the source domain) to be used in the chemical domain (the target domain). A common practice for training such a model in a few-shot learning setting is to pretrain the model on the labeled source data, and then, to finetune it on a hand-full of labeled target examples. In our experiments we observed that such a model is prone to mis-labeling the source entities, which can often appear in the text, as the target entities. To alleviate this problem, we propose a model to transfer the knowledge from the source domain to the target domain, however, at the same time, to project the source entities and target entities into separate regions of the feature space. This diminishes the risk of mis-labeling the source entities as the target entities. Our model consists of two stages: 1) entity grouping in the source domain, which incorporates knowledge from annotated events to establish relations between entities, and 2) entity discrimination in the target domain, which relies on pseudo labeling and contrastive learning to enhance discrimination between the entities in the two domains. We carry out our extensive experiments across three source and three target datasets, and demonstrate that our method outperforms the baselines, in some scenarios by 5\% absolute value.

  • 4 authors
·
Jan 18, 2024

EntityCS: Improving Zero-Shot Cross-lingual Transfer with Entity-Centric Code Switching

Accurate alignment between languages is fundamental for improving cross-lingual pre-trained language models (XLMs). Motivated by the natural phenomenon of code-switching (CS) in multilingual speakers, CS has been used as an effective data augmentation method that offers language alignment at the word- or phrase-level, in contrast to sentence-level via parallel instances. Existing approaches either use dictionaries or parallel sentences with word alignment to generate CS data by randomly switching words in a sentence. However, such methods can be suboptimal as dictionaries disregard semantics, and syntax might become invalid after random word switching. In this work, we propose EntityCS, a method that focuses on Entity-level Code-Switching to capture fine-grained cross-lingual semantics without corrupting syntax. We use Wikidata and English Wikipedia to construct an entity-centric CS corpus by switching entities to their counterparts in other languages. We further propose entity-oriented masking strategies during intermediate model training on the EntityCS corpus for improving entity prediction. Evaluation of the trained models on four entity-centric downstream tasks shows consistent improvements over the baseline with a notable increase of 10% in Fact Retrieval. We release the corpus and models to assist research on code-switching and enriching XLMs with external knowledge.

  • 3 authors
·
Oct 22, 2022

Neural Production Systems: Learning Rule-Governed Visual Dynamics

Visual environments are structured, consisting of distinct objects or entities. These entities have properties -- both visible and latent -- that determine the manner in which they interact with one another. To partition images into entities, deep-learning researchers have proposed structural inductive biases such as slot-based architectures. To model interactions among entities, equivariant graph neural nets (GNNs) are used, but these are not particularly well suited to the task for two reasons. First, GNNs do not predispose interactions to be sparse, as relationships among independent entities are likely to be. Second, GNNs do not factorize knowledge about interactions in an entity-conditional manner. As an alternative, we take inspiration from cognitive science and resurrect a classic approach, production systems, which consist of a set of rule templates that are applied by binding placeholder variables in the rules to specific entities. Rules are scored on their match to entities, and the best fitting rules are applied to update entity properties. In a series of experiments, we demonstrate that this architecture achieves a flexible, dynamic flow of control and serves to factorize entity-specific and rule-based information. This disentangling of knowledge achieves robust future-state prediction in rich visual environments, outperforming state-of-the-art methods using GNNs, and allows for the extrapolation from simple (few object) environments to more complex environments.

  • 8 authors
·
Mar 2, 2021

Fine-Grained Entity Typing for Domain Independent Entity Linking

Neural entity linking models are very powerful, but run the risk of overfitting to the domain they are trained in. For this problem, a domain is characterized not just by genre of text but even by factors as specific as the particular distribution of entities, as neural models tend to overfit by memorizing properties of frequent entities in a dataset. We tackle the problem of building robust entity linking models that generalize effectively and do not rely on labeled entity linking data with a specific entity distribution. Rather than predicting entities directly, our approach models fine-grained entity properties, which can help disambiguate between even closely related entities. We derive a large inventory of types (tens of thousands) from Wikipedia categories, and use hyperlinked mentions in Wikipedia to distantly label data and train an entity typing model. At test time, we classify a mention with this typing model and use soft type predictions to link the mention to the most similar candidate entity. We evaluate our entity linking system on the CoNLL-YAGO dataset (Hoffart et al., 2011) and show that our approach outperforms prior domain-independent entity linking systems. We also test our approach in a harder setting derived from the WikilinksNED dataset (Eshel et al., 2017) where all the mention-entity pairs are unseen during test time. Results indicate that our approach generalizes better than a state-of-the-art neural model on the dataset.

  • 2 authors
·
Sep 12, 2019

Linking Datasets on Organizations Using Half A Billion Open Collaborated Records

Scholars studying organizations often work with multiple datasets lacking shared unique identifiers or covariates. In such situations, researchers may turn to approximate string matching methods to combine datasets. String matching, although useful, faces fundamental challenges. Even when two strings appear similar to humans, fuzzy matching often does not work because it fails to adapt to the informativeness of the character combinations presented. Worse, many entities have multiple names that are dissimilar (e.g., "Fannie Mae" and "Federal National Mortgage Association"), a case where string matching has little hope of succeeding. This paper introduces data from a prominent employment-related networking site (LinkedIn) as a tool to address these problems. We propose interconnected approaches to leveraging the massive amount of information from LinkedIn regarding organizational name-to-name links. The first approach builds a machine learning model for predicting matches from character strings, treating the trillions of user-contributed organizational name pairs as a training corpus: this approach constructs a string matching metric that explicitly maximizes match probabilities. A second approach identifies relationships between organization names using network representations of the LinkedIn data. A third approach combines the first and second. We document substantial improvements over fuzzy matching in applications, making all methods accessible in open-source software ("LinkOrgs").

JerzakLabs Jerzak Labs
·
Feb 5, 2023 1

TaSR-RAG: Taxonomy-guided Structured Reasoning for Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) helps large language models (LLMs) answer knowledge-intensive and time-sensitive questions by conditioning generation on external evidence. However, most RAG systems still retrieve unstructured chunks and rely on one-shot generation, which often yields redundant context, low information density, and brittle multi-hop reasoning. While structured RAG pipelines can improve grounding, they typically require costly and error-prone graph construction or impose rigid entity-centric structures that do not align with the query's reasoning chain. We propose TaSR-RAG, a taxonomy-guided structured reasoning framework for evidence selection. We represent both queries and documents as relational triples, and constrain entity semantics with a lightweight two-level taxonomy to balance generalization and precision. Given a complex question, TaSR-RAG decomposes it into an ordered sequence of triple sub-queries with explicit latent variables, then performs step-wise evidence selection via hybrid triple matching that combines semantic similarity over raw triples with structural consistency over typed triples. By maintaining an explicit entity binding table across steps, TaSR-RAG resolves intermediate variables and reduces entity conflation without explicit graph construction or exhaustive search. Experiments on multiple multi-hop question answering benchmarks show that TaSR-RAG consistently outperforms strong RAG and structured-RAG baselines by up to 14\%, while producing clearer evidence attribution and more faithful reasoning traces.

  • 5 authors
·
Mar 9

XiYan-SQL: A Multi-Generator Ensemble Framework for Text-to-SQL

To tackle the challenges of large language model performance in natural language to SQL tasks, we introduce XiYan-SQL, an innovative framework that employs a multi-generator ensemble strategy to improve candidate generation. We introduce M-Schema, a semi-structured schema representation method designed to enhance the understanding of database structures. To enhance the quality and diversity of generated candidate SQL queries, XiYan-SQL integrates the significant potential of in-context learning (ICL) with the precise control of supervised fine-tuning. On one hand, we propose a series of training strategies to fine-tune models to generate high-quality candidates with diverse preferences. On the other hand, we implement the ICL approach with an example selection method based on named entity recognition to prevent overemphasis on entities. The refiner optimizes each candidate by correcting logical or syntactical errors. To address the challenge of identifying the best candidate, we fine-tune a selection model to distinguish nuances of candidate SQL queries. The experimental results on multiple dialect datasets demonstrate the robustness of XiYan-SQL in addressing challenges across different scenarios. Overall, our proposed XiYan-SQL achieves the state-of-the-art execution accuracy of 89.65% on the Spider test set, 69.86% on SQL-Eval, 41.20% on NL2GQL, and a competitive score of 72.23% on the Bird development benchmark. The proposed framework not only enhances the quality and diversity of SQL queries but also outperforms previous methods.

  • 13 authors
·
Nov 13, 2024

CausalBind: Causal Modeling and Learning for Protein-Molecule Virtual Screening

Protein-molecule virtual screening is increasingly cast as a problem of representation learning in a shared embedding space. Existing methods rely on dense holistic alignment, entangling invariant binding determinants with nuisance correlations and limiting transfer to new targets. It has been noted that binding in protein-molecule systems involves sparse cross-modality interactions: binding is governed by a small contact interface and a few decisive local interactions (e.g., hydrogen bonds, hydrophobic contacts, and salt bridges) rather than the global structures of the protein and molecule. We hypothesize that uncovering and leveraging sparse interaction patterns is critical for generalization beyond the training data, as these patterns are reusable and expected to improve performance across different scenarios. In this paper, we aim to identify and leverage sparse interaction patterns, and verify our hypothesis. Since the training data contain only observed binding pairs, we formalize this prior via a V-structure causal model under Heckman-style selection, and establish three theoretical results: (i) the latent concepts of interacting proteins and molecules are not identifiable without appropriate sparsity constraints; (ii) these concepts and their sparse interactions are component-wise identifiable under structural sparsity conditions; and (iii) a low-rank relaxation of these conditions yields subspace identifiability of the concepts and interactions. Inspired by these principles, we propose CausalBind with three implementation variants. Extensive experiments on DUD-E and LIT-PCBA benchmarks show that all variants consistently outperform strong retrieval baselines, with the largest gains on LIT-PCBA early enrichment, and further generalize to target- and scaffold-level out-of-distribution splits. Code is available at https://github.com/lokali/CausalBind.

  • 3 authors
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Oct 4