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Dec 12

AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.

  • 17 authors
·
May 18 2

ATLANTIC: Structure-Aware Retrieval-Augmented Language Model for Interdisciplinary Science

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

  • 4 authors
·
Nov 20, 2023

Scaling Physical Reasoning with the PHYSICS Dataset

Large Language Models (LLMs) have achieved remarkable progress on advanced reasoning tasks such as mathematics and coding competitions. Meanwhile, physics, despite being both reasoning-intensive and essential to real-world understanding, received limited academic and industrial attention. This paper introduces PHYSICS, a dataset containing 16,568 high-quality physics problems spanning subjects and difficulty levels, to facilitate this issue. Specifically, PHYSICS is curated with exercises from over 100 textbooks through a carefully designed pipeline for quality control. It covers five major physics domains: Mechanics, Electromagnetism, Thermodynamics, Optics, and Modern Physics. It also spans a wide range of difficulty levels, from high school to graduate-level physics courses. To utilize the data for improving and evaluating the model's physical reasoning capabilities, we split the dataset into training and test sets, and provide reasoning paths generated by powerful reasoning models for the training data to facilitate model training. In addition, for the evaluation part, we find that existing evaluation frameworks exhibit biases in aspects such as units, simplification, and precision in physics domain. To balance efficiency and accuracy, we introduce a Rule+Model evaluation framework tailored to physics problems. Our evaluations on current state-of-the-art open-source and proprietary models highlight the limitations of current models in handling physics-related tasks. We hope that our dataset and evaluation methodology will jointly advance the development of LLMs in the field of physics.

  • 12 authors
·
May 21

Efficient Inverted Indexes for Approximate Retrieval over Learned Sparse Representations

Learned sparse representations form an attractive class of contextual embeddings for text retrieval. That is so because they are effective models of relevance and are interpretable by design. Despite their apparent compatibility with inverted indexes, however, retrieval over sparse embeddings remains challenging. That is due to the distributional differences between learned embeddings and term frequency-based lexical models of relevance such as BM25. Recognizing this challenge, a great deal of research has gone into, among other things, designing retrieval algorithms tailored to the properties of learned sparse representations, including approximate retrieval systems. In fact, this task featured prominently in the latest BigANN Challenge at NeurIPS 2023, where approximate algorithms were evaluated on a large benchmark dataset by throughput and recall. In this work, we propose a novel organization of the inverted index that enables fast yet effective approximate retrieval over learned sparse embeddings. Our approach organizes inverted lists into geometrically-cohesive blocks, each equipped with a summary vector. During query processing, we quickly determine if a block must be evaluated using the summaries. As we show experimentally, single-threaded query processing using our method, Seismic, reaches sub-millisecond per-query latency on various sparse embeddings of the MS MARCO dataset while maintaining high recall. Our results indicate that Seismic is one to two orders of magnitude faster than state-of-the-art inverted index-based solutions and further outperforms the winning (graph-based) submissions to the BigANN Challenge by a significant margin.

  • 4 authors
·
Apr 29, 2024

On the Theoretical Limitations of Embedding-Based Retrieval

Vector embeddings have been tasked with an ever-increasing set of retrieval tasks over the years, with a nascent rise in using them for reasoning, instruction-following, coding, and more. These new benchmarks push embeddings to work for any query and any notion of relevance that could be given. While prior works have pointed out theoretical limitations of vector embeddings, there is a common assumption that these difficulties are exclusively due to unrealistic queries, and those that are not can be overcome with better training data and larger models. In this work, we demonstrate that we may encounter these theoretical limitations in realistic settings with extremely simple queries. We connect known results in learning theory, showing that the number of top-k subsets of documents capable of being returned as the result of some query is limited by the dimension of the embedding. We empirically show that this holds true even if we restrict to k=2, and directly optimize on the test set with free parameterized embeddings. We then create a realistic dataset called LIMIT that stress tests models based on these theoretical results, and observe that even state-of-the-art models fail on this dataset despite the simple nature of the task. Our work shows the limits of embedding models under the existing single vector paradigm and calls for future research to develop methods that can resolve this fundamental limitation.

  • 4 authors
·
Aug 28 1

How Does Generative Retrieval Scale to Millions of Passages?

Popularized by the Differentiable Search Index, the emerging paradigm of generative retrieval re-frames the classic information retrieval problem into a sequence-to-sequence modeling task, forgoing external indices and encoding an entire document corpus within a single Transformer. Although many different approaches have been proposed to improve the effectiveness of generative retrieval, they have only been evaluated on document corpora on the order of 100k in size. We conduct the first empirical study of generative retrieval techniques across various corpus scales, ultimately scaling up to the entire MS MARCO passage ranking task with a corpus of 8.8M passages and evaluating model sizes up to 11B parameters. We uncover several findings about scaling generative retrieval to millions of passages; notably, the central importance of using synthetic queries as document representations during indexing, the ineffectiveness of existing proposed architecture modifications when accounting for compute cost, and the limits of naively scaling model parameters with respect to retrieval performance. While we find that generative retrieval is competitive with state-of-the-art dual encoders on small corpora, scaling to millions of passages remains an important and unsolved challenge. We believe these findings will be valuable for the community to clarify the current state of generative retrieval, highlight the unique challenges, and inspire new research directions.

  • 8 authors
·
May 19, 2023

MMDocIR: Benchmarking Multi-Modal Retrieval for Long Documents

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

  • 6 authors
·
Jan 15 2

LexSemBridge: Fine-Grained Dense Representation Enhancement through Token-Aware Embedding Augmentation

As queries in retrieval-augmented generation (RAG) pipelines powered by large language models (LLMs) become increasingly complex and diverse, dense retrieval models have demonstrated strong performance in semantic matching. Nevertheless, they often struggle with fine-grained retrieval tasks, where precise keyword alignment and span-level localization are required, even in cases with high lexical overlap that would intuitively suggest easier retrieval. To systematically evaluate this limitation, we introduce two targeted tasks, keyword retrieval and part-of-passage retrieval, designed to simulate practical fine-grained scenarios. Motivated by these observations, we propose LexSemBridge, a unified framework that enhances dense query representations through fine-grained, input-aware vector modulation. LexSemBridge constructs latent enhancement vectors from input tokens using three paradigms: Statistical (SLR), Learned (LLR), and Contextual (CLR), and integrates them with dense embeddings via element-wise interaction. Theoretically, we show that this modulation preserves the semantic direction while selectively amplifying discriminative dimensions. LexSemBridge operates as a plug-in without modifying the backbone encoder and naturally extends to both text and vision modalities. Extensive experiments across semantic and fine-grained retrieval tasks validate the effectiveness and generality of our approach. All code and models are publicly available at https://github.com/Jasaxion/LexSemBridge/

  • 9 authors
·
Aug 25

U-MARVEL: Unveiling Key Factors for Universal Multimodal Retrieval via Embedding Learning with MLLMs

Universal multimodal retrieval (UMR), which aims to address complex retrieval tasks where both queries and candidates span diverse modalities, has been significantly advanced by the emergence of MLLMs. While state-of-the-art MLLM-based methods in the literature predominantly adopt contrastive learning principles, they often differ in their specific training recipes. Despite their success, the mechanisms underlying their retrieval capabilities remain largely unexplored, potentially resulting in suboptimal performance and limited generalization ability. To address these issues, we present a comprehensive study aimed at uncovering the key factors that drive effective embedding learning for UMR using MLLMs. We begin by implementing a general MLLM-based embedding learning pipeline, and systematically analyze the primary contributors to high-performing universal retrieval systems. Based on this, we explore various aspects of the details in embedding generation and training strategies, including progressive transition, hard negative mining and re-ranker distillation. Notably, our findings reveal that often-overlooked factors can have a substantial impact on model performance. Building on these discoveries, we introduce a unified framework termed U-MARVEL (Universal MultimodAl RetrieVal via Embedding Learning), which outperforms state-of-the-art competitors on the M-BEIR benchmark by a large margin in supervised settings, and also exihibits strong zero-shot performance on several tasks such as composed image retrieval and text-to-video retrieval. These results underscore the generalization potential of our framework across various embedding-based retrieval tasks. Code is available at https://github.com/chaxjli/U-MARVEL

  • 4 authors
·
Jul 20

PhyDetEx: Detecting and Explaining the Physical Plausibility of T2V Models

Driven by the growing capacity and training scale, Text-to-Video (T2V) generation models have recently achieved substantial progress in video quality, length, and instruction-following capability. However, whether these models can understand physics and generate physically plausible videos remains a question. While Vision-Language Models (VLMs) have been widely used as general-purpose evaluators in various applications, they struggle to identify the physically impossible content from generated videos. To investigate this issue, we construct a PID (Physical Implausibility Detection) dataset, which consists of a test split of 500 manually annotated videos and a train split of 2,588 paired videos, where each implausible video is generated by carefully rewriting the caption of its corresponding real-world video to induce T2V models producing physically implausible content. With the constructed dataset, we introduce a lightweight fine-tuning approach, enabling VLMs to not only detect physically implausible events but also generate textual explanations on the violated physical principles. Taking the fine-tuned VLM as a physical plausibility detector and explainer, namely PhyDetEx, we benchmark a series of state-of-the-art T2V models to assess their adherence to physical laws. Our findings show that although recent T2V models have made notable progress toward generating physically plausible content, understanding and adhering to physical laws remains a challenging issue, especially for open-source models. Our dataset, training code, and checkpoints are available at https://github.com/Zeqing-Wang/PhyDetEx{https://github.com/Zeqing-Wang/PhyDetEx}.

  • 3 authors
·
Dec 1

Contrastive Learning and Mixture of Experts Enables Precise Vector Embeddings

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

  • 4 authors
·
Jan 28, 2024

Resources for Brewing BEIR: Reproducible Reference Models and an Official Leaderboard

BEIR is a benchmark dataset for zero-shot evaluation of information retrieval models across 18 different domain/task combinations. In recent years, we have witnessed the growing popularity of a representation learning approach to building retrieval models, typically using pretrained transformers in a supervised setting. This naturally begs the question: How effective are these models when presented with queries and documents that differ from the training data? Examples include searching in different domains (e.g., medical or legal text) and with different types of queries (e.g., keywords vs. well-formed questions). While BEIR was designed to answer these questions, our work addresses two shortcomings that prevent the benchmark from achieving its full potential: First, the sophistication of modern neural methods and the complexity of current software infrastructure create barriers to entry for newcomers. To this end, we provide reproducible reference implementations that cover the two main classes of approaches: learned dense and sparse models. Second, there does not exist a single authoritative nexus for reporting the effectiveness of different models on BEIR, which has led to difficulty in comparing different methods. To remedy this, we present an official self-service BEIR leaderboard that provides fair and consistent comparisons of retrieval models. By addressing both shortcomings, our work facilitates future explorations in a range of interesting research questions that BEIR enables.

  • 6 authors
·
Jun 12, 2023

SAILER: Structure-aware Pre-trained Language Model for Legal Case Retrieval

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

  • 8 authors
·
Apr 22, 2023

MagicLens: Self-Supervised Image Retrieval with Open-Ended Instructions

Image retrieval, i.e., finding desired images given a reference image, inherently encompasses rich, multi-faceted search intents that are difficult to capture solely using image-based measures. Recent work leverages text instructions to allow users to more freely express their search intents. However, existing work primarily focuses on image pairs that are visually similar and/or can be characterized by a small set of pre-defined relations. The core thesis of this paper is that text instructions can enable retrieving images with richer relations beyond visual similarity. To show this, we introduce MagicLens, a series of self-supervised image retrieval models that support open-ended instructions. MagicLens is built on a key novel insight: image pairs that naturally occur on the same web pages contain a wide range of implicit relations (e.g., inside view of), and we can bring those implicit relations explicit by synthesizing instructions via large multimodal models (LMMs) and large language models (LLMs). Trained on 36.7M (query image, instruction, target image) triplets with rich semantic relations mined from the web, MagicLens achieves comparable or better results on eight benchmarks of various image retrieval tasks than prior state-of-the-art (SOTA) methods. Remarkably, it outperforms previous SOTA but with a 50X smaller model size on multiple benchmarks. Additional human analyses on a 1.4M-image unseen corpus further demonstrate the diversity of search intents supported by MagicLens.

  • 8 authors
·
Mar 28, 2024 4

Diverse Beam Search: Decoding Diverse Solutions from Neural Sequence Models

Neural sequence models are widely used to model time-series data. Equally ubiquitous is the usage of beam search (BS) as an approximate inference algorithm to decode output sequences from these models. BS explores the search space in a greedy left-right fashion retaining only the top-B candidates - resulting in sequences that differ only slightly from each other. Producing lists of nearly identical sequences is not only computationally wasteful but also typically fails to capture the inherent ambiguity of complex AI tasks. To overcome this problem, we propose Diverse Beam Search (DBS), an alternative to BS that decodes a list of diverse outputs by optimizing for a diversity-augmented objective. We observe that our method finds better top-1 solutions by controlling for the exploration and exploitation of the search space - implying that DBS is a better search algorithm. Moreover, these gains are achieved with minimal computational or memory over- head as compared to beam search. To demonstrate the broad applicability of our method, we present results on image captioning, machine translation and visual question generation using both standard quantitative metrics and qualitative human studies. Further, we study the role of diversity for image-grounded language generation tasks as the complexity of the image changes. We observe that our method consistently outperforms BS and previously proposed techniques for diverse decoding from neural sequence models.

  • 7 authors
·
Oct 7, 2016

SPIQA: A Dataset for Multimodal Question Answering on Scientific Papers

Seeking answers to questions within long scientific research articles is a crucial area of study that aids readers in quickly addressing their inquiries. However, existing question-answering (QA) datasets based on scientific papers are limited in scale and focus solely on textual content. To address this limitation, we introduce SPIQA (Scientific Paper Image Question Answering), the first large-scale QA dataset specifically designed to interpret complex figures and tables within the context of scientific research articles across various domains of computer science. Leveraging the breadth of expertise and ability of multimodal large language models (MLLMs) to understand figures, we employ automatic and manual curation to create the dataset. We craft an information-seeking task involving multiple images that cover a wide variety of plots, charts, tables, schematic diagrams, and result visualizations. SPIQA comprises 270K questions divided into training, validation, and three different evaluation splits. Through extensive experiments with 12 prominent foundational models, we evaluate the ability of current multimodal systems to comprehend the nuanced aspects of research articles. Additionally, we propose a Chain-of-Thought (CoT) evaluation strategy with in-context retrieval that allows fine-grained, step-by-step assessment and improves model performance. We further explore the upper bounds of performance enhancement with additional textual information, highlighting its promising potential for future research and the dataset's impact on revolutionizing how we interact with scientific literature.

  • 3 authors
·
Jul 12, 2024 3

To Interpolate or not to Interpolate: PRF, Dense and Sparse Retrievers

Current pre-trained language model approaches to information retrieval can be broadly divided into two categories: sparse retrievers (to which belong also non-neural approaches such as bag-of-words methods, e.g., BM25) and dense retrievers. Each of these categories appears to capture different characteristics of relevance. Previous work has investigated how relevance signals from sparse retrievers could be combined with those from dense retrievers via interpolation. Such interpolation would generally lead to higher retrieval effectiveness. In this paper we consider the problem of combining the relevance signals from sparse and dense retrievers in the context of Pseudo Relevance Feedback (PRF). This context poses two key challenges: (1) When should interpolation occur: before, after, or both before and after the PRF process? (2) Which sparse representation should be considered: a zero-shot bag-of-words model (BM25), or a learnt sparse representation? To answer these questions we perform a thorough empirical evaluation considering an effective and scalable neural PRF approach (Vector-PRF), three effective dense retrievers (ANCE, TCTv2, DistillBERT), and one state-of-the-art learnt sparse retriever (uniCOIL). The empirical findings from our experiments suggest that, regardless of sparse representation and dense retriever, interpolation both before and after PRF achieves the highest effectiveness across most datasets and metrics.

  • 7 authors
·
Apr 30, 2022

MatSci-NLP: Evaluating Scientific Language Models on Materials Science Language Tasks Using Text-to-Schema Modeling

We present MatSci-NLP, a natural language benchmark for evaluating the performance of natural language processing (NLP) models on materials science text. We construct the benchmark from publicly available materials science text data to encompass seven different NLP tasks, including conventional NLP tasks like named entity recognition and relation classification, as well as NLP tasks specific to materials science, such as synthesis action retrieval which relates to creating synthesis procedures for materials. We study various BERT-based models pretrained on different scientific text corpora on MatSci-NLP to understand the impact of pretraining strategies on understanding materials science text. Given the scarcity of high-quality annotated data in the materials science domain, we perform our fine-tuning experiments with limited training data to encourage the generalize across MatSci-NLP tasks. Our experiments in this low-resource training setting show that language models pretrained on scientific text outperform BERT trained on general text. MatBERT, a model pretrained specifically on materials science journals, generally performs best for most tasks. Moreover, we propose a unified text-to-schema for multitask learning on \benchmark and compare its performance with traditional fine-tuning methods. In our analysis of different training methods, we find that our proposed text-to-schema methods inspired by question-answering consistently outperform single and multitask NLP fine-tuning methods. The code and datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-ACL23.

  • 3 authors
·
May 14, 2023

Pre-training Tasks for Embedding-based Large-scale Retrieval

We consider the large-scale query-document retrieval problem: given a query (e.g., a question), return the set of relevant documents (e.g., paragraphs containing the answer) from a large document corpus. This problem is often solved in two steps. The retrieval phase first reduces the solution space, returning a subset of candidate documents. The scoring phase then re-ranks the documents. Critically, the retrieval algorithm not only desires high recall but also requires to be highly efficient, returning candidates in time sublinear to the number of documents. Unlike the scoring phase witnessing significant advances recently due to the BERT-style pre-training tasks on cross-attention models, the retrieval phase remains less well studied. Most previous works rely on classic Information Retrieval (IR) methods such as BM-25 (token matching + TF-IDF weights). These models only accept sparse handcrafted features and can not be optimized for different downstream tasks of interest. In this paper, we conduct a comprehensive study on the embedding-based retrieval models. We show that the key ingredient of learning a strong embedding-based Transformer model is the set of pre-training tasks. With adequately designed paragraph-level pre-training tasks, the Transformer models can remarkably improve over the widely-used BM-25 as well as embedding models without Transformers. The paragraph-level pre-training tasks we studied are Inverse Cloze Task (ICT), Body First Selection (BFS), Wiki Link Prediction (WLP), and the combination of all three.

  • 5 authors
·
Feb 10, 2020

Bidirectional Likelihood Estimation with Multi-Modal Large Language Models for Text-Video Retrieval

Text-Video Retrieval aims to find the most relevant text (or video) candidate given a video (or text) query from large-scale online databases. Recent work leverages multi-modal large language models (MLLMs) to improve retrieval, especially for long or complex query-candidate pairs. However, we observe that the naive application of MLLMs, i.e., retrieval based on candidate likelihood, introduces candidate prior bias, favoring candidates with inherently higher priors over those more relevant to the query. To this end, we propose a novel retrieval framework, Bidirectional Likelihood Estimation with MLLM (BLiM), which leverages both query and candidate likelihoods by training the model to generate text from a given video as well as video features from a given text. Furthermore, we introduce Candidate Prior Normalization (CPN), a simple yet effective training-free score calibration module designed to mitigate candidate prior bias in candidate likelihood. On four Text-Video Retrieval benchmarks, our BLiM equipped with CPN outperforms previous state-of-the-art models by 6.4 R@1 on average, effectively alleviating candidate prior bias and emphasizing query-candidate relevance. Our in-depth analysis across various multi-modal tasks beyond retrieval highlights the broad applicability of CPN which enhances visual understanding by reducing reliance on textual priors. Code is available at https://github.com/mlvlab/BLiM.

  • 5 authors
·
Jul 31 2

LLM-guided Hierarchical Retrieval

Modern IR systems are increasingly tasked with answering complex, multi-faceted queries that require deep reasoning rather than simple keyword or semantic matching. While LLM-based IR has shown great promise, the prevailing retrieve-then-rerank paradigm inherits the limitations of embedding-based retrieval; parametric generative approaches are difficult to update with new information; and long-context methods that place the entire corpus in context are computationally infeasible for large document collections. To address these challenges, we introduce LATTICE, a hierarchical retrieval framework that enables an LLM to reason over and navigate large corpora with logarithmic search complexity by imposing a semantic tree structure on the corpus. Our approach consists of two stages: (1) an offline phase that organizes the corpus into a semantic hierarchy via either a bottom-up agglomerative strategy or a top-down divisive strategy using multi-level summaries and (2) an online traversal phase where a search LLM navigates this tree. A central challenge in such LLM-guided search is that the model's relevance judgments are noisy, context-dependent, and unaware of the hierarchy, making cross-branch and cross-level comparisons difficult. To overcome this, we propose a traversal algorithm that estimates calibrated latent relevance scores from local LLM outputs and aggregates them into a global path relevance metric. Our training-free framework achieves state-of-the-art zero-shot performance on the reasoning-intensive BRIGHT benchmark, demonstrating up to 9% improvement in Recall@100 and 5% in nDCG@10 over the next best zero-shot baseline. Furthermore, compared to the fine-tuned SOTA method DIVER-v2, LATTICE attains comparable results on BRIGHT subsets that use a static corpus for evaluation.

google Google
·
Oct 15 2

Progressively Optimized Bi-Granular Document Representation for Scalable Embedding Based Retrieval

Ad-hoc search calls for the selection of appropriate answers from a massive-scale corpus. Nowadays, the embedding-based retrieval (EBR) becomes a promising solution, where deep learning based document representation and ANN search techniques are allied to handle this task. However, a major challenge is that the ANN index can be too large to fit into memory, given the considerable size of answer corpus. In this work, we tackle this problem with Bi-Granular Document Representation, where the lightweight sparse embeddings are indexed and standby in memory for coarse-grained candidate search, and the heavyweight dense embeddings are hosted in disk for fine-grained post verification. For the best of retrieval accuracy, a Progressive Optimization framework is designed. The sparse embeddings are learned ahead for high-quality search of candidates. Conditioned on the candidate distribution induced by the sparse embeddings, the dense embeddings are continuously learned to optimize the discrimination of ground-truth from the shortlisted candidates. Besides, two techniques: the contrastive quantization and the locality-centric sampling are introduced for the learning of sparse and dense embeddings, which substantially contribute to their performances. Thanks to the above features, our method effectively handles massive-scale EBR with strong advantages in accuracy: with up to +4.3% recall gain on million-scale corpus, and up to +17.5% recall gain on billion-scale corpus. Besides, Our method is applied to a major sponsored search platform with substantial gains on revenue (+1.95%), Recall (+1.01%) and CTR (+0.49%). Our code is available at https://github.com/microsoft/BiDR.

  • 12 authors
·
Jan 14, 2022

MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures

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

  • 7 authors
·
Mar 20

FREESON: Retriever-Free Retrieval-Augmented Reasoning via Corpus-Traversing MCTS

Large Reasoning Models (LRMs) have demonstrated remarkable capabilities in multi-step reasoning and calling search engines at appropriate steps. However, existing retrieval-augmented reasoning approaches rely on separate retrieval models, limiting the LRM's role in retrieval to deciding when to retrieve and how to query. This separation not only increases hardware and operational costs but also leads to errors in the retrieval process due to the representation bottleneck, a phenomenon where the retriever's embedding space is not expressive enough to meet the generator's requirements. To address this, we shift our perspective from sequence-to-sequence matching to locating the answer-containing paths within the corpus, and propose a novel framework called FREESON (Retriever-FREE Retrieval-Augmented ReaSONing). This framework enables LRMs to retrieve relevant knowledge on their own by acting as both a generator and retriever. To achieve this, we introduce a variant of the MCTS algorithm specialized for the retrieval task, which we call CT-MCTS (Corpus-Traversing Monte Carlo Tree Search). In this algorithm, LRMs traverse through the corpus toward answer-containing regions. Our results on five open-domain QA benchmarks, including single-hop and multi-hop questions, show that FREESON achieves an average improvement of 14.4% in EM and F1 over four multi-step reasoning models with a separate retriever, and it also performs comparably to the strongest baseline, surpassing it by 3% on PopQA and 2WikiMultihopQA.

  • 2 authors
·
May 22 2

VisualWebInstruct: Scaling up Multimodal Instruction Data through Web Search

Vision-Language Models have made significant progress on many perception-focused tasks, however, their progress on reasoning-focused tasks seem to be limited due to the lack of high-quality and diverse training data. In this work, we aim to address the scarcity issue of reasoning-focused multimodal datasets. We propose VisualWebInstruct - a novel approach that leverages search engine to create a diverse, and high-quality dataset spanning multiple disciplines like math, physics, finance, chemistry, etc. Starting with meticulously selected 30,000 seed images, we employ Google Image search to identify websites containing similar images. We collect and process the HTMLs from over 700K unique URL sources. Through a pipeline of content extraction, filtering and synthesis, we build a dataset of approximately 900K question-answer pairs, with 40% being visual QA pairs and the rest as text QA pairs. Models fine-tuned on VisualWebInstruct demonstrate significant performance gains: (1) training from Llava-OV-mid shows 10-20% absolute point gains across benchmarks, (2) training from MAmmoTH-VL shows 5% absoluate gain. Our best model MAmmoTH-VL2 shows state-of-the-art performance within the 10B parameter class on MMMU-Pro-std (40.7%), MathVerse (42.6%), and DynaMath (55.7%). These remarkable results highlight the effectiveness of our dataset in enhancing VLMs' reasoning capabilities for complex multimodal tasks.

  • 7 authors
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Mar 13 2

Pseudo Relevance Feedback is Enough to Close the Gap Between Small and Large Dense Retrieval Models

Scaling dense retrievers to larger large language model (LLM) backbones has been a dominant strategy for improving their retrieval effectiveness. However, this has substantial cost implications: larger backbones require more expensive hardware (e.g. GPUs with more memory) and lead to higher indexing and querying costs (latency, energy consumption). In this paper, we challenge this paradigm by introducing PromptPRF, a feature-based pseudo-relevance feedback (PRF) framework that enables small LLM-based dense retrievers to achieve effectiveness comparable to much larger models. PromptPRF uses LLMs to extract query-independent, structured and unstructured features (e.g., entities, summaries, chain-of-thought keywords, essay) from top-ranked documents. These features are generated offline and integrated into dense query representations via prompting, enabling efficient retrieval without additional training. Unlike prior methods such as GRF, which rely on online, query-specific generation and sparse retrieval, PromptPRF decouples feedback generation from query processing and supports dense retrievers in a fully zero-shot setting. Experiments on TREC DL and BEIR benchmarks demonstrate that PromptPRF consistently improves retrieval effectiveness and offers favourable cost-effectiveness trade-offs. We further present ablation studies to understand the role of positional feedback and analyse the interplay between feature extractor size, PRF depth, and model performance. Our findings demonstrate that with effective PRF design, scaling the retriever is not always necessary, narrowing the gap between small and large models while reducing inference cost.

  • 4 authors
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Mar 19

A Reliable Knowledge Processing Framework for Combustion Science using Foundation Models

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

  • 2 authors
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Dec 31, 2023

Language-Guided Music Recommendation for Video via Prompt Analogies

We propose a method to recommend music for an input video while allowing a user to guide music selection with free-form natural language. A key challenge of this problem setting is that existing music video datasets provide the needed (video, music) training pairs, but lack text descriptions of the music. This work addresses this challenge with the following three contributions. First, we propose a text-synthesis approach that relies on an analogy-based prompting procedure to generate natural language music descriptions from a large-scale language model (BLOOM-176B) given pre-trained music tagger outputs and a small number of human text descriptions. Second, we use these synthesized music descriptions to train a new trimodal model, which fuses text and video input representations to query music samples. For training, we introduce a text dropout regularization mechanism which we show is critical to model performance. Our model design allows for the retrieved music audio to agree with the two input modalities by matching visual style depicted in the video and musical genre, mood, or instrumentation described in the natural language query. Third, to evaluate our approach, we collect a testing dataset for our problem by annotating a subset of 4k clips from the YT8M-MusicVideo dataset with natural language music descriptions which we make publicly available. We show that our approach can match or exceed the performance of prior methods on video-to-music retrieval while significantly improving retrieval accuracy when using text guidance.

  • 4 authors
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Jun 15, 2023

SciRIFF: A Resource to Enhance Language Model Instruction-Following over Scientific Literature

We present SciRIFF (Scientific Resource for Instruction-Following and Finetuning), a dataset of 137K instruction-following demonstrations for 54 tasks covering five essential scientific literature understanding capabilities: information extraction, summarization, question answering, claim verification, and classification. SciRIFF demonstrations are notable for their long input contexts, detailed task specifications, and complex structured outputs. While instruction-following resources are available in specific domains such as clinical medicine and chemistry, SciRIFF is the first dataset focused on extracting and synthesizing information from research literature across a wide range of scientific fields. To demonstrate the utility of SciRIFF, we develop a sample-efficient strategy to adapt a general instruction-following model for science by performing additional finetuning on a mix of general-domain and SciRIFF demonstrations. In evaluations on nine held-out scientific tasks, our model -- called SciTulu -- improves over a strong LLM baseline by 28.1% and 6.5% at the 7B and 70B scales respectively, while maintaining general instruction-following performance within 2% of the baseline. We are optimistic that SciRIFF will facilitate the development and evaluation of LLMs to help researchers navigate the ever-growing body of scientific literature. We release our dataset, model checkpoints, and data processing and evaluation code to enable further research.

  • 13 authors
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Jun 10, 2024

FrugalRAG: Learning to retrieve and reason for multi-hop QA

We consider the problem of answering complex questions, given access to a large unstructured document corpus. The de facto approach to solving the problem is to leverage language models that (iteratively) retrieve and reason through the retrieved documents, until the model has sufficient information to generate an answer. Attempts at improving this approach focus on retrieval-augmented generation (RAG) metrics such as accuracy and recall and can be categorized into two types: (a) fine-tuning on large question answering (QA) datasets augmented with chain-of-thought traces, and (b) leveraging RL-based fine-tuning techniques that rely on question-document relevance signals. However, efficiency in the number of retrieval searches is an equally important metric, which has received less attention. In this work, we show that: (1) Large-scale fine-tuning is not needed to improve RAG metrics, contrary to popular claims in recent literature. Specifically, a standard ReAct pipeline with improved prompts can outperform state-of-the-art methods on benchmarks such as HotPotQA. (2) Supervised and RL-based fine-tuning can help RAG from the perspective of frugality, i.e., the latency due to number of searches at inference time. For example, we show that we can achieve competitive RAG metrics at nearly half the cost (in terms of number of searches) on popular RAG benchmarks, using the same base model, and at a small training cost (1000 examples).

  • 4 authors
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Jul 10

Analyzing the Efficacy of an LLM-Only Approach for Image-based Document Question Answering

Recent document question answering models consist of two key components: the vision encoder, which captures layout and visual elements in images, and a Large Language Model (LLM) that helps contextualize questions to the image and supplements them with external world knowledge to generate accurate answers. However, the relative contributions of the vision encoder and the language model in these tasks remain unclear. This is especially interesting given the effectiveness of instruction-tuned LLMs, which exhibit remarkable adaptability to new tasks. To this end, we explore the following aspects in this work: (1) The efficacy of an LLM-only approach on document question answering tasks (2) strategies for serializing textual information within document images and feeding it directly to an instruction-tuned LLM, thus bypassing the need for an explicit vision encoder (3) thorough quantitative analysis on the feasibility of such an approach. Our comprehensive analysis encompasses six diverse benchmark datasets, utilizing LLMs of varying scales. Our findings reveal that a strategy exclusively reliant on the LLM yields results that are on par with or closely approach state-of-the-art performance across a range of datasets. We posit that this evaluation framework will serve as a guiding resource for selecting appropriate datasets for future research endeavors that emphasize the fundamental importance of layout and image content information.

  • 4 authors
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Sep 25, 2023

Improving Query Representations for Dense Retrieval with Pseudo Relevance Feedback: A Reproducibility Study

Pseudo-Relevance Feedback (PRF) utilises the relevance signals from the top-k passages from the first round of retrieval to perform a second round of retrieval aiming to improve search effectiveness. A recent research direction has been the study and development of PRF methods for deep language models based rankers, and in particular in the context of dense retrievers. Dense retrievers, compared to more complex neural rankers, provide a trade-off between effectiveness, which is often reduced compared to more complex neural rankers, and query latency, which also is reduced making the retrieval pipeline more efficient. The introduction of PRF methods for dense retrievers has been motivated as an attempt to further improve their effectiveness. In this paper, we reproduce and study a recent method for PRF with dense retrievers, called ANCE-PRF. This method concatenates the query text and that of the top-k feedback passages to form a new query input, which is then encoded into a dense representation using a newly trained query encoder based on the original dense retriever used for the first round of retrieval. While the method can potentially be applied to any of the existing dense retrievers, prior work has studied it only in the context of the ANCE dense retriever. We study the reproducibility of ANCE-PRF in terms of both its training (encoding of the PRF signal) and inference (ranking) steps. We further extend the empirical analysis provided in the original work to investigate the effect of the hyper-parameters that govern the training process and the robustness of the method across these different settings. Finally, we contribute a study of the generalisability of the ANCE-PRF method when dense retrievers other than ANCE are used for the first round of retrieval and for encoding the PRF signal.

  • 6 authors
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Dec 12, 2021