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Jul 16

Medical Graph RAG: Towards Safe Medical Large Language Model via Graph Retrieval-Augmented Generation

We introduce a novel graph-based Retrieval-Augmented Generation (RAG) framework specifically designed for the medical domain, called MedGraphRAG, aimed at enhancing Large Language Model (LLM) capabilities and generating evidence-based results, thereby improving safety and reliability when handling private medical data. Our comprehensive pipeline begins with a hybrid static-semantic approach to document chunking, significantly improving context capture over traditional methods. Extracted entities are used to create a three-tier hierarchical graph structure, linking entities to foundational medical knowledge sourced from medical papers and dictionaries. These entities are then interconnected to form meta-graphs, which are merged based on semantic similarities to develop a comprehensive global graph. This structure supports precise information retrieval and response generation. The retrieval process employs a U-retrieve method to balance global awareness and indexing efficiency of the LLM. Our approach is validated through a comprehensive ablation study comparing various methods for document chunking, graph construction, and information retrieval. The results not only demonstrate that our hierarchical graph construction method consistently outperforms state-of-the-art models on multiple medical Q\&A benchmarks, but also confirms that the responses generated include source documentation, significantly enhancing the reliability of medical LLMs in practical applications. Code will be at: https://github.com/MedicineToken/Medical-Graph-RAG/tree/main

  • 3 authors
·
Aug 7, 2024

CONFLARE: CONFormal LArge language model REtrieval

Retrieval-augmented generation (RAG) frameworks enable large language models (LLMs) to retrieve relevant information from a knowledge base and incorporate it into the context for generating responses. This mitigates hallucinations and allows for the updating of knowledge without retraining the LLM. However, RAG does not guarantee valid responses if retrieval fails to identify the necessary information as the context for response generation. Also, if there is contradictory content, the RAG response will likely reflect only one of the two possible responses. Therefore, quantifying uncertainty in the retrieval process is crucial for ensuring RAG trustworthiness. In this report, we introduce a four-step framework for applying conformal prediction to quantify retrieval uncertainty in RAG frameworks. First, a calibration set of questions answerable from the knowledge base is constructed. Each question's embedding is compared against document embeddings to identify the most relevant document chunks containing the answer and record their similarity scores. Given a user-specified error rate ({\alpha}), these similarity scores are then analyzed to determine a similarity score cutoff threshold. During inference, all chunks with similarity exceeding this threshold are retrieved to provide context to the LLM, ensuring the true answer is captured in the context with a (1-{\alpha}) confidence level. We provide a Python package that enables users to implement the entire workflow proposed in our work, only using LLMs and without human intervention.

  • 5 authors
·
Apr 3, 2024

From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

  • 353 authors
·
May 3

Masking Stale Observations Helps Search Agents -- Until It Doesn't: A Regime Map and Its Mechanism

Long-horizon search agents accumulate large amounts of retrieved content across many tool calls, making context-budget efficiency increasingly important. A minimal intervention is to mask stale observations from the context as the trajectory progresses, but it remains unclear when this form of context management helps and why. We study observation masking through a systematic sweep over various agent backbones (4B to 284B parameters) and three retrievers on offline and live-web agentic search benchmarks. We find that the accuracy gain from masking follows an asymmetric inverted-U shape when plotted against the model's accuracy without context management: a plateau under weak retrievers, a peak when a strong retriever meets a mid-capacity model, and a sharp collapse when the model is saturated. This pattern reflects the interaction between retriever recall and the model's implicit filtering capacity, rather than either factor in isolation. Mechanistically, masking implements a token-for-turn trade-off: it removes observations the model has largely stopped attending to and pages the agent rarely re-opens. The added turns help when they convert failures into successes, but they fail when masking removes evidence the model would otherwise have used. We therefore reframe context management as a regime-dependent intervention and provide a holistic perspective for analyzing context use in agentic deep search. We release our scaffold and trajectories here (https://github.com/i-DeepSearch/observation-masking) to support future research.

McAuley-Lab McAuley-Lab
·
May 28 2

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, 2025

FashionLens: Toward Versatile Fashion Image Retrieval via Task-Adaptive Learning

Fashion image retrieval is a cornerstone of modern e-commerce systems. A unified framework that supports diverse query formats and search intentions is highly desired in practice. However, existing approaches focus on narrow retrieval tasks and do not fully capture such diversity. Therefore, in this work, we aim to develop a unified framework capable of handling diverse realistic fashion retrieval scenarios, achieving truly versatile fashion image retrieval. To establish a data foundation, we first introduce U-FIRE, a comprehensive benchmark that consolidates fragmented fashion datasets into a unified collection, supplemented by two manually curated datasets for testing generalization. Building upon this, we propose FashionLens, a unified framework based on Multimodal Large Language Models. To handle divergent matching objectives, we design a Proposal-Guided Spherical Query Calibrator that dynamically shifts query representations into task-aligned metric spaces via adaptive spherical linear interpolation. Additionally, to mitigate the optimization imbalance caused by varying task complexities and data scales, we develop a Gradient-Guided Adaptive Sampling strategy that automatically re-weights tasks based on realtime learning difficulty and the data scale prior. Experiments on U-FIRE show that FashionLens achieves state-of-the-art performance across diverse retrieval scenarios and generalizes robustly to unseen tasks. The data and code are publicly released at https://github.com/haokunwen/FashionLens.

  • 6 authors
·
May 20 1

Is Dimensionality a Barrier for Retrieval Models?

Why does the low dimensionality of representations, typically dapprox 1000, not prevent modern embedding-based retrieval models from scaling to billions, or even trillions, of data points? To answer this question, we study maximal-margin embeddings in the following retrieval model, classically studied in communication complexity [PS86] and more recently in embedding-based retrieval [WBNL26]. Let Ain {0,1}^{Ntimes n} be a matrix indicating whether each of N queries is relevant to each of n documents. We are interested in the largest margin m>0, denoted by m^{rd}(d, A), for which there exist unit norm embeddings of the queries and documents {U_j}_{j = 1}^N, {V_i}_{i = 1}^n with the following property. langle U_j, V_irangle ge m whenever A_{ji} = 1 and langle U_j, V_irangle le -m otherwise. A large margin is a key proxy for representation quality: it controls both robustness to perturbations and compositional generalization across queries. Our main theorem establishes that the best possible margin without a restriction on the dimension, m^{rd}(+infty, A), can be nearly achieved in dimension d = O(m^{rd}(+infty, A)^{-2}log n) which improves a theorem of [BDES02]. Together with a matching lower bound in Theorem 1.5, we conclude that when Ain {0,1}^{n{k}times n} is the matrix containing all possible k-sparse rows once, dimension d = O(klog (n/k)) is necessary and sufficient for the maximal possible margin m^{rd}(+infty, A) = Θ(k^{-1/2}) in this setting. This fully resolves the setup of [WBNL26]. We also give several constructions for large margins when d = o(klog (n/k)). Finally, we empirically test the InfoNCE and sigmoid losses for producing large margin embeddings and demonstrate a clear advantage of the sigmoid loss.

  • 4 authors
·
May 21

U-CAN: Utility-Aware Contrastive Attenuation for Efficient Unlearning in Generative Recommendation

Generative Recommendation (GenRec) typically leverages Large Language Models (LLMs) to redefine personalization as an instruction-driven sequence generation task. However, fine-tuning on user logs inadvertently encodes sensitive attributes into model parameters, raising critical privacy concerns. Existing Machine Unlearning (MU) techniques struggle to navigate this tension due to the Polysemy Dilemma, where neurons superimpose sensitive data with general reasoning patterns, leading to catastrophic utility loss under traditional gradient or pruning methods. To address this, we propose Utility-aware Contrastive AttenuatioN (U-CAN), a precision unlearning framework that operates on low-rank adapters. U-CAN quantifies risk by contrasting activations and focuses on neurons with asymmetric responses that are highly sensitive to the forgetting set but suppressed on the retention set. To safeguard performance, we introduce a utility-aware calibration mechanism that combines weight magnitudes with retention-set activation norms, assigning higher utility scores to dimensions that contribute strongly to retention performance. Unlike binary pruning, which often fragments network structure, U-CAN develop adaptive soft attenuation with a differentiable decay function to selectively down-scale high-risk parameters on LoRA adapters, suppressing sensitive retrieval pathways and preserving the topological connectivity of reasoning circuits. Experiments on two public datasets across seven metrics demonstrate that U-CAN achieves strong privacy forgetting, utility retention, and computational efficiency.

  • 7 authors
·
Feb 25

When Classic Cache Policies Fail: Learning-Augmented Replacement for Semantic Retrieval Buffers

LLM agents increasingly rely on retrieval buffers to store and reuse past experience, yet the cache management policies governing these buffers remain largely ad-hoc. We formalize this as an online semantic cache replacement problem with switching costs, where items are matched by embedding similarity and hit quality is continuous rather than binary. Through experiments on two datasets from MemoryBench-Full (LoCoMo, DialSim) with 8 replacement policies, we reveal a surprising finding: classic heuristics (LRU, LFU) consistently underperform the naive FIFO baseline on semantic workloads, due to the absence of temporal locality and frequency concentration. We propose SOLAR, a learning-augmented framework that derives modification timing from regret accumulation (achieving sim17\% modification rate) and content selection from Bayesian online learning over implicit retrieval feedback. We prove SOLAR achieves a constant competitive ratio leq 3, independent of cache size and horizon (vs.\ Ω(K) for FIFO), and eviction regret O(KTlog T), matching the Ω(KT) lower bound up to logarithmic factors. Experiments demonstrate 5--75\% relative improvement over FIFO at tight cache sizes, with a clearly characterized phase transition at the working set boundary. Synthetic experiments with 5000-item pools further reveal an inverted-U relationship between pool size and retrieval quality, justifying capacity constraints as a retrieval noise phenomenon rather than a storage limitation.

tencent Tencent
·
Jun 30 2

Optimizing What Matters: AUC-Driven Learning for Robust Neural Retrieval

Dual-encoder retrievers depend on the principle that relevant documents should score higher than irrelevant ones for a given query. Yet the dominant Noise Contrastive Estimation (NCE) objective, which underpins Contrastive Loss, optimizes a softened ranking surrogate that we rigorously prove is fundamentally oblivious to score separation quality and unrelated to AUC. This mismatch leads to poor calibration and suboptimal performance in downstream tasks like retrieval-augmented generation (RAG). To address this fundamental limitation, we introduce the MW loss, a new training objective that maximizes the Mann-Whitney U statistic, which is mathematically equivalent to the Area under the ROC Curve (AUC). MW loss encourages each positive-negative pair to be correctly ranked by minimizing binary cross entropy over score differences. We provide theoretical guarantees that MW loss directly upper-bounds the AoC, better aligning optimization with retrieval goals. We further promote ROC curves and AUC as natural threshold free diagnostics for evaluating retriever calibration and ranking quality. Empirically, retrievers trained with MW loss consistently outperform contrastive counterparts in AUC and standard retrieval metrics. Our experiments show that MW loss is an empirically superior alternative to Contrastive Loss, yielding better-calibrated and more discriminative retrievers for high-stakes applications like RAG.

ServiceNow-AI ServiceNow-AI
·
Sep 30, 2025 2

Author Once, Publish Everywhere: Portable Metadata Authoring with the CEDAR Embeddable Editor

High-quality, "rich" metadata are essential for making research data findable, interoperable, and reusable. The Center for Expanded Data Annotation and Retrieval (CEDAR) has long addressed this need by providing tools to design machine-actionable metadata templates that encode community standards in a computable form. To make these capabilities more accessible within real-world research workflows, we have developed the CEDAR Embeddable Editor (CEE)-a lightweight, interoperable Web Component that brings structured, standards-based metadata authoring directly into third-party platforms. The CEE dynamically renders metadata forms from machine-actionable templates and produces semantically rich metadata in JSON-LD format. It supports ontology-based value selection via the BioPortal ontology repository, and it includes external authority resolution for persistent identifiers such as ORCIDs for individuals and RORs for research organizations. Crucially, the CEE requires no custom user-interface development, allowing deployment across diverse platforms. The CEE has been successfully integrated into generalist scientific data repositories such as Dryad and the Open Science Framework, demonstrating its ability to support discipline-specific metadata creation. By supporting the embedding of metadata authoring within existing research environments, the CEE can facilitate the adoption of community standards and help improve metadata quality across scientific disciplines.

  • 6 authors
·
Jul 16, 2025

AI-University: An LLM-based platform for instructional alignment to scientific classrooms

We introduce AI University (AI-U), a flexible framework for AI-driven course content delivery that adapts to instructors' teaching styles. At its core, AI-U fine-tunes a large language model (LLM) with retrieval-augmented generation (RAG) to generate instructor-aligned responses from lecture videos, notes, and textbooks. Using a graduate-level finite-element-method (FEM) course as a case study, we present a scalable pipeline to systematically construct training data, fine-tune an open-source LLM with Low-Rank Adaptation (LoRA), and optimize its responses through RAG-based synthesis. Our evaluation - combining cosine similarity, LLM-based assessment, and expert review - demonstrates strong alignment with course materials. We also have developed a prototype web application, available at https://my-ai-university.com, that enhances traceability by linking AI-generated responses to specific sections of the relevant course material and time-stamped instances of the open-access video lectures. Our expert model is found to have greater cosine similarity with a reference on 86% of test cases. An LLM judge also found our expert model to outperform the base Llama 3.2 model approximately four times out of five. AI-U offers a scalable approach to AI-assisted education, paving the way for broader adoption in higher education. Here, our framework has been presented in the setting of a class on FEM - a subject that is central to training PhD and Master students in engineering science. However, this setting is a particular instance of a broader context: fine-tuning LLMs to research content in science.

  • 8 authors
·
Apr 10, 2025 2