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May 7

A Survey on Self-Supervised Graph Foundation Models: Knowledge-Based Perspective

Graph self-supervised learning (SSL) is now a go-to method for pre-training graph foundation models (GFMs). There is a wide variety of knowledge patterns embedded in the graph data, such as node properties and clusters, which are crucial to learning generalized representations for GFMs. However, existing surveys of GFMs have several shortcomings: they lack comprehensiveness regarding the most recent progress, have unclear categorization of self-supervised methods, and take a limited architecture-based perspective that is restricted to only certain types of graph models. As the ultimate goal of GFMs is to learn generalized graph knowledge, we provide a comprehensive survey of self-supervised GFMs from a novel knowledge-based perspective. We propose a knowledge-based taxonomy, which categorizes self-supervised graph models by the specific graph knowledge utilized. Our taxonomy consists of microscopic (nodes, links, etc.), mesoscopic (context, clusters, etc.), and macroscopic knowledge (global structure, manifolds, etc.). It covers a total of 9 knowledge categories and more than 25 pretext tasks for pre-training GFMs, as well as various downstream task generalization strategies. Such a knowledge-based taxonomy allows us to re-examine graph models based on new architectures more clearly, such as graph language models, as well as provide more in-depth insights for constructing GFMs.

  • 6 authors
·
May 5, 2025

MechGPT, a language-based strategy for mechanics and materials modeling that connects knowledge across scales, disciplines and modalities

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

  • 1 authors
·
Oct 16, 2023

ArK: Augmented Reality with Knowledge Interactive Emergent Ability

Despite the growing adoption of mixed reality and interactive AI agents, it remains challenging for these systems to generate high quality 2D/3D scenes in unseen environments. The common practice requires deploying an AI agent to collect large amounts of data for model training for every new task. This process is costly, or even impossible, for many domains. In this study, we develop an infinite agent that learns to transfer knowledge memory from general foundation models (e.g. GPT4, DALLE) to novel domains or scenarios for scene understanding and generation in the physical or virtual world. The heart of our approach is an emerging mechanism, dubbed Augmented Reality with Knowledge Inference Interaction (ArK), which leverages knowledge-memory to generate scenes in unseen physical world and virtual reality environments. The knowledge interactive emergent ability (Figure 1) is demonstrated as the observation learns i) micro-action of cross-modality: in multi-modality models to collect a large amount of relevant knowledge memory data for each interaction task (e.g., unseen scene understanding) from the physical reality; and ii) macro-behavior of reality-agnostic: in mix-reality environments to improve interactions that tailor to different characterized roles, target variables, collaborative information, and so on. We validate the effectiveness of ArK on the scene generation and editing tasks. We show that our ArK approach, combined with large foundation models, significantly improves the quality of generated 2D/3D scenes, compared to baselines, demonstrating the potential benefit of incorporating ArK in generative AI for applications such as metaverse and gaming simulation.

  • 11 authors
·
May 1, 2023

Physics of Language Models: Part 3.3, Knowledge Capacity Scaling Laws

Scaling laws describe the relationship between the size of language models and their capabilities. Unlike prior studies that evaluate a model's capability via loss or benchmarks, we estimate the number of knowledge bits a model stores. We focus on factual knowledge represented as tuples, such as (USA, capital, Washington D.C.) from a Wikipedia page. Through multiple controlled datasets, we establish that language models can and only can store 2 bits of knowledge per parameter, even when quantized to int8, and such knowledge can be flexibly extracted for downstream applications. Consequently, a 7B model can store 14B bits of knowledge, surpassing the English Wikipedia and textbooks combined based on our estimation. More broadly, we present 12 results on how (1) training duration, (2) model architecture, (3) quantization, (4) sparsity constraints such as MoE, and (5) data signal-to-noise ratio affect a model's knowledge storage capacity. Notable insights include: * The GPT-2 architecture, with rotary embedding, matches or even surpasses LLaMA/Mistral architectures in knowledge storage, particularly over shorter training durations. This arises because LLaMA/Mistral uses GatedMLP, which is less stable and harder to train. * Prepending training data with domain names (e.g., wikipedia.org) significantly increases a model's knowledge capacity. Language models can autonomously identify and prioritize domains rich in knowledge, optimizing their storage capacity.

  • 2 authors
·
Apr 8, 2024

Time evolution of the Boltzmann entropy for a nonequilibrium dilute gas

We investigate the time evolution of the Boltzmann entropy of a dilute gas of N particles, N>>1, as it undergoes a free expansion doubling its volume. The microstate of the system, a point in the 4N dimensional phase space, changes in time via Hamiltonian dynamics. Its entropy, at any time t, is given by the logarithm of the phase space volume of all the microstates giving rise to its macrostate at time t. The macrostates that we consider are defined by coarse graining the one-particle phase space into cells Δ_α. The initial and final macrostates of the system are equilibrium states in volumes V and 2V, with the same energy E and particle number N. Their entropy per particle is given, for sufficiently large systems, by the thermodynamic entropy as a function of the particle and energy density, whose leading term is independent of the size of the Δ_α. The intermediate (non-equilibrium) entropy does however depend on the size of the cells Δ_α. Its change with time is due to (i) dispersal in physical space from free motion and to (ii) the collisions between particles which change their velocities. The former depends strongly on the size of the velocity coarse graining Δv: it produces entropy at a rate proportional to Δv. This dependence is investigated numerically and analytically for a dilute two-dimensional gas of hard discs. It becomes significant when the mean free path between collisions is of the same order or larger than the length scale of the initial spatial inhomogeneity. In the opposite limit, the rate of entropy production is essentially independent of Δv and is given by the Boltzmann equation for the limit Δvrightarrow 0. We show that when both processes are active the time dependence of the entropy has a scaling form involving the ratio of the rates of its production by the two processes.

  • 4 authors
·
Mar 12, 2024

Molecular Contrastive Learning with Chemical Element Knowledge Graph

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes self-supervision signals and has no requirements for human annotations. However, prior works fail to incorporate fundamental domain knowledge into graph semantics and thus ignore the correlations between atoms that have common attributes but are not directly connected by bonds. To address these issues, we construct a Chemical Element Knowledge Graph (KG) to summarize microscopic associations between elements and propose a novel Knowledge-enhanced Contrastive Learning (KCL) framework for molecular representation learning. KCL framework consists of three modules. The first module, knowledge-guided graph augmentation, augments the original molecular graph based on the Chemical Element KG. The second module, knowledge-aware graph representation, extracts molecular representations with a common graph encoder for the original molecular graph and a Knowledge-aware Message Passing Neural Network (KMPNN) to encode complex information in the augmented molecular graph. The final module is a contrastive objective, where we maximize agreement between these two views of molecular graphs. Extensive experiments demonstrated that KCL obtained superior performances against state-of-the-art baselines on eight molecular datasets. Visualization experiments properly interpret what KCL has learned from atoms and attributes in the augmented molecular graphs. Our codes and data are available at https://github.com/ZJU-Fangyin/KCL.

  • 10 authors
·
Dec 1, 2021

Inside-Out: Hidden Factual Knowledge in LLMs

This work presents a framework for assessing whether large language models (LLMs) encode more factual knowledge in their parameters than what they express in their outputs. While a few studies hint at this possibility, none has clearly defined or demonstrated this phenomenon. We first propose a formal definition of knowledge, quantifying it for a given question as the fraction of correct-incorrect answer pairs where the correct one is ranked higher. This gives rise to external and internal knowledge, depending on the information used to score individual answer candidates: either the model's observable token-level probabilities or its intermediate computations. Hidden knowledge arises when internal knowledge exceeds external knowledge. We then present a case study, applying this framework to three popular open-weights LLMs in a closed-book QA setup. Our results indicate that: (1) LLMs consistently encode more factual knowledge internally than what they express externally, with an average gap of 40%. (2) Surprisingly, some knowledge is so deeply hidden that a model can internally know an answer perfectly, yet fail to generate it even once, despite large-scale repeated sampling of 1,000 answers. This reveals fundamental limitations in the generation capabilities of LLMs, which (3) puts a practical constraint on scaling test-time compute via repeated answer sampling in closed-book QA: significant performance improvements remain inaccessible because some answers are practically never sampled, yet if they were, we would be guaranteed to rank them first.

  • 8 authors
·
Mar 19, 2025 1

Higher-Order Knowledge Representations for Agentic Scientific Reasoning

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential capabilities, they often depend on retrieval-augmented contexts that lack structural depth. Traditional Knowledge Graphs (KGs) attempt to bridge this gap, yet their pairwise constraints fail to capture the irreducible higher-order interactions that govern emergent physical behavior. To address this, we introduce a methodology for constructing hypergraph-based knowledge representations that faithfully encode multi-entity relationships. Applied to a corpus of ~1,100 manuscripts on biocomposite scaffolds, our framework constructs a global hypergraph of 161,172 nodes and 320,201 hyperedges, revealing a scale-free topology (power law exponent ~1.23) organized around highly connected conceptual hubs. This representation prevents the combinatorial explosion typical of pairwise expansions and explicitly preserves the co-occurrence context of scientific formulations. We further demonstrate that equipping agentic systems with hypergraph traversal tools, specifically using node-intersection constraints, enables them to bridge semantically distant concepts. By exploiting these higher-order pathways, the system successfully generates grounded mechanistic hypotheses for novel composite materials, such as linking cerium oxide to PCL scaffolds via chitosan intermediates. This work establishes a "teacherless" agentic reasoning system where hypergraph topology acts as a verifiable guardrail, accelerating scientific discovery by uncovering relationships obscured by traditional graph methods.

  • 2 authors
·
Jan 8

What's In Your Field? Mapping Scientific Research with Knowledge Graphs and Large Language Models

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

  • 4 authors
·
Mar 12, 2025

Inverse Knowledge Search over Verifiable Reasoning: Synthesizing a Scientific Encyclopedia from a Long Chains-of-Thought Knowledge Base

Most scientific materials compress reasoning, presenting conclusions while omitting the derivational chains that justify them. This compression hinders verification by lacking explicit, step-wise justifications and inhibits cross-domain links by collapsing the very pathways that establish the logical and causal connections between concepts. We introduce a scalable framework that decompresses scientific reasoning, constructing a verifiable Long Chain-of-Thought (LCoT) knowledge base and projecting it into an emergent encyclopedia, SciencePedia. Our pipeline operationalizes an endpoint-driven, reductionist strategy: a Socratic agent, guided by a curriculum of around 200 courses, generates approximately 3 million first-principles questions. To ensure high fidelity, multiple independent solver models generate LCoTs, which are then rigorously filtered by prompt sanitization and cross-model answer consensus, retaining only those with verifiable endpoints. This verified corpus powers the Brainstorm Search Engine, which performs inverse knowledge search -- retrieving diverse, first-principles derivations that culminate in a target concept. This engine, in turn, feeds the Plato synthesizer, which narrates these verified chains into coherent articles. The initial SciencePedia comprises approximately 200,000 fine-grained entries spanning mathematics, physics, chemistry, biology, engineering, and computation. In evaluations across six disciplines, Plato-synthesized articles (conditioned on retrieved LCoTs) exhibit substantially higher knowledge-point density and significantly lower factual error rates than an equally-prompted baseline without retrieval (as judged by an external LLM). Built on this verifiable LCoT knowledge base, this reasoning-centric approach enables trustworthy, cross-domain scientific synthesis at scale and establishes the foundation for an ever-expanding encyclopedia.

  • 23 authors
·
Jan 16

MARK: Memory Augmented Refinement of Knowledge

Large Language Models (LLMs) assist in specialized tasks but struggle to align with evolving domain knowledge without costly fine-tuning. Domain knowledge consists of: Knowledge: Immutable facts (e.g., 'A stone is solid') and generally accepted principles (e.g., ethical standards); Refined Memory: Evolving insights shaped by business needs and real-world changes. However, a significant gap often exists between a domain expert's deep, nuanced understanding and the system's domain knowledge, which can hinder accurate information retrieval and application. Our Memory-Augmented Refinement of Knowledge (MARK) framework enables LLMs to continuously learn without retraining by leveraging structured refined memory, inspired by the Society of Mind. MARK operates through specialized agents, each serving a distinct role: Residual Refined Memory Agent: Stores and retrieves domain-specific insights to maintain context over time; User Question Refined Memory Agent: Captures user-provided facts, abbreviations, and terminology for better comprehension; LLM Response Refined Memory Agent: Extracts key elements from responses for refinement and personalization. These agents analyse stored refined memory, detect patterns, resolve contradictions, and improve response accuracy. Temporal factors like recency and frequency prioritize relevant information while discarding outdated insights. MARK enhances LLMs in multiple ways: Ground Truth Strategy: Reduces hallucinations by establishing a structured reference; Domain-Specific Adaptation: Essential for fields like healthcare, law, and manufacturing, where proprietary insights are absent from public datasets; Personalized AI Assistants: Improves virtual assistants by remembering user preferences, ensuring coherent responses over time.

  • 3 authors
·
May 8, 2025

Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

  • 1 authors
·
Mar 18, 2024

Integrating Knowledge Graph embedding and pretrained Language Models in Hypercomplex Spaces

Knowledge Graphs, such as Wikidata, comprise structural and textual knowledge in order to represent knowledge. For each of the two modalities dedicated approaches for graph embedding and language models learn patterns that allow for predicting novel structural knowledge. Few approaches have integrated learning and inference with both modalities and these existing ones could only partially exploit the interaction of structural and textual knowledge. In our approach, we build on existing strong representations of single modalities and we use hypercomplex algebra to represent both, (i), single-modality embedding as well as, (ii), the interaction between different modalities and their complementary means of knowledge representation. More specifically, we suggest Dihedron and Quaternion representations of 4D hypercomplex numbers to integrate four modalities namely structural knowledge graph embedding, word-level representations (e.g.\ Word2vec, Fasttext), sentence-level representations (Sentence transformer), and document-level representations (sentence transformer, Doc2vec). Our unified vector representation scores the plausibility of labelled edges via Hamilton and Dihedron products, thus modeling pairwise interactions between different modalities. Extensive experimental evaluation on standard benchmark datasets shows the superiority of our two new models using abundant textual information besides sparse structural knowledge to enhance performance in link prediction tasks.

  • 7 authors
·
Aug 4, 2022

MMMG: A Massive, Multidisciplinary, Multi-Tier Generation Benchmark for Text-to-Image Reasoning

In this paper, we introduce knowledge image generation as a new task, alongside the Massive Multi-Discipline Multi-Tier Knowledge-Image Generation Benchmark (MMMG) to probe the reasoning capability of image generation models. Knowledge images have been central to human civilization and to the mechanisms of human learning -- a fact underscored by dual-coding theory and the picture-superiority effect. Generating such images is challenging, demanding multimodal reasoning that fuses world knowledge with pixel-level grounding into clear explanatory visuals. To enable comprehensive evaluation, MMMG offers 4,456 expert-validated (knowledge) image-prompt pairs spanning 10 disciplines, 6 educational levels, and diverse knowledge formats such as charts, diagrams, and mind maps. To eliminate confounding complexity during evaluation, we adopt a unified Knowledge Graph (KG) representation. Each KG explicitly delineates a target image's core entities and their dependencies. We further introduce MMMG-Score to evaluate generated knowledge images. This metric combines factual fidelity, measured by graph-edit distance between KGs, with visual clarity assessment. Comprehensive evaluations of 16 state-of-the-art text-to-image generation models expose serious reasoning deficits -- low entity fidelity, weak relations, and clutter -- with GPT-4o achieving an MMMG-Score of only 50.20, underscoring the benchmark's difficulty. To spur further progress, we release FLUX-Reason (MMMG-Score of 34.45), an effective and open baseline that combines a reasoning LLM with diffusion models and is trained on 16,000 curated knowledge image-prompt pairs.

  • 9 authors
·
Jun 12, 2025 1

Synatra: Turning Indirect Knowledge into Direct Demonstrations for Digital Agents at Scale

LLMs can now act as autonomous agents that interact with digital environments and complete specific objectives (e.g., arranging an online meeting). However, accuracy is still far from satisfactory, partly due to a lack of large-scale, direct demonstrations for digital tasks. Obtaining supervised data from humans is costly, and automatic data collection through exploration or reinforcement learning relies on complex environmental and content setup, resulting in datasets that lack comprehensive coverage of various scenarios. On the other hand, there is abundant knowledge that may indirectly assist task completion, such as online tutorials that were created for human consumption. In this work, we present Synatra, an approach that effectively transforms this indirect knowledge into direct supervision at scale. We define different types of indirect knowledge, and carefully study the available sources to obtain it, methods to encode the structure of direct demonstrations, and finally methods to transform indirect knowledge into direct demonstrations. We use 100k such synthetically-created demonstrations to finetune a 7B CodeLlama, and demonstrate that the resulting agent surpasses all comparably sized models on three web-based task benchmarks Mind2Web, MiniWoB++ and WebArena, as well as surpassing GPT-3.5 on WebArena and Mind2Web. In addition, while synthetic demonstrations prove to be only 3% the cost of human demonstrations (at $0.031 each), we show that the synthetic demonstrations can be more effective than an identical number of human demonstrations collected from limited domains.

  • 10 authors
·
Sep 23, 2024

PIN: A Knowledge-Intensive Dataset for Paired and Interleaved Multimodal Documents

Recent advancements in Large Multimodal Models (LMMs) have leveraged extensive multimodal datasets to enhance capabilities in complex knowledge-driven tasks. However, persistent challenges in perceptual and reasoning errors limit their efficacy, particularly in interpreting intricate visual data and deducing multimodal relationships. Addressing these issues, we introduce a novel dataset format, PIN (Paired and INterleaved multimodal documents), designed to significantly improve both the depth and breadth of multimodal training. The PIN format is built on three foundational principles: knowledge intensity, scalability, and support for diverse training modalities. This innovative format combines markdown files and comprehensive images to enrich training data with a dense knowledge structure and versatile training strategies. We present PIN-14M, an open-source dataset comprising 14 million samples derived from a diverse range of Chinese and English sources, tailored to include complex web and scientific content. This dataset is constructed meticulously to ensure data quality and ethical integrity, aiming to facilitate advanced training strategies and improve model robustness against common multimodal training pitfalls. Our initial results, forming the basis of this technical report, suggest significant potential for the PIN format in refining LMM performance, with plans for future expansions and detailed evaluations of its impact on model capabilities.

  • 16 authors
·
Jun 19, 2024 1

Zyxin is all you need: machine learning adherent cell mechanics

Cellular form and function emerge from complex mechanochemical systems within the cytoplasm. No systematic strategy currently exists to infer large-scale physical properties of a cell from its many molecular components. This is a significant obstacle to understanding biophysical processes such as cell adhesion and migration. Here, we develop a data-driven biophysical modeling approach to learn the mechanical behavior of adherent cells. We first train neural networks to predict forces generated by adherent cells from images of cytoskeletal proteins. Strikingly, experimental images of a single focal adhesion protein, such as zyxin, are sufficient to predict forces and generalize to unseen biological regimes. This protein field alone contains enough information to yield accurate predictions even if forces themselves are generated by many interacting proteins. We next develop two approaches - one explicitly constrained by physics, the other more agnostic - that help construct data-driven continuum models of cellular forces using this single focal adhesion field. Both strategies consistently reveal that cellular forces are encoded by two different length scales in adhesion protein distributions. Beyond adherent cell mechanics, our work serves as a case study for how to integrate neural networks in the construction of predictive phenomenological models in cell biology, even when little knowledge of the underlying microscopic mechanisms exist.

  • 8 authors
·
Feb 28, 2023

A Comprehensive Evaluation of GPT-4V on Knowledge-Intensive Visual Question Answering

The emergence of multimodal large models (MLMs) has significantly advanced the field of visual understanding, offering remarkable capabilities in the realm of visual question answering (VQA). Yet, the true challenge lies in the domain of knowledge-intensive VQA tasks, which necessitate not just recognition of visual elements, but also a deep comprehension of the visual information in conjunction with a vast repository of learned knowledge. To uncover such capabilities of MLMs, particularly the newly introduced GPT-4V and Gemini, we provide an in-depth evaluation from three perspectives: 1) Commonsense Knowledge, which assesses how well models can understand visual cues and connect to general knowledge; 2) Fine-grained World Knowledge, which tests the model's skill in reasoning out specific knowledge from images, showcasing their proficiency across various specialized fields; 3) Comprehensive Knowledge with Decision-making Rationales, which examines model's capability to provide logical explanations for its inference, facilitating a deeper analysis from the interpretability perspective. Additionally, we utilize a visual knowledge-enhanced training strategy and multimodal retrieval-augmented generation approach to enhance MLMs, highlighting the future need for advancements in this research direction. Extensive experiments indicate that: a) GPT-4V demonstrates enhanced explanation generation when using composite images as few-shots; b) GPT-4V and other MLMs produce severe hallucinations when dealing with world knowledge; c) Visual knowledge enhanced training and prompting technicals present potential to improve performance. Codes: https://github.com/HITsz-TMG/Cognitive-Visual-Language-Mapper

  • 8 authors
·
Nov 13, 2023

ChroKnowledge: Unveiling Chronological Knowledge of Language Models in Multiple Domains

Large language models (LLMs) have significantly impacted many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the accumulative nature of knowledge, often relying on a single time stamp. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating and updating LLMs' non-parametric chronological knowledge. Our evaluation shows: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that our framework successfully updates the overall knowledge across the entire timeline in both the biomedical domain (+11.9%) and the general domain (+2.8%), demonstrating its effectiveness in refining temporal knowledge. This non-parametric approach also enables knowledge updates not only in open-source models but also in proprietary LLMs, ensuring comprehensive applicability across model types. We perform a comprehensive analysis based on temporal characteristics of ChroKnowPrompt and validate the potential of various models to elicit intrinsic temporal knowledge through our method.

  • 6 authors
·
Oct 13, 2024 3

MolFM: A Multimodal Molecular Foundation Model

Molecular knowledge resides within three different modalities of information sources: molecular structures, biomedical documents, and knowledge bases. Effective incorporation of molecular knowledge from these modalities holds paramount significance in facilitating biomedical research. However, existing multimodal molecular foundation models exhibit limitations in capturing intricate connections between molecular structures and texts, and more importantly, none of them attempt to leverage a wealth of molecular expertise derived from knowledge graphs. In this study, we introduce MolFM, a multimodal molecular foundation model designed to facilitate joint representation learning from molecular structures, biomedical texts, and knowledge graphs. We propose cross-modal attention between atoms of molecular structures, neighbors of molecule entities and semantically related texts to facilitate cross-modal comprehension. We provide theoretical analysis that our cross-modal pre-training captures local and global molecular knowledge by minimizing the distance in the feature space between different modalities of the same molecule, as well as molecules sharing similar structures or functions. MolFM achieves state-of-the-art performance on various downstream tasks. On cross-modal retrieval, MolFM outperforms existing models with 12.13% and 5.04% absolute gains under the zero-shot and fine-tuning settings, respectively. Furthermore, qualitative analysis showcases MolFM's implicit ability to provide grounding from molecular substructures and knowledge graphs. Code and models are available on https://github.com/BioFM/OpenBioMed.

  • 5 authors
·
Jun 6, 2023

There Will Be a Scientific Theory of Deep Learning

In this paper, we make the case that a scientific theory of deep learning is emerging. By this we mean a theory which characterizes important properties and statistics of the training process, hidden representations, final weights, and performance of neural networks. We pull together major strands of ongoing research in deep learning theory and identify five growing bodies of work that point toward such a theory: (a) solvable idealized settings that provide intuition for learning dynamics in realistic systems; (b) tractable limits that reveal insights into fundamental learning phenomena; (c) simple mathematical laws that capture important macroscopic observables; (d) theories of hyperparameters that disentangle them from the rest of the training process, leaving simpler systems behind; and (e) universal behaviors shared across systems and settings which clarify which phenomena call for explanation. Taken together, these bodies of work share certain broad traits: they are concerned with the dynamics of the training process; they primarily seek to describe coarse aggregate statistics; and they emphasize falsifiable quantitative predictions. We argue that the emerging theory is best thought of as a mechanics of the learning process, and suggest the name learning mechanics. We discuss the relationship between this mechanics perspective and other approaches for building a theory of deep learning, including the statistical and information-theoretic perspectives. In particular, we anticipate a symbiotic relationship between learning mechanics and mechanistic interpretability. We also review and address common arguments that fundamental theory will not be possible or is not important. We conclude with a portrait of important open directions in learning mechanics and advice for beginners. We host further introductory materials, perspectives, and open questions at learningmechanics.pub.

  • 14 authors
·
Apr 22 1

Cognitio Emergens: Agency, Dimensions, and Dynamics in Human-AI Knowledge Co-Creation

Scientific knowledge creation is fundamentally transforming as humans and AI systems evolve beyond tool-user relationships into co-evolutionary epistemic partnerships. When AlphaFold revolutionized protein structure prediction, researchers described engaging with an epistemic partner that reshaped how they conceptualized fundamental relationships. This article introduces Cognitio Emergens (CE), a framework addressing critical limitations in existing models that focus on static roles or narrow metrics while failing to capture how scientific understanding emerges through recursive human-AI interaction over time. CE integrates three components addressing these limitations: Agency Configurations describing how authority distributes between humans and AI (Directed, Contributory, Partnership), with partnerships dynamically oscillating between configurations rather than following linear progression; Epistemic Dimensions capturing six specific capabilities emerging through collaboration across Discovery, Integration, and Projection axes, creating distinctive "capability signatures" that guide development; and Partnership Dynamics identifying forces shaping how these relationships evolve, particularly the risk of epistemic alienation where researchers lose interpretive control over knowledge they formally endorse. Drawing from autopoiesis theory, social systems theory, and organizational modularity, CE reveals how knowledge co-creation emerges through continuous negotiation of roles, values, and organizational structures. By reconceptualizing human-AI scientific collaboration as fundamentally co-evolutionary, CE offers a balanced perspective that neither uncritically celebrates nor unnecessarily fears AI's evolving role, instead providing conceptual tools for cultivating partnerships that maintain meaningful human participation while enabling transformative scientific breakthroughs.

  • 1 authors
·
May 5, 2025 1

CREAK: A Dataset for Commonsense Reasoning over Entity Knowledge

Most benchmark datasets targeting commonsense reasoning focus on everyday scenarios: physical knowledge like knowing that you could fill a cup under a waterfall [Talmor et al., 2019], social knowledge like bumping into someone is awkward [Sap et al., 2019], and other generic situations. However, there is a rich space of commonsense inferences anchored to knowledge about specific entities: for example, deciding the truthfulness of a claim "Harry Potter can teach classes on how to fly on a broomstick." Can models learn to combine entity knowledge with commonsense reasoning in this fashion? We introduce CREAK, a testbed for commonsense reasoning about entity knowledge, bridging fact-checking about entities (Harry Potter is a wizard and is skilled at riding a broomstick) with commonsense inferences (if you're good at a skill you can teach others how to do it). Our dataset consists of 13k human-authored English claims about entities that are either true or false, in addition to a small contrast set. Crowdworkers can easily come up with these statements and human performance on the dataset is high (high 90s); we argue that models should be able to blend entity knowledge and commonsense reasoning to do well here. In our experiments, we focus on the closed-book setting and observe that a baseline model finetuned on existing fact verification benchmark struggles on CREAK. Training a model on CREAK improves accuracy by a substantial margin, but still falls short of human performance. Our benchmark provides a unique probe into natural language understanding models, testing both its ability to retrieve facts (e.g., who teaches at the University of Chicago?) and unstated commonsense knowledge (e.g., butlers do not yell at guests).

  • 4 authors
·
Sep 3, 2021

Seamless and Efficient Interactions within a Mixed-Dimensional Information Space

Mediated by today's visual displays, information space allows users to discover, access and interact with a wide range of digital and physical information. The information presented in this space may be digital, physical or a blend of both, and appear across different dimensions - such as texts, images, 3D content and physical objects embedded within real-world environment. Navigating within the information space often involves interacting with mixed-dimensional entities, visually represented in both 2D and 3D. At times, interactions also involve transitioning among entities represented in different dimensions. We introduce the concept of mixed-dimensional information space, encompassing entities represented in both 2D and 3D. Interactions within the mixed-dimensional information space should be seamless and efficient: users should be able to focus on their primary tasks without being distracted by interactions with or transitions between entities. While incorporating 3D representations into the mixed-dimensional information space offers intuitive and immersive ways to interact with complex information, it is important to address potential seams and inefficiencies that arise while interacting with both 2D and 3D entities. This dissertation introduces new interactive techniques and systems to realize seamless and efficient interactions within the mixed-dimensional information space. This dissertation introduces three interactive systems: MemoVis which aims to use emergent generative AI to help users create reference images for 3D design feedback; PaperToPlace which demonstrates how paper-based instruction documents can be transformed and spatialized into a context-aware MR experience; and VRContour which explores how contour delineation workflow can be brought into VR.

  • 1 authors
·
Jun 4, 2025

Cognitive Castes: Artificial Intelligence, Epistemic Stratification, and the Dissolution of Democratic Discourse

Artificial intelligence functions not as an epistemic leveller, but as an accelerant of cognitive stratification, entrenching and formalising informational castes within liberal-democratic societies. Synthesising formal epistemology, political theory, algorithmic architecture, and economic incentive structures, the argument traces how contemporary AI systems selectively amplify the reasoning capacity of individuals equipped with recursive abstraction, symbolic logic, and adversarial interrogation, whilst simultaneously pacifying the cognitively untrained through engagement-optimised interfaces. Fluency replaces rigour, immediacy displaces reflection, and procedural reasoning is eclipsed by reactive suggestion. The result is a technocratic realignment of power: no longer grounded in material capital alone, but in the capacity to navigate, deconstruct, and manipulate systems of epistemic production. Information ceases to be a commons; it becomes the substrate through which consent is manufactured and autonomy subdued. Deliberative democracy collapses not through censorship, but through the erosion of interpretive agency. The proposed response is not technocratic regulation, nor universal access, but the reconstruction of rational autonomy as a civic mandate, codified in education, protected by epistemic rights, and structurally embedded within open cognitive infrastructure.

  • 1 authors
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Jul 16, 2025

COMET-ATOMIC 2020: On Symbolic and Neural Commonsense Knowledge Graphs

Recent years have brought about a renewed interest in commonsense representation and reasoning in the field of natural language understanding. The development of new commonsense knowledge graphs (CSKG) has been central to these advances as their diverse facts can be used and referenced by machine learning models for tackling new and challenging tasks. At the same time, there remain questions about the quality and coverage of these resources due to the massive scale required to comprehensively encompass general commonsense knowledge. In this work, we posit that manually constructed CSKGs will never achieve the coverage necessary to be applicable in all situations encountered by NLP agents. Therefore, we propose a new evaluation framework for testing the utility of KGs based on how effectively implicit knowledge representations can be learned from them. With this new goal, we propose ATOMIC 2020, a new CSKG of general-purpose commonsense knowledge containing knowledge that is not readily available in pretrained language models. We evaluate its properties in comparison with other leading CSKGs, performing the first large-scale pairwise study of commonsense knowledge resources. Next, we show that ATOMIC 2020 is better suited for training knowledge models that can generate accurate, representative knowledge for new, unseen entities and events. Finally, through human evaluation, we show that the few-shot performance of GPT-3 (175B parameters), while impressive, remains ~12 absolute points lower than a BART-based knowledge model trained on ATOMIC 2020 despite using over 430x fewer parameters.

  • 7 authors
·
Dec 15, 2021

Understanding Biology in the Age of Artificial Intelligence

Modern life sciences research is increasingly relying on artificial intelligence approaches to model biological systems, primarily centered around the use of machine learning (ML) models. Although ML is undeniably useful for identifying patterns in large, complex data sets, its widespread application in biological sciences represents a significant deviation from traditional methods of scientific inquiry. As such, the interplay between these models and scientific understanding in biology is a topic with important implications for the future of scientific research, yet it is a subject that has received little attention. Here, we draw from an epistemological toolkit to contextualize recent applications of ML in biological sciences under modern philosophical theories of understanding, identifying general principles that can guide the design and application of ML systems to model biological phenomena and advance scientific knowledge. We propose that conceptions of scientific understanding as information compression, qualitative intelligibility, and dependency relation modelling provide a useful framework for interpreting ML-mediated understanding of biological systems. Through a detailed analysis of two key application areas of ML in modern biological research - protein structure prediction and single cell RNA-sequencing - we explore how these features have thus far enabled ML systems to advance scientific understanding of their target phenomena, how they may guide the development of future ML models, and the key obstacles that remain in preventing ML from achieving its potential as a tool for biological discovery. Consideration of the epistemological features of ML applications in biology will improve the prospects of these methods to solve important problems and advance scientific understanding of living systems.

  • 9 authors
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Mar 6, 2024

Addendum to Research MMMCV; A Man/Microbio/Megabio/Computer Vision

In October 2007, a Research Proposal for the University of Sydney, Australia, the author suggested that biovie-physical phenomenon as `electrodynamic dependant biological vision', is governed by relativistic quantum laws and biovision. The phenomenon on the basis of `biovielectroluminescence', satisfies man/microbio/megabio/computer vision (MMMCV), as a robust candidate for physical and visual sciences. The general aim of this addendum is to present a refined text of Sections 1-3 of that proposal and highlighting the contents of its Appendix in form of a `Mechanisms' Section. We then briefly remind in an article aimed for December 2007, by appending two more equations into Section 3, a theoretical II-time scenario as a time model well-proposed for the phenomenon. The time model within the core of the proposal, plays a significant role in emphasizing the principle points on Objectives no. 1-8, Sub-hypothesis 3.1.2, mentioned in Article [arXiv:0710.0410]. It also expresses the time concept in terms of causing quantized energy f(|E|) of time |t|, emit in regard to shortening the probability of particle loci as predictable patterns of particle's un-occurred motion, a solution to Heisenberg's uncertainty principle (HUP) into a simplistic manner. We conclude that, practical frames via a time algorithm to this model, fixates such predictable patterns of motion of scenery bodies onto recordable observation points of a MMMCV system. It even suppresses/predicts superposition phenomena coming from a human subject and/or other bio-subjects for any decision making event, e.g., brainwave quantum patterns based on vision. Maintaining the existential probability of Riemann surfaces of II-time scenarios in the context of biovielectroluminescence, makes motion-prediction a possibility.

  • 1 authors
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Nov 6, 2007

The Law of Knowledge Overshadowing: Towards Understanding, Predicting, and Preventing LLM Hallucination

Hallucination is a persistent challenge in large language models (LLMs), where even with rigorous quality control, models often generate distorted facts. This paradox, in which error generation continues despite high-quality training data, calls for a deeper understanding of the underlying LLM mechanisms. To address it, we propose a novel concept: knowledge overshadowing, where model's dominant knowledge can obscure less prominent knowledge during text generation, causing the model to fabricate inaccurate details. Building on this idea, we introduce a novel framework to quantify factual hallucinations by modeling knowledge overshadowing. Central to our approach is the log-linear law, which predicts that the rate of factual hallucination increases linearly with the logarithmic scale of (1) Knowledge Popularity, (2) Knowledge Length, and (3) Model Size. The law provides a means to preemptively quantify hallucinations, offering foresight into their occurrence even before model training or inference. Built on overshadowing effect, we propose a new decoding strategy CoDa, to mitigate hallucinations, which notably enhance model factuality on Overshadow (27.9%), MemoTrap (13.1%) and NQ-Swap (18.3%). Our findings not only deepen understandings of the underlying mechanisms behind hallucinations but also provide actionable insights for developing more predictable and controllable language models.

  • 11 authors
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Feb 22, 2025

CooK: Empowering General-Purpose Language Models with Modular and Collaborative Knowledge

Large language models (LLMs) are increasingly adopted for knowledge-intensive tasks and contexts. Existing approaches improve the knowledge capabilities of general-purpose LLMs through retrieval or generated knowledge prompting, but they fall short of reflecting two key properties of knowledge-rich models: knowledge should be modular, ever-growing, sourced from diverse domains; knowledge acquisition and production should be a collaborative process, where diverse stakeholders contribute new information. To this end, we propose CooK, a novel framework to empower general-purpose large language models with modular and collaboratively sourced knowledge. We first introduce specialized language models, autoregressive models trained on corpora from a wide range of domains and sources. These specialized LMs serve as parametric knowledge repositories that are later prompted to generate background knowledge for general-purpose LLMs. We then propose three knowledge filters to dynamically select and retain information in generated documents by controlling for relevance, brevity, and factuality. Finally, we propose bottom-up and top-down knowledge integration approaches to augment general-purpose LLMs with the curated (relevant, factual) knowledge from community-driven specialized LMs that enable multi-domain knowledge synthesis and on-demand knowledge requests. Through extensive experiments, we demonstrate that CooK achieves state-of-the-art performance on six benchmark datasets. Our results highlight the potential of enriching general-purpose LLMs with evolving and modular knowledge -- relevant knowledge that can be continuously updated through the collective efforts of the research community.

  • 6 authors
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May 17, 2023

The Trilemma of Truth in Large Language Models

We often attribute human characteristics to large language models (LLMs) and claim that they "know" certain things. LLMs have an internal probabilistic knowledge that represents information retained during training. How can we assess the veracity of this knowledge? We examine two common methods for probing the veracity of LLMs and discover several assumptions that are flawed. To address these flawed assumptions, we introduce sAwMIL (short for Sparse Aware Multiple-Instance Learning), a probing method that utilizes the internal activations of LLMs to separate statements into true, false, and neither. sAwMIL is based on multiple-instance learning and conformal prediction. We evaluate sAwMIL on 5 validity criteria across 16 open-source LLMs, including both default and chat-based variants, as well as on 3 new datasets. Among the insights we provide are: (1) the veracity signal is often concentrated in the third quarter of an LLM's depth; (2) truth and falsehood signals are not always symmetric; (3) linear probes perform better on chat models than on default models; (4) nonlinear probes may be required to capture veracity signals for some LLMs with reinforcement learning from human feedback or knowledge distillation; and (5) LLMs capture a third type of signal that is distinct from true and false and is neither true nor false. These findings provide a reliable method for verifying what LLMs "know" and how certain they are of their probabilistic internal knowledge.

  • 2 authors
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Jun 30, 2025 1

Benchmarking Knowledge-driven Zero-shot Learning

External knowledge (a.k.a. side information) plays a critical role in zero-shot learning (ZSL) which aims to predict with unseen classes that have never appeared in training data. Several kinds of external knowledge, such as text and attribute, have been widely investigated, but they alone are limited with incomplete semantics. Some very recent studies thus propose to use Knowledge Graph (KG) due to its high expressivity and compatibility for representing kinds of knowledge. However, the ZSL community is still in short of standard benchmarks for studying and comparing different external knowledge settings and different KG-based ZSL methods. In this paper, we proposed six resources covering three tasks, i.e., zero-shot image classification (ZS-IMGC), zero-shot relation extraction (ZS-RE), and zero-shot KG completion (ZS-KGC). Each resource has a normal ZSL benchmark and a KG containing semantics ranging from text to attribute, from relational knowledge to logical expressions. We have clearly presented these resources including their construction, statistics, data formats and usage cases w.r.t. different ZSL methods. More importantly, we have conducted a comprehensive benchmarking study, with two general and state-of-the-art methods, two setting-specific methods and one interpretable method. We discussed and compared different ZSL paradigms w.r.t. different external knowledge settings, and found that our resources have great potential for developing more advanced ZSL methods and more solutions for applying KGs for augmenting machine learning. All the resources are available at https://github.com/China-UK-ZSL/Resources_for_KZSL.

  • 8 authors
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Jun 28, 2021

SE-Bench: Benchmarking Self-Evolution with Knowledge Internalization

True self-evolution requires agents to act as lifelong learners that internalize novel experiences to solve future problems. However, rigorously measuring this foundational capability is hindered by two obstacles: the entanglement of prior knowledge, where ``new'' knowledge may appear in pre-training data, and the entanglement of reasoning complexity, where failures may stem from problem difficulty rather than an inability to recall learned knowledge. We introduce SE-Bench, a diagnostic environment that obfuscates the NumPy library and its API doc into a pseudo-novel package with randomized identifiers. Agents are trained to internalize this package and evaluated on simple coding tasks without access to documentation, yielding a clean setting where tasks are trivial with the new API doc but impossible for base models without it. Our investigation reveals three insights: (1) the Open-Book Paradox, where training with reference documentation inhibits retention, requiring "Closed-Book Training" to force knowledge compression into weights; (2) the RL Gap, where standard RL fails to internalize new knowledge completely due to PPO clipping and negative gradients; and (3) the viability of Self-Play for internalization, proving models can learn from self-generated, noisy tasks when coupled with SFT, but not RL. Overall, SE-Bench establishes a rigorous diagnostic platform for self-evolution with knowledge internalization. Our code and dataset can be found at https://github.com/thunlp/SE-Bench.

  • 6 authors
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Feb 4 2

NeuroComparatives: Neuro-Symbolic Distillation of Comparative Knowledge

Comparative knowledge (e.g., steel is stronger and heavier than styrofoam) is an essential component of our world knowledge, yet understudied in prior literature. In this paper, we harvest the dramatic improvements in knowledge capabilities of language models into a large-scale comparative knowledge base. While the ease of acquisition of such comparative knowledge is much higher from extreme-scale models like GPT-4, compared to their considerably smaller and weaker counterparts such as GPT-2, not even the most powerful models are exempt from making errors. We thus ask: to what extent are models at different scales able to generate valid and diverse comparative knowledge? We introduce NeuroComparatives, a novel framework for comparative knowledge distillation overgenerated from language models such as GPT-variants and LLaMA, followed by stringent filtering of the generated knowledge. Our framework acquires comparative knowledge between everyday objects, producing a corpus of up to 8.8M comparisons over 1.74M entity pairs - 10X larger and 30% more diverse than existing resources. Moreover, human evaluations show that NeuroComparatives outperform existing resources in terms of validity (up to 32% absolute improvement). Our acquired NeuroComparatives leads to performance improvements on five downstream tasks. We find that neuro-symbolic manipulation of smaller models offers complementary benefits to the currently dominant practice of prompting extreme-scale language models for knowledge distillation.

  • 6 authors
·
May 8, 2023

Digital Gene: Learning about the Physical World through Analytic Concepts

Reviewing the progress in artificial intelligence over the past decade, various significant advances (e.g. object detection, image generation, large language models) have enabled AI systems to produce more semantically meaningful outputs and achieve widespread adoption in internet scenarios. Nevertheless, AI systems still struggle when it comes to understanding and interacting with the physical world. This reveals an important issue: relying solely on semantic-level concepts learned from internet data (e.g. texts, images) to understand the physical world is far from sufficient -- machine intelligence currently lacks an effective way to learn about the physical world. This research introduces the idea of analytic concept -- representing the concepts related to the physical world through programs of mathematical procedures, providing machine intelligence a portal to perceive, reason about, and interact with the physical world. Except for detailing the design philosophy and providing guidelines for the application of analytic concepts, this research also introduce about the infrastructure that has been built around analytic concepts. I aim for my research to contribute to addressing these questions: What is a proper abstraction of general concepts in the physical world for machine intelligence? How to systematically integrate structured priors with neural networks to constrain AI systems to comply with physical laws?

  • 2 authors
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Apr 5, 2025

Science Hierarchography: Hierarchical Organization of Science Literature

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

  • 4 authors
·
Apr 18, 2025

GraphAgents: Knowledge Graph-Guided Agentic AI for Cross-Domain Materials Design

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials science, where innovation demands integrating concepts from molecular chemistry to mechanical performance, this is especially acute. Neither humans nor single-agent LLMs can fully contend with this torrent of information, with the latter often prone to hallucinations. To address this bottleneck, we introduce a multi-agent framework guided by large-scale knowledge graphs to find sustainable substitutes for per- and polyfluoroalkyl substances (PFAS)-chemicals currently under intense regulatory scrutiny. Agents in the framework specialize in problem decomposition, evidence retrieval, design parameter extraction, and graph traversal, uncovering latent connections across distinct knowledge pockets to support hypothesis generation. Ablation studies show that the full multi-agent pipeline outperforms single-shot prompting, underscoring the value of distributed specialization and relational reasoning. We demonstrate that by tailoring graph traversal strategies, the system alternates between exploitative searches focusing on domain-critical outcomes and exploratory searches surfacing emergent cross-connections. Illustrated through the exemplar of biomedical tubing, the framework generates sustainable PFAS-free alternatives that balance tribological performance, thermal stability, chemical resistance, and biocompatibility. This work establishes a framework combining knowledge graphs with multi-agent reasoning to expand the materials design space, showcasing several initial design candidates to demonstrate the approach.

Physics of Language Models: Part 3.1, Knowledge Storage and Extraction

Large language models (LLMs) can store a vast amount of world knowledge, often extractable via question-answering (e.g., "What is Abraham Lincoln's birthday?"). However, do they answer such questions based on exposure to similar questions during training (i.e., cheating), or by genuinely learning to extract knowledge from sources like Wikipedia? In this paper, we investigate this issue using a controlled biography dataset. We find a strong correlation between the model's ability to extract knowledge and various diversity measures of the training data. Essentially, for knowledge to be reliably extracted, it must be sufficiently augmented (e.g., through paraphrasing, sentence shuffling) during pretraining. Without such augmentation, knowledge may be memorized but not extractable, leading to 0% accuracy, regardless of subsequent instruction fine-tuning. To understand why this occurs, we employ (nearly) linear probing to demonstrate a strong connection between the observed correlation and how the model internally encodes knowledge -- whether it is linearly encoded in the hidden embeddings of entity names or distributed across other token embeddings in the training text. This paper provides several key recommendations for LLM pretraining in the industry: (1) rewrite the pretraining data -- using small, auxiliary models -- to provide knowledge augmentation, and (2) incorporate more instruction-finetuning data into the pretraining stage before it becomes too late.

  • 2 authors
·
Sep 25, 2023

The Blueprints of Intelligence: A Functional-Topological Foundation for Perception and Representation

Real-world phenomena do not generate arbitrary variability: their signals concentrate on compact, low-variability subsets of functional space, enabling rapid generalization from few examples. A small child can recognize a dog after extremely limited exposure because the perceptual manifold of "dog" is compact, structured, and low-dimensional. We formalize this principle through a deterministic functional-topological framework in which the set of valid realizations produced by a physical process forms a compact subset of a Banach space, endowed with stable invariants, a finite Hausdorff radius, and an induced continuous perceptual functional. This geometry provides explicit limits on knowledge, conditions for identifiability, and guarantees for generalization from sparse evidence -- properties fundamental to both natural and artificial intelligence. Across electromechanical, electrochemical, and physiological domains, we show that real-world processes consistently generate compact perceptual manifolds with the same geometric characteristics. Their boundaries can be discovered in a fully self-supervised manner as the empirical radius saturates with increasing sampling, even when the governing equations are unknown. These results demonstrate that deterministic functional topology offers a unified mathematical foundation for perception, representation, and world-model construction. It provides a geometric explanation for why biological learners and self-supervised AI systems can generalize from few observations, and establishes compact perceptual manifolds as a fundamental building block for future AI architectures. Finally, this work unifies biological perception and modern self-supervised models under a single geometric principle: both derive their generalization ability from the compactness and invariants of real-world perceptual manifolds.

  • 1 authors
·
Dec 4, 2025

KORE: Enhancing Knowledge Injection for Large Multimodal Models via Knowledge-Oriented Augmentations and Constraints

Large Multimodal Models encode extensive factual knowledge in their pre-trained weights. However, its knowledge remains static and limited, unable to keep pace with real-world developments, which hinders continuous knowledge acquisition. Effective knowledge injection thus becomes critical, involving two goals: knowledge adaptation (injecting new knowledge) and knowledge retention (preserving old knowledge). Existing methods often struggle to learn new knowledge and suffer from catastrophic forgetting. To address this, we propose KORE, a synergistic method of KnOwledge-oRientEd augmentations and constraints for injecting new knowledge into large multimodal models while preserving old knowledge. Unlike general text or image data augmentation, KORE automatically converts individual knowledge items into structured and comprehensive knowledge to ensure that the model accurately learns new knowledge, enabling accurate adaptation. Meanwhile, KORE stores previous knowledge in the covariance matrix of LMM's linear layer activations and initializes the adapter by projecting the original weights into the matrix's null space, defining a fine-tuning direction that minimizes interference with previous knowledge, enabling powerful retention. Extensive experiments on various LMMs, including LLaVA-v1.5-7B, LLaVA-v1.5-13B, and Qwen2.5-VL-7B, show that KORE achieves superior new knowledge injection performance and effectively mitigates catastrophic forgetting.

  • 10 authors
·
Oct 22, 2025 3

Web-CogReasoner: Towards Knowledge-Induced Cognitive Reasoning for Web Agents

Multimodal large-scale models have significantly advanced the development of web agents, enabling perception and interaction with digital environments akin to human cognition. In this paper, we argue that web agents must first acquire sufficient knowledge to effectively engage in cognitive reasoning. Therefore, we decompose a web agent's capabilities into two essential stages: knowledge content learning and cognitive processes. To formalize this, we propose Web-CogKnowledge Framework, categorizing knowledge as Factual, Conceptual, and Procedural. In this framework, knowledge content learning corresponds to the agent's processes of Memorizing and Understanding, which rely on the first two knowledge types, representing the "what" of learning. Conversely, cognitive processes correspond to Exploring, grounded in Procedural knowledge, defining the "how" of reasoning and action. To facilitate knowledge acquisition, we construct the Web-CogDataset, a structured resource curated from 14 real-world websites, designed to systematically instill core knowledge necessary for web agent. This dataset serves as the agent's conceptual grounding-the "nouns" upon which comprehension is built-as well as the basis for learning how to reason and act. Building on this foundation, we operationalize these processes through a novel knowledge-driven Chain-of-Thought (CoT) reasoning framework, developing and training our proposed agent, the Web-CogReasoner. Extensive experimentation reveals its significant superiority over existing models, especially in generalizing to unseen tasks where structured knowledge is decisive. To enable rigorous evaluation, we introduce the Web-CogBench, a comprehensive evaluation suite designed to assess and compare agent performance across the delineated knowledge domains and cognitive capabilities. Our code and data is open sourced at https://github.com/Gnonymous/Web-CogReasoner

  • 15 authors
·
Aug 3, 2025 2

Harnessing Large Language Models for Knowledge Graph Question Answering via Adaptive Multi-Aspect Retrieval-Augmentation

Large Language Models (LLMs) demonstrate remarkable capabilities, yet struggle with hallucination and outdated knowledge when tasked with complex knowledge reasoning, resulting in factually incorrect outputs. Previous studies have attempted to mitigate it by retrieving factual knowledge from large-scale knowledge graphs (KGs) to assist LLMs in logical reasoning and prediction of answers. However, this kind of approach often introduces noise and irrelevant data, especially in situations with extensive context from multiple knowledge aspects. In this way, LLM attention can be potentially mislead from question and relevant information. In our study, we introduce an Adaptive Multi-Aspect Retrieval-augmented over KGs (Amar) framework. This method retrieves knowledge including entities, relations, and subgraphs, and converts each piece of retrieved text into prompt embeddings. The Amar framework comprises two key sub-components: 1) a self-alignment module that aligns commonalities among entities, relations, and subgraphs to enhance retrieved text, thereby reducing noise interference; 2) a relevance gating module that employs a soft gate to learn the relevance score between question and multi-aspect retrieved data, to determine which information should be used to enhance LLMs' output, or even filtered altogether. Our method has achieved state-of-the-art performance on two common datasets, WebQSP and CWQ, showing a 1.9\% improvement in accuracy over its best competitor and a 6.6\% improvement in logical form generation over a method that directly uses retrieved text as context prompts. These results demonstrate the effectiveness of Amar in improving the reasoning of LLMs.

  • 10 authors
·
Dec 24, 2024

Kuaipedia: a Large-scale Multi-modal Short-video Encyclopedia

Online encyclopedias, such as Wikipedia, have been well-developed and researched in the last two decades. One can find any attributes or other information of a wiki item on a wiki page edited by a community of volunteers. However, the traditional text, images and tables can hardly express some aspects of an wiki item. For example, when we talk about ``Shiba Inu'', one may care more about ``How to feed it'' or ``How to train it not to protect its food''. Currently, short-video platforms have become a hallmark in the online world. Whether you're on TikTok, Instagram, Kuaishou, or YouTube Shorts, short-video apps have changed how we consume and create content today. Except for producing short videos for entertainment, we can find more and more authors sharing insightful knowledge widely across all walks of life. These short videos, which we call knowledge videos, can easily express any aspects (e.g. hair or how-to-feed) consumers want to know about an item (e.g. Shiba Inu), and they can be systematically analyzed and organized like an online encyclopedia. In this paper, we propose Kuaipedia, a large-scale multi-modal encyclopedia consisting of items, aspects, and short videos lined to them, which was extracted from billions of videos of Kuaishou (Kwai), a well-known short-video platform in China. We first collected items from multiple sources and mined user-centered aspects from millions of users' queries to build an item-aspect tree. Then we propose a new task called ``multi-modal item-aspect linking'' as an expansion of ``entity linking'' to link short videos into item-aspect pairs and build the whole short-video encyclopedia. Intrinsic evaluations show that our encyclopedia is of large scale and highly accurate. We also conduct sufficient extrinsic experiments to show how Kuaipedia can help fundamental applications such as entity typing and entity linking.

  • 8 authors
·
Oct 28, 2022

ReSee: Responding through Seeing Fine-grained Visual Knowledge in Open-domain Dialogue

Incorporating visual knowledge into text-only dialogue systems has become a potential direction to imitate the way humans think, imagine, and communicate. However, existing multimodal dialogue systems are either confined by the scale and quality of available datasets or the coarse concept of visual knowledge. To address these issues, we provide a new paradigm of constructing multimodal dialogues as well as two datasets extended from text-only dialogues under such paradigm (ReSee-WoW, ReSee-DD). We propose to explicitly split the visual knowledge into finer granularity (``turn-level'' and ``entity-level''). To further boost the accuracy and diversity of augmented visual information, we retrieve them from the Internet or a large image dataset. To demonstrate the superiority and universality of the provided visual knowledge, we propose a simple but effective framework ReSee to add visual representation into vanilla dialogue models by modality concatenations. We also conduct extensive experiments and ablations w.r.t. different model configurations and visual knowledge settings. Empirical, encouraging results not only demonstrate the effectiveness of introducing visual knowledge at both entity and turn level but also verify the proposed model ReSee outperforms several state-of-the-art methods on automatic and human evaluations. By leveraging text and vision knowledge, ReSee can produce informative responses with real-world visual concepts. Our code is available at https://github.com/ImKeTT/ReSee.

  • 4 authors
·
May 22, 2023

Multi-Stage Knowledge Integration of Vision-Language Models for Continual Learning

Vision Language Models (VLMs), pre-trained on large-scale image-text datasets, enable zero-shot predictions for unseen data but may underperform on specific unseen tasks. Continual learning (CL) can help VLMs effectively adapt to new data distributions without joint training, but faces challenges of catastrophic forgetting and generalization forgetting. Although significant progress has been achieved by distillation-based methods, they exhibit two severe limitations. One is the popularly adopted single-teacher paradigm fails to impart comprehensive knowledge, The other is the existing methods inadequately leverage the multimodal information in the original training dataset, instead they rely on additional data for distillation, which increases computational and storage overhead. To mitigate both limitations, by drawing on Knowledge Integration Theory (KIT), we propose a Multi-Stage Knowledge Integration network (MulKI) to emulate the human learning process in distillation methods. MulKI achieves this through four stages, including Eliciting Ideas, Adding New Ideas, Distinguishing Ideas, and Making Connections. During the four stages, we first leverage prototypes to align across modalities, eliciting cross-modal knowledge, then adding new knowledge by constructing fine-grained intra- and inter-modality relationships with prototypes. After that, knowledge from two teacher models is adaptively distinguished and re-weighted. Finally, we connect between models from intra- and inter-task, integrating preceding and new knowledge. Our method demonstrates significant improvements in maintaining zero-shot capabilities while supporting continual learning across diverse downstream tasks, showcasing its potential in adapting VLMs to evolving data distributions.

  • 5 authors
·
Nov 11, 2024