Daily Papers

Analogical reasoning is at the core of human cognition, serving as an important foundation for a variety of intellectual activities. While prior work has shown that LLMs can represent task patterns and surface-level concepts, it remains unclear whether these models can encode high-level relational concepts and apply them to novel situations through structured comparisons. In this work, we explore this fundamental aspect using proportional and story analogies, and identify three key findings. First, LLMs effectively encode the underlying relationships between analogous entities; both attributive and relational information propagate through mid-upper layers in correct cases, whereas reasoning failures reflect missing relational information within these layers. Second, unlike humans, LLMs often struggle not only when relational information is missing, but also when attempting to apply it to new entities. In such cases, strategically patching hidden representations at critical token positions can facilitate information transfer to a certain extent. Lastly, successful analogical reasoning in LLMs is marked by strong structural alignment between analogous situations, whereas failures often reflect degraded or misplaced alignment. Overall, our findings reveal that LLMs exhibit emerging but limited capabilities in encoding and applying high-level relational concepts, highlighting both parallels and gaps with human cognition.

Memory-based neural networks model temporal data by leveraging an ability to remember information for long periods. It is unclear, however, whether they also have an ability to perform complex relational reasoning with the information they remember. Here, we first confirm our intuitions that standard memory architectures may struggle at tasks that heavily involve an understanding of the ways in which entities are connected -- i.e., tasks involving relational reasoning. We then improve upon these deficits by using a new memory module -- a Relational Memory Core (RMC) -- which employs multi-head dot product attention to allow memories to interact. Finally, we test the RMC on a suite of tasks that may profit from more capable relational reasoning across sequential information, and show large gains in RL domains (e.g. Mini PacMan), program evaluation, and language modeling, achieving state-of-the-art results on the WikiText-103, Project Gutenberg, and GigaWord datasets.

Relational reasoning is a central component of generally intelligent behavior, but has proven difficult for neural networks to learn. In this paper we describe how to use Relation Networks (RNs) as a simple plug-and-play module to solve problems that fundamentally hinge on relational reasoning. We tested RN-augmented networks on three tasks: visual question answering using a challenging dataset called CLEVR, on which we achieve state-of-the-art, super-human performance; text-based question answering using the bAbI suite of tasks; and complex reasoning about dynamic physical systems. Then, using a curated dataset called Sort-of-CLEVR we show that powerful convolutional networks do not have a general capacity to solve relational questions, but can gain this capacity when augmented with RNs. Our work shows how a deep learning architecture equipped with an RN module can implicitly discover and learn to reason about entities and their relations.

Large language models encapsulate knowledge and have demonstrated superior performance on various natural language processing tasks. Recent studies have localized this knowledge to specific model parameters, such as the MLP weights in intermediate layers. This study investigates the differences between entity and relational knowledge through knowledge editing. Our findings reveal that entity and relational knowledge cannot be directly transferred or mapped to each other. This result is unexpected, as logically, modifying the entity or the relation within the same knowledge triplet should yield equivalent outcomes. To further elucidate the differences between entity and relational knowledge, we employ causal analysis to investigate how relational knowledge is stored in pre-trained models. Contrary to prior research suggesting that knowledge is stored in MLP weights, our experiments demonstrate that relational knowledge is also significantly encoded in attention modules. This insight highlights the multifaceted nature of knowledge storage in language models, underscoring the complexity of manipulating specific types of knowledge within these models.

Artificial intelligence (AI) has undergone a renaissance recently, making major progress in key domains such as vision, language, control, and decision-making. This has been due, in part, to cheap data and cheap compute resources, which have fit the natural strengths of deep learning. However, many defining characteristics of human intelligence, which developed under much different pressures, remain out of reach for current approaches. In particular, generalizing beyond one's experiences--a hallmark of human intelligence from infancy--remains a formidable challenge for modern AI. The following is part position paper, part review, and part unification. We argue that combinatorial generalization must be a top priority for AI to achieve human-like abilities, and that structured representations and computations are key to realizing this objective. Just as biology uses nature and nurture cooperatively, we reject the false choice between "hand-engineering" and "end-to-end" learning, and instead advocate for an approach which benefits from their complementary strengths. We explore how using relational inductive biases within deep learning architectures can facilitate learning about entities, relations, and rules for composing them. We present a new building block for the AI toolkit with a strong relational inductive bias--the graph network--which generalizes and extends various approaches for neural networks that operate on graphs, and provides a straightforward interface for manipulating structured knowledge and producing structured behaviors. We discuss how graph networks can support relational reasoning and combinatorial generalization, laying the foundation for more sophisticated, interpretable, and flexible patterns of reasoning. As a companion to this paper, we have released an open-source software library for building graph networks, with demonstrations of how to use them in practice.

Transformer language models (LMs) have been shown to represent concepts as directions in the latent space of hidden activations. However, for any given human-interpretable concept, how can we find its direction in the latent space? We present a technique called linear relational concepts (LRC) for finding concept directions corresponding to human-interpretable concepts at a given hidden layer in a transformer LM by first modeling the relation between subject and object as a linear relational embedding (LRE). While the LRE work was mainly presented as an exercise in understanding model representations, we find that inverting the LRE while using earlier object layers results in a powerful technique to find concept directions that both work well as a classifier and causally influence model outputs.

In self-supervised learning, a system is tasked with achieving a surrogate objective by defining alternative targets on a set of unlabeled data. The aim is to build useful representations that can be used in downstream tasks, without costly manual annotation. In this work, we propose a novel self-supervised formulation of relational reasoning that allows a learner to bootstrap a signal from information implicit in unlabeled data. Training a relation head to discriminate how entities relate to themselves (intra-reasoning) and other entities (inter-reasoning), results in rich and descriptive representations in the underlying neural network backbone, which can be used in downstream tasks such as classification and image retrieval. We evaluate the proposed method following a rigorous experimental procedure, using standard datasets, protocols, and backbones. Self-supervised relational reasoning outperforms the best competitor in all conditions by an average 14% in accuracy, and the most recent state-of-the-art model by 3%. We link the effectiveness of the method to the maximization of a Bernoulli log-likelihood, which can be considered as a proxy for maximizing the mutual information, resulting in a more efficient objective with respect to the commonly used contrastive losses.

Large language models (LLMs) have shown remarkable performances across a wide range of tasks. However, the mechanisms by which these models encode tasks of varying complexities remain poorly understood. In this paper, we explore the hypothesis that LLMs process concepts of varying complexities in different layers, introducing the idea of "Concept Depth" to suggest that more complex concepts are typically acquired in deeper layers. Specifically, we categorize concepts based on their level of abstraction, defining them in the order of increasing complexity within factual, emotional, and inferential tasks. We conduct extensive probing experiments using layer-wise representations across various LLM families (Gemma, LLaMA, QWen) on various datasets spanning the three domains of tasks. Our findings reveal that models could efficiently conduct probing for simpler tasks in shallow layers, and more complex tasks typically necessitate deeper layers for accurate understanding. Additionally, we examine how external factors, such as adding noise to the input and quantizing the model weights, might affect layer-wise representations. Our findings suggest that these factors can impede the development of a conceptual understanding of LLMs until deeper layers are explored. We hope that our proposed concept and experimental insights will enhance the understanding of the mechanisms underlying LLMs. Our codes are available at https://github.com/Luckfort/CD.

With a view to bridging the gap between deep learning and symbolic AI, we present a novel end-to-end neural network architecture that learns to form propositional representations with an explicitly relational structure from raw pixel data. In order to evaluate and analyse the architecture, we introduce a family of simple visual relational reasoning tasks of varying complexity. We show that the proposed architecture, when pre-trained on a curriculum of such tasks, learns to generate reusable representations that better facilitate subsequent learning on previously unseen tasks when compared to a number of baseline architectures. The workings of a successfully trained model are visualised to shed some light on how the architecture functions.

This paper is concerned with learning to solve tasks that require a chain of interdependent steps of relational inference, like answering complex questions about the relationships between objects, or solving puzzles where the smaller elements of a solution mutually constrain each other. We introduce the recurrent relational network, a general purpose module that operates on a graph representation of objects. As a generalization of Santoro et al. [2017]'s relational network, it can augment any neural network model with the capacity to do many-step relational reasoning. We achieve state of the art results on the bAbI textual question-answering dataset with the recurrent relational network, consistently solving 20/20 tasks. As bAbI is not particularly challenging from a relational reasoning point of view, we introduce Pretty-CLEVR, a new diagnostic dataset for relational reasoning. In the Pretty-CLEVR set-up, we can vary the question to control for the number of relational reasoning steps that are required to obtain the answer. Using Pretty-CLEVR, we probe the limitations of multi-layer perceptrons, relational and recurrent relational networks. Finally, we show how recurrent relational networks can learn to solve Sudoku puzzles from supervised training data, a challenging task requiring upwards of 64 steps of relational reasoning. We achieve state-of-the-art results amongst comparable methods by solving 96.6% of the hardest Sudoku puzzles.

Relational reasoning lies at the core of many NLP tasks, drawing on complementary signals from text and graphs. While prior research has investigated how to leverage this dual complementarity, a detailed and systematic understanding of text-graph interplay and its effect on hybrid models remains underexplored. We take an analysis-driven approach to investigate text-graph representation complementarity via a unified architecture that supports knowledge co-distillation (CoD). We explore five tasks involving relational reasoning that differ in how text and graph structures encode the information needed to solve that task. By tracking how these dual representations evolve during training, we uncover interpretable patterns of alignment and divergence, and provide insights into when and why their integration is beneficial.

Humans do not just see attribute similarity -- we also see relational similarity. An apple is like a peach because both are reddish fruit, but the Earth is also like a peach: its crust, mantle, and core correspond to the peach's skin, flesh, and pit. This ability to perceive and recognize relational similarity, is arguable by cognitive scientist to be what distinguishes humans from other species. Yet, all widely used visual similarity metrics today (e.g., LPIPS, CLIP, DINO) focus solely on perceptual attribute similarity and fail to capture the rich, often surprising relational similarities that humans perceive. How can we go beyond the visible content of an image to capture its relational properties? How can we bring images with the same relational logic closer together in representation space? To answer these questions, we first formulate relational image similarity as a measurable problem: two images are relationally similar when their internal relations or functions among visual elements correspond, even if their visual attributes differ. We then curate 114k image-caption dataset in which the captions are anonymized -- describing the underlying relational logic of the scene rather than its surface content. Using this dataset, we finetune a Vision-Language model to measure the relational similarity between images. This model serves as the first step toward connecting images by their underlying relational structure rather than their visible appearance. Our study shows that while relational similarity has a lot of real-world applications, existing image similarity models fail to capture it -- revealing a critical gap in visual computing.

The ability to summarize and organize knowledge into abstract concepts is key to learning and reasoning. Many industrial applications rely on the consistent and systematic use of concepts, especially when dealing with decision-critical knowledge. However, we demonstrate that, when methodically questioned, large language models (LLMs) often display and demonstrate significant inconsistencies in their knowledge. Computationally, the basic aspects of the conceptualization of a given domain can be represented as Is-A hierarchies in a knowledge graph (KG) or ontology, together with a few properties or axioms that enable straightforward reasoning. We show that even simple ontologies can be used to reveal conceptual inconsistencies across several LLMs. We also propose strategies that domain experts can use to evaluate and improve the coverage of key domain concepts in LLMs of various sizes. In particular, we have been able to significantly enhance the performance of LLMs of various sizes with openly available weights using simple knowledge-graph (KG) based prompting strategies.

Pre-trained language models have been found to capture a surprisingly rich amount of lexical knowledge, ranging from commonsense properties of everyday concepts to detailed factual knowledge about named entities. Among others, this makes it possible to distill high-quality word vectors from pre-trained language models. However, it is currently unclear to what extent it is possible to distill relation embeddings, i.e. vectors that characterize the relationship between two words. Such relation embeddings are appealing because they can, in principle, encode relational knowledge in a more fine-grained way than is possible with knowledge graphs. To obtain relation embeddings from a pre-trained language model, we encode word pairs using a (manually or automatically generated) prompt, and we fine-tune the language model such that relationally similar word pairs yield similar output vectors. We find that the resulting relation embeddings are highly competitive on analogy (unsupervised) and relation classification (supervised) benchmarks, even without any task-specific fine-tuning. Source code to reproduce our experimental results and the model checkpoints are available in the following repository: https://github.com/asahi417/relbert

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

While Multimodal Large Language Models (MLLMs) excel on benchmarks, their processing paradigm differs from the human ability to integrate visual information. Unlike humans who naturally bridge details and high-level concepts, models tend to treat these elements in isolation. Prevailing evaluation protocols often decouple low-level perception from high-level reasoning, overlooking their semantic and causal dependencies, which yields non-diagnostic results and obscures performance bottlenecks. We present VCU-Bridge, a framework that operationalizes a human-like hierarchy of visual connotation understanding: multi-level reasoning that advances from foundational perception through semantic bridging to abstract connotation, with an explicit evidence-to-inference trace from concrete cues to abstract conclusions. Building on this framework, we construct HVCU-Bench, a benchmark for hierarchical visual connotation understanding with explicit, level-wise diagnostics. Comprehensive experiments demonstrate a consistent decline in performance as reasoning progresses to higher levels. We further develop a data generation pipeline for instruction tuning guided by Monte Carlo Tree Search (MCTS) and show that strengthening low-level capabilities yields measurable gains at higher levels. Interestingly, it not only improves on HVCU-Bench but also brings benefits on general benchmarks (average +2.53%), especially with substantial gains on MMStar (+7.26%), demonstrating the significance of the hierarchical thinking pattern and its effectiveness in enhancing MLLM capabilities. The project page is at https://vcu-bridge.github.io .

Foundation models in language and vision have the ability to run inference on any textual and visual inputs thanks to the transferable representations such as a vocabulary of tokens in language. Knowledge graphs (KGs) have different entity and relation vocabularies that generally do not overlap. The key challenge of designing foundation models on KGs is to learn such transferable representations that enable inference on any graph with arbitrary entity and relation vocabularies. In this work, we make a step towards such foundation models and present ULTRA, an approach for learning universal and transferable graph representations. ULTRA builds relational representations as a function conditioned on their interactions. Such a conditioning strategy allows a pre-trained ULTRA model to inductively generalize to any unseen KG with any relation vocabulary and to be fine-tuned on any graph. Conducting link prediction experiments on 57 different KGs, we find that the zero-shot inductive inference performance of a single pre-trained ULTRA model on unseen graphs of various sizes is often on par or better than strong baselines trained on specific graphs. Fine-tuning further boosts the performance.

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

Generative artificial intelligence (AI) systems based on large-scale pretrained foundation models (PFMs) such as vision-language models, large language models (LLMs), diffusion models and vision-language-action (VLA) models have demonstrated the ability to solve complex and truly non-trivial AI problems in a wide variety of domains and contexts. Multimodal large language models (MLLMs), in particular, learn from vast and diverse data sources, allowing rich and nuanced representations of the world and, thereby, providing extensive capabilities, including the ability to reason, engage in meaningful dialog; collaborate with humans and other agents to jointly solve complex problems; and understand social and emotional aspects of humans. Despite this impressive feat, the cognitive abilities of state-of-the-art LLMs trained on large-scale datasets are still superficial and brittle. Consequently, generic LLMs are severely limited in their generalist capabilities. A number of foundational problems -- embodiment, symbol grounding, causality and memory -- are required to be addressed for LLMs to attain human-level general intelligence. These concepts are more aligned with human cognition and provide LLMs with inherent human-like cognitive properties that support the realization of physically-plausible, semantically meaningful, flexible and more generalizable knowledge and intelligence. In this work, we discuss the aforementioned foundational issues and survey state-of-the art approaches for implementing these concepts in LLMs. Specifically, we discuss how the principles of embodiment, symbol grounding, causality and memory can be leveraged toward the attainment of artificial general intelligence (AGI) in an organic manner.

Understanding how semantic meaning is encoded in the representation spaces of large language models is a fundamental problem in interpretability. In this paper, we study the two foundational questions in this area. First, how are categorical concepts, such as {'mammal', 'bird', 'reptile', 'fish'}, represented? Second, how are hierarchical relations between concepts encoded? For example, how is the fact that 'dog' is a kind of 'mammal' encoded? We show how to extend the linear representation hypothesis to answer these questions. We find a remarkably simple structure: simple categorical concepts are represented as simplices, hierarchically related concepts are orthogonal in a sense we make precise, and (in consequence) complex concepts are represented as polytopes constructed from direct sums of simplices, reflecting the hierarchical structure. We validate these theoretical results on the Gemma large language model, estimating representations for 957 hierarchically related concepts using data from WordNet.

Embedding-based methods for reasoning in knowledge hypergraphs learn a representation for each entity and relation. Current methods do not capture the procedural rules underlying the relations in the graph. We propose a simple embedding-based model called ReAlE that performs link prediction in knowledge hypergraphs (generalized knowledge graphs) and can represent high-level abstractions in terms of relational algebra operations. We show theoretically that ReAlE is fully expressive and provide proofs and empirical evidence that it can represent a large subset of the primitive relational algebra operations, namely renaming, projection, set union, selection, and set difference. We also verify experimentally that ReAlE outperforms state-of-the-art models in knowledge hypergraph completion, and in representing each of these primitive relational algebra operations. For the latter experiment, we generate a synthetic knowledge hypergraph, for which we design an algorithm based on the Erdos-R'enyi model for generating random graphs.

Large language models have been extensively studied as neural knowledge bases for their knowledge access, editability, reasoning, and explainability. However, few works focus on the structural patterns of their knowledge. Motivated by this gap, we investigate these structural patterns from a graph perspective. We quantify the knowledge of LLMs at both the triplet and entity levels, and analyze how it relates to graph structural properties such as node degree. Furthermore, we uncover the knowledge homophily, where topologically close entities exhibit similar levels of knowledgeability, which further motivates us to develop graph machine learning models to estimate entity knowledge based on its local neighbors. This model further enables valuable knowledge checking by selecting triplets less known to LLMs. Empirical results show that using selected triplets for fine-tuning leads to superior performance.

Tabular representation learning has recently gained a lot of attention. However, existing approaches only learn a representation from a single table, and thus ignore the potential to learn from the full structure of relational databases, including neighboring tables that can contain important information for a contextualized representation. Moreover, current models are significantly limited in scale, which prevents that they learn from large databases. In this paper, we thus introduce our vision of relational representation learning, that can not only learn from the full relational structure, but also can scale to larger database sizes that are commonly found in real-world. Moreover, we also discuss opportunities and challenges we see along the way to enable this vision and present initial very promising results. Overall, we argue that this direction can lead to foundation models for relational databases that are today only available for text and images.

Human knowledge provides a formal understanding of the world. Knowledge graphs that represent structural relations between entities have become an increasingly popular research direction towards cognition and human-level intelligence. In this survey, we provide a comprehensive review of knowledge graph covering overall research topics about 1) knowledge graph representation learning, 2) knowledge acquisition and completion, 3) temporal knowledge graph, and 4) knowledge-aware applications, and summarize recent breakthroughs and perspective directions to facilitate future research. We propose a full-view categorization and new taxonomies on these topics. Knowledge graph embedding is organized from four aspects of representation space, scoring function, encoding models, and auxiliary information. For knowledge acquisition, especially knowledge graph completion, embedding methods, path inference, and logical rule reasoning, are reviewed. We further explore several emerging topics, including meta relational learning, commonsense reasoning, and temporal knowledge graphs. To facilitate future research on knowledge graphs, we also provide a curated collection of datasets and open-source libraries on different tasks. In the end, we have a thorough outlook on several promising research directions.

Multi-hop logical reasoning is an established problem in the field of representation learning on knowledge graphs (KGs). It subsumes both one-hop link prediction as well as other more complex types of logical queries. Existing algorithms operate only on classical, triple-based graphs, whereas modern KGs often employ a hyper-relational modeling paradigm. In this paradigm, typed edges may have several key-value pairs known as qualifiers that provide fine-grained context for facts. In queries, this context modifies the meaning of relations, and usually reduces the answer set. Hyper-relational queries are often observed in real-world KG applications, and existing approaches for approximate query answering cannot make use of qualifier pairs. In this work, we bridge this gap and extend the multi-hop reasoning problem to hyper-relational KGs allowing to tackle this new type of complex queries. Building upon recent advancements in Graph Neural Networks and query embedding techniques, we study how to embed and answer hyper-relational conjunctive queries. Besides that, we propose a method to answer such queries and demonstrate in our experiments that qualifiers improve query answering on a diverse set of query patterns.

Graph Neural Networks (GNNs) have shown exceptional performance in the task of link prediction. Despite their effectiveness, the high latency brought by non-trivial neighborhood data dependency limits GNNs in practical deployments. Conversely, the known efficient MLPs are much less effective than GNNs due to the lack of relational knowledge. In this work, to combine the advantages of GNNs and MLPs, we start with exploring direct knowledge distillation (KD) methods for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP), to distill knowledge for link prediction with MLPs. Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose rank-based matching and distribution-based matching strategies that complement each other. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 7 out of 8 benchmarks. LLP also achieves a 70.68x speedup in link prediction inference compared to GNNs on the large-scale OGB dataset.

Hyper-relational knowledge graphs (HKGs) extend standard knowledge graphs by associating attribute-value qualifiers to triples, which effectively represent additional fine-grained information about its associated triple. Hyper-relational knowledge graph completion (HKGC) aims at inferring unknown triples while considering its qualifiers. Most existing approaches to HKGC exploit a global-level graph structure to encode hyper-relational knowledge into the graph convolution message passing process. However, the addition of multi-hop information might bring noise into the triple prediction process. To address this problem, we propose HyperFormer, a model that considers local-level sequential information, which encodes the content of the entities, relations and qualifiers of a triple. More precisely, HyperFormer is composed of three different modules: an entity neighbor aggregator module allowing to integrate the information of the neighbors of an entity to capture different perspectives of it; a relation qualifier aggregator module to integrate hyper-relational knowledge into the corresponding relation to refine the representation of relational content; a convolution-based bidirectional interaction module based on a convolutional operation, capturing pairwise bidirectional interactions of entity-relation, entity-qualifier, and relation-qualifier. realize the depth perception of the content related to the current statement. Furthermore, we introduce a Mixture-of-Experts strategy into the feed-forward layers of HyperFormer to strengthen its representation capabilities while reducing the amount of model parameters and computation. Extensive experiments on three well-known datasets with four different conditions demonstrate HyperFormer's effectiveness. Datasets and code are available at https://github.com/zhiweihu1103/HKGC-HyperFormer.

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

Knowledge distillation is a powerful technique for transferring knowledge from a pre-trained teacher model to a student model. However, the true potential of knowledge transfer has not been fully explored. Existing approaches primarily focus on distilling individual information or instance-level relationships, overlooking the valuable information embedded in token-level relationships, which may be particularly affected by the long-tail effects. To address the above limitations, we propose a novel method called Knowledge Distillation with Token-level Relationship Graph (TRG) that leverages the token-wise relational knowledge to enhance the performance of knowledge distillation. By employing TRG, the student model can effectively emulate higher-level semantic information from the teacher model, resulting in improved distillation results. To further enhance the learning process, we introduce a token-wise contextual loss called contextual loss, which encourages the student model to capture the inner-instance semantic contextual of the teacher model. We conduct experiments to evaluate the effectiveness of the proposed method against several state-of-the-art approaches. Empirical results demonstrate the superiority of TRG across various visual classification tasks, including those involving imbalanced data. Our method consistently outperforms the existing baselines, establishing a new state-of-the-art performance in the field of knowledge distillation.

Large Language Models (LLMs) have been increasingly studied as neural knowledge bases for supporting knowledge-intensive applications such as question answering and fact checking. However, the structural organization of their knowledge remains unexplored. Inspired by cognitive neuroscience findings, such as semantic clustering and priming, where knowing one fact increases the likelihood of recalling related facts, we investigate an analogous knowledge homophily pattern in LLMs. To this end, we map LLM knowledge into a graph representation through knowledge checking at both the triplet and entity levels. After that, we analyze the knowledgeability relationship between an entity and its neighbors, discovering that LLMs tend to possess a similar level of knowledge about entities positioned closer in the graph. Motivated by this homophily principle, we propose a Graph Neural Network (GNN) regression model to estimate entity-level knowledgeability scores for triplets by leveraging their neighborhood scores. The predicted knowledgeability enables us to prioritize checking less well-known triplets, thereby maximizing knowledge coverage under the same labeling budget. This not only improves the efficiency of active labeling for fine-tuning to inject knowledge into LLMs but also enhances multi-hop path retrieval in reasoning-intensive question answering.

While Language Models have become workhorses for NLP, their interplay with textual knowledge graphs (KGs) - structured memories of general or domain knowledge - is actively researched. Current embedding methodologies for such graphs typically either (i) linearize graphs for embedding them using sequential Language Models (LMs), which underutilize structural information, or (ii) use Graph Neural Networks (GNNs) to preserve graph structure, while GNNs cannot represent textual features as well as a pre-trained LM could. In this work we introduce a novel language model, the Graph Language Model (GLM), that integrates the strengths of both approaches, while mitigating their weaknesses. The GLM parameters are initialized from a pretrained LM, to facilitate nuanced understanding of individual concepts and triplets. Simultaneously, its architectural design incorporates graph biases, thereby promoting effective knowledge distribution within the graph. Empirical evaluations on relation classification tasks on ConceptNet subgraphs reveal that GLM embeddings surpass both LM- and GNN-based baselines in supervised and zero-shot settings.

Knowledge graphs enable a wide variety of applications, including question answering and information retrieval. Despite the great effort invested in their creation and maintenance, even the largest (e.g., Yago, DBPedia or Wikidata) remain incomplete. We introduce Relational Graph Convolutional Networks (R-GCNs) and apply them to two standard knowledge base completion tasks: Link prediction (recovery of missing facts, i.e. subject-predicate-object triples) and entity classification (recovery of missing entity attributes). R-GCNs are related to a recent class of neural networks operating on graphs, and are developed specifically to deal with the highly multi-relational data characteristic of realistic knowledge bases. We demonstrate the effectiveness of R-GCNs as a stand-alone model for entity classification. We further show that factorization models for link prediction such as DistMult can be significantly improved by enriching them with an encoder model to accumulate evidence over multiple inference steps in the relational graph, demonstrating a large improvement of 29.8% on FB15k-237 over a decoder-only baseline.

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent connection between attention and graph theory, we reformulate the Transformer's attention mechanism as a graph operation and propose Graph-Aware Isomorphic Attention. This method leverages advanced graph modeling strategies, including Graph Isomorphism Networks (GIN) and Principal Neighborhood Aggregation (PNA), to enrich the representation of relational structures. Our approach captures complex dependencies and generalizes across tasks, as evidenced by a reduced generalization gap and improved learning performance. Additionally, we expand the concept of graph-aware attention to introduce Sparse GIN-Attention, a fine-tuning approach that employs sparse GINs. By interpreting attention matrices as sparse adjacency graphs, this technique enhances the adaptability of pre-trained foundational models with minimal computational overhead, endowing them with graph-aware capabilities. Sparse GIN-Attention fine-tuning achieves improved training dynamics and better generalization compared to alternative methods like low-rank adaption (LoRA). We discuss latent graph-like structures within traditional attention mechanisms, offering a new lens through which Transformers can be understood. By evolving Transformers as hierarchical GIN models for relational reasoning. This perspective suggests profound implications for foundational model development, enabling the design of architectures that dynamically adapt to both local and global dependencies. Applications in bioinformatics, materials science, language modeling, and beyond could benefit from this synthesis of relational and sequential data modeling, setting the stage for interpretable and generalizable modeling strategies.

Reasoning over visual relationships-spatial, functional, interactional, social, etc.-is considered to be a fundamental component of human cognition. Yet, despite the major advances in visual comprehension in multimodal language models (MLMs), precise reasoning over relationships and their generations remains a challenge. We introduce ROBIN: an MLM instruction-tuned with densely annotated relationships capable of constructing high-quality dense scene graphs at scale. To train ROBIN, we curate SVG, a synthetic scene graph dataset by completing the missing relations of selected objects in existing scene graphs using a teacher MLM and a carefully designed filtering process to ensure high-quality. To generate more accurate and rich scene graphs at scale for any image, we introduce SG-EDIT: a self-distillation framework where GPT-4o further refines ROBIN's predicted scene graphs by removing unlikely relations and/or suggesting relevant ones. In total, our dataset contains 146K images and 5.6M relationships for 2.6M objects. Results show that our ROBIN-3B model, despite being trained on less than 3 million instances, outperforms similar-size models trained on over 300 million instances on relationship understanding benchmarks, and even surpasses larger models up to 13B parameters. Notably, it achieves state-of-the-art performance in referring expression comprehension with a score of 88.9, surpassing the previous best of 87.4. Our results suggest that training on the refined scene graph data is crucial to maintaining high performance across diverse visual reasoning task.

Compositional relational reasoning (CRR) is a hallmark of human intelligence, but we lack a clear understanding of whether and how existing transformer large language models (LLMs) can solve CRR tasks. To enable systematic exploration of the CRR capability of LLMs, we first propose a new synthetic benchmark called Generalized Associative Recall (GAR) by integrating and generalizing the essence of several tasks in mechanistic interpretability (MI) study in a unified framework. Evaluation shows that GAR is challenging enough for existing LLMs, revealing their fundamental deficiency in CRR. Meanwhile, it is easy enough for systematic MI study. Then, to understand how LLMs solve GAR tasks, we use attribution patching to discover the core circuits reused by Vicuna-33B across different tasks and a set of vital attention heads. Intervention experiments show that the correct functioning of these heads significantly impacts task performance. Especially, we identify two classes of heads whose activations represent the abstract notion of true and false in GAR tasks respectively. They play a fundamental role in CRR across various models and tasks. The dataset and code are available at https://github.com/Caiyun-AI/GAR.

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.

Knowledge Graph Foundation Models (KGFMs) are at the frontier for deep learning on knowledge graphs (KGs), as they can generalize to completely novel knowledge graphs with different relational vocabularies. Despite their empirical success, our theoretical understanding of KGFMs remains very limited. In this paper, we conduct a rigorous study of the expressive power of KGFMs. Specifically, we show that the expressive power of KGFMs directly depends on the motifs that are used to learn the relation representations. We then observe that the most typical motifs used in the existing literature are binary, as the representations are learned based on how pairs of relations interact, which limits the model's expressiveness. As part of our study, we design more expressive KGFMs using richer motifs, which necessitate learning relation representations based on, e.g., how triples of relations interact with each other. Finally, we empirically validate our theoretical findings, showing that the use of richer motifs results in better performance on a wide range of datasets drawn from different domains.

Knowledge distillation aims at transferring knowledge acquired in one model (a teacher) to another model (a student) that is typically smaller. Previous approaches can be expressed as a form of training the student to mimic output activations of individual data examples represented by the teacher. We introduce a novel approach, dubbed relational knowledge distillation (RKD), that transfers mutual relations of data examples instead. For concrete realizations of RKD, we propose distance-wise and angle-wise distillation losses that penalize structural differences in relations. Experiments conducted on different tasks show that the proposed method improves educated student models with a significant margin. In particular for metric learning, it allows students to outperform their teachers' performance, achieving the state of the arts on standard benchmark datasets.

LLMs have revolutionized the field of artificial intelligence and have emerged as the de-facto tool for many tasks. The current established technology of LLMs is to process input and generate output at the token level. This is in sharp contrast to humans who operate at multiple levels of abstraction, well beyond single words, to analyze information and to generate creative content. In this paper, we present an attempt at an architecture which operates on an explicit higher-level semantic representation, which we name a concept. Concepts are language- and modality-agnostic and represent a higher level idea or action in a flow. Hence, we build a "Large Concept Model". In this study, as proof of feasibility, we assume that a concept corresponds to a sentence, and use an existing sentence embedding space, SONAR, which supports up to 200 languages in both text and speech modalities. The Large Concept Model is trained to perform autoregressive sentence prediction in an embedding space. We explore multiple approaches, namely MSE regression, variants of diffusion-based generation, and models operating in a quantized SONAR space. These explorations are performed using 1.6B parameter models and training data in the order of 1.3T tokens. We then scale one architecture to a model size of 7B parameters and training data of about 2.7T tokens. We perform an experimental evaluation on several generative tasks, namely summarization and a new task of summary expansion. Finally, we show that our model exhibits impressive zero-shot generalization performance to many languages, outperforming existing LLMs of the same size. The training code of our models is freely available.

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

Answering complex real-world questions often requires accurate retrieval from textual knowledge graphs (TKGs). The scarcity of annotated data, along with intricate topological structures, makes this task particularly challenging. As the nature of relational path information could enhance the inference ability of Large Language Models (LLMs), efficiently retrieving more complex relational path information from TKGs presents another key challenge. To tackle these challenges, we first develop a Dataset for LLMs Complex Reasoning over Textual Knowledge Graphs (RiTeK) with a broad topological structure coverage.We synthesize realistic user queries that integrate diverse topological structures, relational information, and complex textual descriptions. We conduct rigorous expert evaluation to validate the quality of our synthesized queries. And then, we introduce an enhanced Monte Carlo Tree Search (MCTS) method, Relational MCTS, to automatically extract relational path information from textual graphs for specific queries. Our dataset mainly covers the medical domain as the relation types and entity are complex and publicly available. Experimental results indicate that RiTeK poses significant challenges for current retrieval and LLM systems, while the proposed Relational MCTS method enhances LLM inference ability and achieves state-of-the-art performance on RiTeK.

We present RelBench, a public benchmark for solving predictive tasks over relational databases with graph neural networks. RelBench provides databases and tasks spanning diverse domains and scales, and is intended to be a foundational infrastructure for future research. We use RelBench to conduct the first comprehensive study of Relational Deep Learning (RDL) (Fey et al., 2024), which combines graph neural network predictive models with (deep) tabular models that extract initial entity-level representations from raw tables. End-to-end learned RDL models fully exploit the predictive signal encoded in primary-foreign key links, marking a significant shift away from the dominant paradigm of manual feature engineering combined with tabular models. To thoroughly evaluate RDL against this prior gold-standard, we conduct an in-depth user study where an experienced data scientist manually engineers features for each task. In this study, RDL learns better models whilst reducing human work needed by more than an order of magnitude. This demonstrates the power of deep learning for solving predictive tasks over relational databases, opening up many new research opportunities enabled by RelBench.

Visual language is a system of communication that conveys information through symbols, shapes, and spatial arrangements. Diagrams are a typical example of a visual language depicting complex concepts and their relationships in the form of an image. The symbolic nature of diagrams presents significant challenges for building models capable of understanding them. Yet, recent studies seem to suggest that Large Vision-Language Models (LVLMs) can even tackle complex reasoning tasks involving diagrams. In this paper, we investigate this phenomenon by developing a comprehensive test suite to evaluate the diagram comprehension capability of LVLMs. Our test suite uses a variety of questions focused on concept entities and their relationships over a set of synthetic as well as real diagrams across several domains to evaluate the recognition and reasoning abilities of models. Our evaluation of three LVLMs (GPT-4V, GPT-4o, and Gemini) shows that while these models can accurately identify and reason about entities, their ability to understand relationships is notably limited. Further testing reveals that the decent performance on diagram understanding largely stems from leveraging their background knowledge as shortcuts to identify and reason about the relational information. Thus, we conclude that LVLMs have a limited capability for genuine diagram understanding, and their impressive performance in diagram reasoning is an illusion emanating from other confounding factors, such as the background knowledge in the models.

Despite the recent advancements in Multi-modal Large Language Models (MLLMs), understanding inter-object relations, i.e., interactions or associations between distinct objects, remains a major challenge for such models. This issue significantly hinders their advanced reasoning capabilities and is primarily due to the lack of large-scale, high-quality, and diverse multi-modal data essential for training and evaluating MLLMs. In this paper, we provide a taxonomy of inter-object relations and introduce Multi-Modal Relation Understanding (MMRel), a comprehensive dataset designed to bridge this gap by providing large-scale, high-quality and diverse data for studying inter-object relations with MLLMs. MMRel features three distinctive attributes: (i) It includes over 15K question-answer pairs, which are sourced from three distinct domains, ensuring large scale and high diversity; (ii) It contains a subset featuring highly unusual relations, on which MLLMs often fail due to hallucinations, thus are very challenging; (iii) It provides manually verified high-quality labels for inter-object relations. Thanks to these features, MMRel is ideal for evaluating MLLMs on relation understanding, as well as being used to fine-tune MLLMs to enhance relation understanding and even benefit overall performance in various vision-language tasks. Extensive experiments on various popular MLLMs validate the effectiveness of MMRel. Both MMRel dataset and the complete labeling scripts have been made publicly available.

Most state-of-the-art Visual-Language Models (VLMs) are seemingly limited by the linear separabilty of their visual embeddings on abstract reasoning tasks. This work investigates this "linear reasoning bottleneck" by introducing the Linear Separability Ceiling (LSC), the performance of a simple linear classifier on a VLM's visual embeddings. We find this bottleneck is widespread and stems not from poor perception, but from failures in the language model's reasoning pathways. We demonstrate this is a solvable alignment issue. The required intervention, however, is task-dependent: activating existing pathways suffices for semantic concepts, while complex relational reasoning requires adapting core model weights. Using postfix tuning as a methodological control, we find strong evidence for powerful, dormant reasoning pathways within VLMs. However, for complex relational tasks requiring deeper adaptation, explicitly improving representation quality causes the model to fail on new prompt formats despite its embeddings remaining well separated. Ultimately, this work provides a new lens for VLM analysis, showing that robust reasoning is a matter of targeted alignment, not simply improved representation learning.

Knowledge Graph Embedding (KGE) models are used to learn continuous representations of entities and relations. A key task in the literature is predicting missing links between entities. However, Knowledge Graphs are not just sets of links but also have semantics underlying their structure. Semantics is crucial in several downstream tasks, such as query answering or reasoning. We introduce the subgraph inference task, where a model has to generate likely and semantically valid subgraphs. We propose IntelliGraphs, a set of five new Knowledge Graph datasets. The IntelliGraphs datasets contain subgraphs with semantics expressed in logical rules for evaluating subgraph inference. We also present the dataset generator that produced the synthetic datasets. We designed four novel baseline models, which include three models based on traditional KGEs. We evaluate their expressiveness and show that these models cannot capture the semantics. We believe this benchmark will encourage the development of machine learning models that emphasize semantic understanding.

While large language models (LLMs) have made significant progress in processing and reasoning over knowledge graphs, current methods suffer from a high non-retrieval rate. This limitation reduces the accuracy of answering questions based on these graphs. Our analysis reveals that the combination of greedy search and forward reasoning is a major contributor to this issue. To overcome these challenges, we introduce the concept of super-relations, which enables both forward and backward reasoning by summarizing and connecting various relational paths within the graph. This holistic approach not only expands the search space, but also significantly improves retrieval efficiency. In this paper, we propose the ReKnoS framework, which aims to Reason over Knowledge Graphs with Super-Relations. Our framework's key advantages include the inclusion of multiple relation paths through super-relations, enhanced forward and backward reasoning capabilities, and increased efficiency in querying LLMs. These enhancements collectively lead to a substantial improvement in the successful retrieval rate and overall reasoning performance. We conduct extensive experiments on nine real-world datasets to evaluate ReKnoS, and the results demonstrate the superior performance of ReKnoS over existing state-of-the-art baselines, with an average accuracy gain of 2.92%.

The emergence of pretrained models has significantly impacted from Natural Language Processing (NLP) and Computer Vision to relational datasets. Traditionally, these models are assessed through fine-tuned downstream tasks. However, this raises the question of how to evaluate these models more efficiently and more effectively. In this study, we explore a novel approach where we leverage the meta features associated with each entity as a source of worldly knowledge and employ entity representations from the models. We propose using the consistency between these representations and the meta features as a metric for evaluating pretrained models. Our method's effectiveness is demonstrated across various domains, including models with relational datasets, large language models and images models.

Recent large language model (LLM) reasoning, despite its success, suffers from limited domain knowledge, susceptibility to hallucinations, and constrained reasoning depth, particularly in small-scale models deployed in resource-constrained environments. This paper presents the first investigation into integrating step-wise knowledge graph retrieval with step-wise reasoning to address these challenges, introducing a novel paradigm termed as graph-augmented reasoning. Our goal is to enable frozen, small-scale LLMs to retrieve and process relevant mathematical knowledge in a step-wise manner, enhancing their problem-solving abilities without additional training. To this end, we propose KG-RAR, a framework centered on process-oriented knowledge graph construction, a hierarchical retrieval strategy, and a universal post-retrieval processing and reward model (PRP-RM) that refines retrieved information and evaluates each reasoning step. Experiments on the Math500 and GSM8K benchmarks across six models demonstrate that KG-RAR yields encouraging results, achieving a 20.73\% relative improvement with Llama-3B on Math500.

Conceptual knowledge is fundamental to human cognition and knowledge bases. However, existing knowledge probing works only focus on evaluating factual knowledge of pre-trained language models (PLMs) and ignore conceptual knowledge. Since conceptual knowledge often appears as implicit commonsense behind texts, designing probes for conceptual knowledge is hard. Inspired by knowledge representation schemata, we comprehensively evaluate conceptual knowledge of PLMs by designing three tasks to probe whether PLMs organize entities by conceptual similarities, learn conceptual properties, and conceptualize entities in contexts, respectively. For the tasks, we collect and annotate 24k data instances covering 393 concepts, which is COPEN, a COnceptual knowledge Probing bENchmark. Extensive experiments on different sizes and types of PLMs show that existing PLMs systematically lack conceptual knowledge and suffer from various spurious correlations. We believe this is a critical bottleneck for realizing human-like cognition in PLMs. COPEN and our codes are publicly released at https://github.com/THU-KEG/COPEN.

Understanding how humans conceptualize and categorize natural objects offers critical insights into perception and cognition. With the advent of Large Language Models (LLMs), a key question arises: can these models develop human-like object representations from linguistic and multimodal data? In this study, we combined behavioral and neuroimaging analyses to explore the relationship between object concept representations in LLMs and human cognition. We collected 4.7 million triplet judgments from LLMs and Multimodal LLMs (MLLMs) to derive low-dimensional embeddings that capture the similarity structure of 1,854 natural objects. The resulting 66-dimensional embeddings were stable, predictive, and exhibited semantic clustering similar to human mental representations. Remarkably, the dimensions underlying these embeddings were interpretable, suggesting that LLMs and MLLMs develop human-like conceptual representations of objects. Further analysis showed strong alignment between model embeddings and neural activity patterns in brain regions such as EBA, PPA, RSC, and FFA. This provides compelling evidence that the object representations in LLMs, while not identical to human ones, share fundamental similarities that reflect key aspects of human conceptual knowledge. Our findings advance the understanding of machine intelligence and inform the development of more human-like artificial cognitive systems.

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

Knowledge Graphs (KGs) are valuable tools for representing relationships between entities in a structured format. Traditionally, these knowledge bases are queried to extract specific information. However, question-answering (QA) over such KGs poses a challenge due to the intrinsic complexity of natural language compared to the structured format and the size of these graphs. Despite these challenges, the structured nature of KGs can provide a solid foundation for grounding the outputs of Large Language Models (LLMs), offering organizations increased reliability and control. Recent advancements in LLMs have introduced reasoning methods at inference time to improve their performance and maximize their capabilities. In this work, we propose integrating these reasoning strategies with KGs to anchor every step or "thought" of the reasoning chains in KG data. Specifically, we evaluate both agentic and automated search methods across several reasoning strategies, including Chain-of-Thought (CoT), Tree-of-Thought (ToT), and Graph-of-Thought (GoT), using GRBench, a benchmark dataset for graph reasoning with domain-specific graphs. Our experiments demonstrate that this approach consistently outperforms baseline models, highlighting the benefits of grounding LLM reasoning processes in structured KG data.

Formulating and answering logical queries is a standard communication interface for knowledge graphs (KGs). Alleviating the notorious incompleteness of real-world KGs, neural methods achieved impressive results in link prediction and complex query answering tasks by learning representations of entities, relations, and queries. Still, most existing query answering methods rely on transductive entity embeddings and cannot generalize to KGs containing new entities without retraining the entity embeddings. In this work, we study the inductive query answering task where inference is performed on a graph containing new entities with queries over both seen and unseen entities. To this end, we devise two mechanisms leveraging inductive node and relational structure representations powered by graph neural networks (GNNs). Experimentally, we show that inductive models are able to perform logical reasoning at inference time over unseen nodes generalizing to graphs up to 500% larger than training ones. Exploring the efficiency--effectiveness trade-off, we find the inductive relational structure representation method generally achieves higher performance, while the inductive node representation method is able to answer complex queries in the inference-only regime without any training on queries and scales to graphs of millions of nodes. Code is available at https://github.com/DeepGraphLearning/InductiveQE.

Large language models (LLMs) have demonstrated remarkable success across a wide range of tasks; however, they still encounter challenges in reasoning tasks that require understanding and inferring relationships between distinct pieces of information within text sequences. This challenge is particularly pronounced in tasks involving multi-step processes, such as logical reasoning and multi-hop question answering, where understanding implicit relationships between entities and leveraging multi-hop connections in the given context are crucial. Graphs, as fundamental data structures, explicitly represent pairwise relationships between entities, thereby offering the potential to enhance LLMs' reasoning capabilities. External graphs have proven effective in supporting LLMs across multiple tasks. However, in many reasoning tasks, no pre-existing graph structure is provided. Can we structure implicit knowledge derived from context into graphs to assist LLMs in reasoning? In this paper, we propose Reasoning with Graphs (RwG) by first constructing explicit graphs from the context and then leveraging these graphs to enhance LLM reasoning performance on reasoning tasks. Extensive experiments demonstrate the effectiveness of the proposed method in improving both logical reasoning and multi-hop question answering tasks.

We consider learning representations of entities and relations in KBs using the neural-embedding approach. We show that most existing models, including NTN (Socher et al., 2013) and TransE (Bordes et al., 2013b), can be generalized under a unified learning framework, where entities are low-dimensional vectors learned from a neural network and relations are bilinear and/or linear mapping functions. Under this framework, we compare a variety of embedding models on the link prediction task. We show that a simple bilinear formulation achieves new state-of-the-art results for the task (achieving a top-10 accuracy of 73.2% vs. 54.7% by TransE on Freebase). Furthermore, we introduce a novel approach that utilizes the learned relation embeddings to mine logical rules such as "BornInCity(a,b) and CityInCountry(b,c) => Nationality(a,c)". We find that embeddings learned from the bilinear objective are particularly good at capturing relational semantics and that the composition of relations is characterized by matrix multiplication. More interestingly, we demonstrate that our embedding-based rule extraction approach successfully outperforms a state-of-the-art confidence-based rule mining approach in mining Horn rules that involve compositional reasoning.

Relation extraction has the potential for large-scale knowledge graph construction, but current methods do not consider the qualifier attributes for each relation triplet, such as time, quantity or location. The qualifiers form hyper-relational facts which better capture the rich and complex knowledge graph structure. For example, the relation triplet (Leonard Parker, Educated At, Harvard University) can be factually enriched by including the qualifier (End Time, 1967). Hence, we propose the task of hyper-relational extraction to extract more specific and complete facts from text. To support the task, we construct HyperRED, a large-scale and general-purpose dataset. Existing models cannot perform hyper-relational extraction as it requires a model to consider the interaction between three entities. Hence, we propose CubeRE, a cube-filling model inspired by table-filling approaches and explicitly considers the interaction between relation triplets and qualifiers. To improve model scalability and reduce negative class imbalance, we further propose a cube-pruning method. Our experiments show that CubeRE outperforms strong baselines and reveal possible directions for future research. Our code and data are available at github.com/declare-lab/HyperRED.

Retrieval-Augmented Generation (RAG) plays a crucial role in grounding Large Language Models by leveraging external knowledge, whereas the effectiveness is often compromised by the retrieval of contextually flawed or incomplete information. To address this, knowledge graph-based RAG methods have evolved towards hierarchical structures, organizing knowledge into multi-level summaries. However, these approaches still suffer from two critical, unaddressed challenges: high-level conceptual summaries exist as disconnected ``semantic islands'', lacking the explicit relations needed for cross-community reasoning; and the retrieval process itself remains structurally unaware, often degenerating into an inefficient flat search that fails to exploit the graph's rich topology. To overcome these limitations, we introduce LeanRAG, a framework that features a deeply collaborative design combining knowledge aggregation and retrieval strategies. LeanRAG first employs a novel semantic aggregation algorithm that forms entity clusters and constructs new explicit relations among aggregation-level summaries, creating a fully navigable semantic network. Then, a bottom-up, structure-guided retrieval strategy anchors queries to the most relevant fine-grained entities and then systematically traverses the graph's semantic pathways to gather concise yet contextually comprehensive evidence sets. The LeanRAG can mitigate the substantial overhead associated with path retrieval on graphs and minimizes redundant information retrieval. Extensive experiments on four challenging QA benchmarks with different domains demonstrate that LeanRAG significantly outperforming existing methods in response quality while reducing 46\% retrieval redundancy. Code is available at: https://github.com/RaZzzyz/LeanRAG

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are primarily developed by following the propagation mechanism of node representations. There are few efforts on studying the role of relations for improving the learning of more fine-grained node representations. Indeed, it is important to collaboratively learn the semantic representations of relations and discern node representations with respect to different relation types. To this end, in this paper, we propose a novel Relation-aware Heterogeneous Graph Neural Network, namely R-HGNN, to learn node representations on heterogeneous graphs at a fine-grained level by considering relation-aware characteristics. Specifically, a dedicated graph convolution component is first designed to learn unique node representations from each relation-specific graph separately. Then, a cross-relation message passing module is developed to improve the interactions of node representations across different relations. Also, the relation representations are learned in a layer-wise manner to capture relation semantics, which are used to guide the node representation learning process. Moreover, a semantic fusing module is presented to aggregate relation-aware node representations into a compact representation with the learned relation representations. Finally, we conduct extensive experiments on a variety of graph learning tasks, and experimental results demonstrate that our approach consistently outperforms existing methods among all the tasks.

Recent advances in large language models (LLMs) provide a new opportunity to address the long-standing question of how concepts are represented and organized in the mind, which is central to unravelling the nature of human cognition. Here, we reframed the classic reverse dictionary task to simulate human concept inference in context and investigated the emergence of human-like conceptual representations within LLMs. We found that LLMs were able to infer concepts from definitional descriptions and construct representation spaces that converge towards a shared, context-independent structure. These representations effectively predicted human behavioural judgments and aligned well with neural activity patterns in the human brain, offering evidence for biological plausibility. These findings demonstrate that human-like conceptual representations and organization can naturally emerge from language prediction, even without real-world grounding. Our work supports the view that LLMs serve as valuable tools for understanding complex human cognition and paves the way for better alignment between artificial and human intelligence.

Retrieving relevant documents from a corpus is typically based on the semantic similarity between the document content and query text. The inclusion of structural relationship between documents can benefit the retrieval mechanism by addressing semantic gaps. However, incorporating these relationships requires tractable mechanisms that balance structure with semantics and take advantage of the prevalent pre-train/fine-tune paradigm. We propose here a holistic approach to learning document representations by integrating intra-document content with inter-document relations. Our deep metric learning solution analyzes the complex neighborhood structure in the relationship network to efficiently sample similar/dissimilar document pairs and defines a novel quintuplet loss function that simultaneously encourages document pairs that are semantically relevant to be closer and structurally unrelated to be far apart in the representation space. Furthermore, the separation margins between the documents are varied flexibly to encode the heterogeneity in relationship strengths. The model is fully fine-tunable and natively supports query projection during inference. We demonstrate that it outperforms competing methods on multiple datasets for document retrieval tasks.

Large pre-trained Vision-Language Models (VLMs) have become ubiquitous foundational components of other models and downstream tasks. Although powerful, our empirical results reveal that such models might not be able to identify fine-grained concepts. Specifically, the explanations of VLMs with respect to fine-grained concepts are entangled and mislocalized. To address this issue, we propose to DisEntAngle and Localize (DEAL) the concept-level explanations for VLMs without human annotations. The key idea is encouraging the concept-level explanations to be distinct while maintaining consistency with category-level explanations. We conduct extensive experiments and ablation studies on a wide range of benchmark datasets and vision-language models. Our empirical results demonstrate that the proposed method significantly improves the concept-level explanations of the model in terms of disentanglability and localizability. Surprisingly, the improved explainability alleviates the model's reliance on spurious correlations, which further benefits the prediction accuracy.

Graph neural networks (GNNs) have shown promising performance for knowledge graph reasoning. A recent variant of GNN called progressive relational graph neural network (PRGNN), utilizes relational rules to infer missing knowledge in relational digraphs and achieves notable results. However, during reasoning with PRGNN, two important properties are often overlooked: (1) the sequentiality of relation composition, where the order of combining different relations affects the semantics of the relational rules, and (2) the lagged entity information propagation, where the transmission speed of required information lags behind the appearance speed of new entities. Ignoring these properties leads to incorrect relational rule learning and decreased reasoning accuracy. To address these issues, we propose a novel knowledge graph reasoning approach, the Relational rUle eNhanced Graph Neural Network (RUN-GNN). Specifically, RUN-GNN employs a query related fusion gate unit to model the sequentiality of relation composition and utilizes a buffering update mechanism to alleviate the negative effect of lagged entity information propagation, resulting in higher-quality relational rule learning. Experimental results on multiple datasets demonstrate the superiority of RUN-GNN is superior on both transductive and inductive link prediction tasks.

Reasoning ability is one of the most crucial capabilities of a foundation model, signifying its capacity to address complex reasoning tasks. Chain-of-Thought (CoT) technique is widely regarded as one of the effective methods for enhancing the reasoning ability of foundation models and has garnered significant attention. However, the reasoning process of CoT is linear, step-by-step, similar to personal logical reasoning, suitable for solving general and slightly complicated problems. On the contrary, the thinking pattern of an expert owns two prominent characteristics that cannot be handled appropriately in CoT, i.e., high-order multi-hop reasoning and multimodal comparative judgement. Therefore, the core motivation of this paper is transcending CoT to construct a reasoning paradigm that can think like an expert. The hyperedge of a hypergraph could connect various vertices, making it naturally suitable for modelling high-order relationships. Inspired by this, this paper innovatively proposes a multimodal Hypergraph-of-Thought (HoT) reasoning paradigm, which enables the foundation models to possess the expert-level ability of high-order multi-hop reasoning and multimodal comparative judgement. Specifically, a textual hypergraph-of-thought is constructed utilizing triple as the primary thought to model higher-order relationships, and a hyperedge-of-thought is generated through multi-hop walking paths to achieve multi-hop inference. Furthermore, we devise a visual hypergraph-of-thought to interact with the textual hypergraph-of-thought via Cross-modal Co-Attention Graph Learning for multimodal comparative verification. Experimentations on the ScienceQA benchmark demonstrate the proposed HoT-based T5 outperforms CoT-based GPT3.5 and chatGPT, which is on par with CoT-based GPT4 with a lower model size.

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

In large language models (LLMs), certain neurons can store distinct pieces of knowledge learned during pretraining. While knowledge typically appears as a combination of relations and entities, it remains unclear whether some neurons focus on a relation itself -- independent of any entity. We hypothesize such neurons detect a relation in the input text and guide generation involving such a relation. To investigate this, we study the Llama-2 family on a chosen set of relations with a statistics-based method. Our experiments demonstrate the existence of relation-specific neurons. We measure the effect of selectively deactivating candidate neurons specific to relation r on the LLM's ability to handle (1) facts whose relation is r and (2) facts whose relation is a different relation r' neq r. With respect to their capacity for encoding relation information, we give evidence for the following three properties of relation-specific neurons. (i) Neuron cumulativity. The neurons for r present a cumulative effect so that deactivating a larger portion of them results in the degradation of more facts in r. (ii) Neuron versatility. Neurons can be shared across multiple closely related as well as less related relations. Some relation neurons transfer across languages. (iii) Neuron interference. Deactivating neurons specific to one relation can improve LLM generation performance for facts of other relations. We will make our code publicly available at https://github.com/cisnlp/relation-specific-neurons.

Recent progress in pretraining language models on large textual corpora led to a surge of improvements for downstream NLP tasks. Whilst learning linguistic knowledge, these models may also be storing relational knowledge present in the training data, and may be able to answer queries structured as "fill-in-the-blank" cloze statements. Language models have many advantages over structured knowledge bases: they require no schema engineering, allow practitioners to query about an open class of relations, are easy to extend to more data, and require no human supervision to train. We present an in-depth analysis of the relational knowledge already present (without fine-tuning) in a wide range of state-of-the-art pretrained language models. We find that (i) without fine-tuning, BERT contains relational knowledge competitive with traditional NLP methods that have some access to oracle knowledge, (ii) BERT also does remarkably well on open-domain question answering against a supervised baseline, and (iii) certain types of factual knowledge are learned much more readily than others by standard language model pretraining approaches. The surprisingly strong ability of these models to recall factual knowledge without any fine-tuning demonstrates their potential as unsupervised open-domain QA systems. The code to reproduce our analysis is available at https://github.com/facebookresearch/LAMA.

The New York Times Connections game has emerged as a popular and challenging pursuit for word puzzle enthusiasts. We collect 438 Connections games to evaluate the performance of state-of-the-art large language models (LLMs) against expert and novice human players. Our results show that even the best performing LLM, Claude 3.5 Sonnet, which has otherwise shown impressive reasoning abilities on a wide variety of benchmarks, can only fully solve 18% of the games. Novice and expert players perform better than Claude 3.5 Sonnet, with expert human players significantly outperforming it. We create a taxonomy of the knowledge types required to successfully cluster and categorize words in the Connections game. We find that while LLMs perform relatively well on categorizing words based on semantic relations they struggle with other types of knowledge such as Encyclopedic Knowledge, Multiword Expressions or knowledge that combines both Word Form and Meaning. Our results establish the New York Times Connections game as a challenging benchmark for evaluating abstract reasoning capabilities in AI systems.

While Multimodal Large Language Models (MLLMs) demonstrate impressive abilities over high level perception and reasoning, their robustness in the wild still lags behind humans and exhibits diminished efficacy on simple tasks that are intuitive for humans. We examine the hypothesis that these deficiencies stem from the absence of core knowledge, rudimentary cognitive abilities innate to humans from early childhood. To probe core knowledge representation in MLLMs, we draw from developmental cognitive sciences and develop a large-scale benchmark, CoreCognition dataset, encompassing 12 core cognitive concepts. We evaluate 219 models with 10 different prompts, leading to a total of 2409 data points for analysis. Our findings reveal core knowledge deficits in early developed core abilities while models demonstrate human comparable performance in high level cognition. Moreover, we find that low level abilities show little to no scaling, in stark contrast to high level abilities. Finally, we introduce an evaluation technique, Concept Hacking, through which we demonstrate that MLLMs do not genuinely advance toward core knowledge but instead rely on illusory understanding and shortcut learning as they scale. Website with this https://growing-ai-like-a-child.github.io/{link}.

It is crucial to automatically construct knowledge graphs (KGs) of diverse new relations to support knowledge discovery and broad applications. Previous KG construction methods, based on either crowdsourcing or text mining, are often limited to a small predefined set of relations due to manual cost or restrictions in text corpus. Recent research proposed to use pretrained language models (LMs) as implicit knowledge bases that accept knowledge queries with prompts. Yet, the implicit knowledge lacks many desirable properties of a full-scale symbolic KG, such as easy access, navigation, editing, and quality assurance. In this paper, we propose a new approach of harvesting massive KGs of arbitrary relations from pretrained LMs. With minimal input of a relation definition (a prompt and a few shot of example entity pairs), the approach efficiently searches in the vast entity pair space to extract diverse accurate knowledge of the desired relation. We develop an effective search-and-rescore mechanism for improved efficiency and accuracy. We deploy the approach to harvest KGs of over 400 new relations from different LMs. Extensive human and automatic evaluations show our approach manages to extract diverse accurate knowledge, including tuples of complex relations (e.g., "A is capable of but not good at B"). The resulting KGs as a symbolic interpretation of the source LMs also reveal new insights into the LMs' knowledge capacities.

Relations such as "is influenced by", "is known for" or "is a competitor of" are inherently graded: we can rank entity pairs based on how well they satisfy these relations, but it is hard to draw a line between those pairs that satisfy them and those that do not. Such graded relations play a central role in many applications, yet they are typically not covered by existing Knowledge Graphs. In this paper, we consider the possibility of using Large Language Models (LLMs) to fill this gap. To this end, we introduce a new benchmark, in which entity pairs have to be ranked according to how much they satisfy a given graded relation. The task is formulated as a few-shot ranking problem, where models only have access to a description of the relation and five prototypical instances. We use the proposed benchmark to evaluate state-of-the-art relation embedding strategies as well as several recent LLMs, covering both publicly available LLMs and closed models such as GPT-4. Overall, we find a strong correlation between model size and performance, with smaller Language Models struggling to outperform a naive baseline. The results of the largest Flan-T5 and OPT models are remarkably strong, although a clear gap with human performance remains.

Large language models (LLMs) have majorly advanced NLP and AI, and next to their ability to perform a wide range of procedural tasks, a major success factor is their internalized factual knowledge. Since Petroni et al. (2019), analyzing this knowledge has gained attention. However, most approaches investigate one question at a time via modest-sized pre-defined samples, introducing an ``availability bias'' (Tversky&Kahnemann, 1973) that prevents the analysis of knowledge (or beliefs) of LLMs beyond the experimenter's predisposition. To address this challenge, we propose a novel methodology to comprehensively materialize an LLM's factual knowledge through recursive querying and result consolidation. Our approach is a milestone for LLM research, for the first time providing constructive insights into the scope and structure of LLM knowledge (or beliefs). As a prototype, we build GPTKB, a knowledge base (KB) comprising 101 million relational triples for over 2.9 million entities from GPT-4o-mini. We use GPTKB to exemplarily analyze GPT-4o-mini's factual knowledge in terms of scale, accuracy, bias, cutoff and consistency, at the same time. GPTKB is accessible at https://gptkb.org

Pretrained language models (LMs) encode implicit representations of knowledge in their parameters. However, localizing these representations and disentangling them from each other remains an open problem. In this work, we investigate whether pretrained language models contain various knowledge-critical subnetworks: particular sparse computational subgraphs responsible for encoding specific knowledge the model has memorized. We propose a multi-objective differentiable weight masking scheme to discover these subnetworks and show that we can use them to precisely remove specific knowledge from models while minimizing adverse effects on the behavior of the original language model. We demonstrate our method on multiple GPT2 variants, uncovering highly sparse subnetworks (98%+) that are solely responsible for specific collections of relational knowledge. When these subnetworks are removed, the remaining network maintains most of its initial capacity (modeling language and other memorized relational knowledge) but struggles to express the removed knowledge, and suffers performance drops on examples needing this removed knowledge on downstream tasks after finetuning.

Graph neural architecture search has sparked much attention as Graph Neural Networks (GNNs) have shown powerful reasoning capability in many relational tasks. However, the currently used graph search space overemphasizes learning node features and neglects mining hierarchical relational information. Moreover, due to diverse mechanisms in the message passing, the graph search space is much larger than that of CNNs. This hinders the straightforward application of classical search strategies for exploring complicated graph search space. We propose Automatic Relation-aware Graph Network Proliferation (ARGNP) for efficiently searching GNNs with a relation-guided message passing mechanism. Specifically, we first devise a novel dual relation-aware graph search space that comprises both node and relation learning operations. These operations can extract hierarchical node/relational information and provide anisotropic guidance for message passing on a graph. Second, analogous to cell proliferation, we design a network proliferation search paradigm to progressively determine the GNN architectures by iteratively performing network division and differentiation. The experiments on six datasets for four graph learning tasks demonstrate that GNNs produced by our method are superior to the current state-of-the-art hand-crafted and search-based GNNs. Codes are available at https://github.com/phython96/ARGNP.

We present a way to learn novel concepts by only using their textual description. We call this method Knowledge Transfer. Similarly to human perception, we leverage cross-modal interaction to introduce new concepts. We hypothesize that in a pre-trained visual encoder there are enough low-level features already learned (e.g. shape, appearance, color) that can be used to describe previously unknown high-level concepts. Provided with a textual description of the novel concept, our method works by aligning the known low-level features of the visual encoder to its high-level textual description. We show that Knowledge Transfer can successfully introduce novel concepts in multimodal models, in a very efficient manner, by only requiring a single description of the target concept. Our approach is compatible with both separate textual and visual encoders (e.g. CLIP) and shared parameters across modalities. We also show that, following the same principle, Knowledge Transfer can improve concepts already known by the model. Leveraging Knowledge Transfer we improve zero-shot performance across different tasks such as classification, segmentation, image-text retrieval, and captioning.

Large reasoning models (LRMs) have demonstrated impressive capabilities in complex problem-solving, yet their internal reasoning mechanisms remain poorly understood. In this paper, we investigate the reasoning trajectories of LRMs from an information-theoretic perspective. By tracking how mutual information (MI) between intermediate representations and the correct answer evolves during LRM reasoning, we observe an interesting MI peaks phenomenon: the MI at specific generative steps exhibits a sudden and significant increase during LRM's reasoning process. We theoretically analyze such phenomenon and show that as MI increases, the probability of model's prediction error decreases. Furthermore, these MI peaks often correspond to tokens expressing reflection or transition, such as ``Hmm'', ``Wait'' and ``Therefore,'' which we term as the thinking tokens. We then demonstrate that these thinking tokens are crucial for LRM's reasoning performance, while other tokens has minimal impacts. Building on these analyses, we propose two simple yet effective methods to improve LRM's reasoning performance, by delicately leveraging these thinking tokens. Overall, our work provides novel insights into the reasoning mechanisms of LRMs and offers practical ways to improve their reasoning capabilities. The code is available at https://github.com/ChnQ/MI-Peaks.

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

Foundation models have demonstrated remarkable capabilities across various domains, but developing analogous models for knowledge graphs presents unique challenges due to their dynamic nature and the need for cross-domain reasoning. To address these issues, we introduce \textsc{GraphOracle}, a relation-centric foundation model that unifies reasoning across knowledge graphs by converting them into Relation-Dependency Graphs (RDG), explicitly encoding compositional patterns with fewer edges than prior methods. A query-dependent attention mechanism is further developed to learn inductive representations for both relations and entities. Pre-training on diverse knowledge graphs, followed by minutes-level fine-tuning, enables effective generalization to unseen entities, relations, and entire graphs. Through comprehensive experiments on 31 diverse benchmarks spanning transductive, inductive, and cross-domain settings, we demonstrate consistent state-of-the-art performance with minimal adaptation, improving the prediction performance by up to 35\% compared to the strongest baselines.

This survey examines the rapidly evolving field of Deep Research systems -- AI-powered applications that automate complex research workflows through the integration of large language models, advanced information retrieval, and autonomous reasoning capabilities. We analyze more than 80 commercial and non-commercial implementations that have emerged since 2023, including OpenAI/Deep Research, Gemini/Deep Research, Perplexity/Deep Research, and numerous open-source alternatives. Through comprehensive examination, we propose a novel hierarchical taxonomy that categorizes systems according to four fundamental technical dimensions: foundation models and reasoning engines, tool utilization and environmental interaction, task planning and execution control, and knowledge synthesis and output generation. We explore the architectural patterns, implementation approaches, and domain-specific adaptations that characterize these systems across academic, scientific, business, and educational applications. Our analysis reveals both the significant capabilities of current implementations and the technical and ethical challenges they present regarding information accuracy, privacy, intellectual property, and accessibility. The survey concludes by identifying promising research directions in advanced reasoning architectures, multimodal integration, domain specialization, human-AI collaboration, and ecosystem standardization that will likely shape the future evolution of this transformative technology. By providing a comprehensive framework for understanding Deep Research systems, this survey contributes to both the theoretical understanding of AI-augmented knowledge work and the practical development of more capable, responsible, and accessible research technologies. The paper resources can be viewed at https://github.com/scienceaix/deepresearch.

Knowledge graphs are useful tools to organize, recommend and sort data. Hierarchies in knowledge graphs provide significant benefit in improving understanding and compartmentalization of the data within a knowledge graph. This work leverages large language models to generate and augment hierarchies in an existing knowledge graph. For small (<100,000 node) domain-specific KGs, we find that a combination of few-shot prompting with one-shot generation works well, while larger KG may require cyclical generation. We present techniques for augmenting hierarchies, which led to coverage increase by 98% for intents and 99% for colors in our knowledge graph.

Large language models (LLMs) have achieved remarkable success in contextual knowledge understanding. In this paper, we show that these concentrated massive values consistently emerge in specific regions of attention queries (Q) and keys (K) while not having such patterns in values (V) in various modern transformer-based LLMs (Q, K, and V mean the representations output by the query, key, and value layers respectively). Through extensive experiments, we further demonstrate that these massive values play a critical role in interpreting contextual knowledge (knowledge obtained from the current context window) rather than in retrieving parametric knowledge stored within the model's parameters. Our further investigation of quantization strategies reveals that ignoring these massive values leads to a pronounced drop in performance on tasks requiring rich contextual understanding, aligning with our analysis. Finally, we trace the emergence of concentrated massive values and find that such concentration is caused by Rotary Positional Encoding (RoPE), which has appeared since the first layers. These findings shed new light on how Q and K operate in LLMs and offer practical insights for model design and optimization. The Code is Available at https://github.com/MingyuJ666/Rope_with_LLM.

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

In-context Learning (ICL) enables large language models (LLMs) to tackle downstream tasks through sophisticated prompting and high-quality demonstrations. However, this traditional ICL paradigm shows limitations when facing complex mathematical reasoning tasks, primarily due to its heavy dependence on example quality and the necessity for human intervention in challenging scenarios. To address these limitations, this paper presents HiAR-ICL, a High-level Automated Reasoning paradigm in ICL that shifts focus from specific examples to abstract thinking patterns, extending the conventional concept of context in ICL. HiAR-ICL introduces five atomic reasoning actions as fundamental components for constructing chain-structured patterns. Using Monte Carlo Tree Search, we explore reasoning paths and construct thought cards to guide subsequent inference. We then develop a cognitive complexity framework that dynamically matches problems with appropriate thought cards. Experimental results demonstrate HiAR-ICL's effectiveness, achieving state-of-the-art accuracy (79.6%) on the MATH benchmark with Qwen2.5-7B-Instruct, surpassing GPT-4o (76.6%) and Claude 3.5 (71.1%).

With the widespread use of large language models (LLMs) in NLP tasks, researchers have discovered the potential of Chain-of-thought (CoT) to assist LLMs in accomplishing complex reasoning tasks by generating intermediate steps. However, human thought processes are often non-linear, rather than simply sequential chains of thoughts. Therefore, we propose Graph-of-Thought (GoT) reasoning, which models human thought processes not only as a chain but also as a graph. By representing thought units as nodes and connections between them as edges, our approach captures the non-sequential nature of human thinking and allows for a more realistic modeling of thought processes. Similar to Multimodal-CoT, we modeled GoT reasoning as a two-stage framework, generating rationales first and then producing the final answer. Specifically, we employ an additional graph-of-thoughts encoder for GoT representation learning and fuse the GoT representation with the original input representation through a gated fusion mechanism. We implement a GoT reasoning model on the T5 pre-trained model and evaluate its performance on a text-only reasoning task (GSM8K) and a multimodal reasoning task (ScienceQA). Our model achieves significant improvement over the strong CoT baseline with 3.41% and 5.08% on the GSM8K test set with T5-base and T5-large architectures, respectively. Additionally, our model boosts accuracy from 84.91% to 91.54% using the T5-base model and from 91.68% to 92.77% using the T5-large model over the state-of-the-art Multimodal-CoT on the ScienceQA test set. Experiments have shown that GoT achieves comparable results to Multimodal-CoT(large) with over 700M parameters, despite having fewer than 250M backbone model parameters, demonstrating the effectiveness of GoT.

Recent work has demonstrated that semantics specified by pretraining data influence how representations of different concepts are organized in a large language model (LLM). However, given the open-ended nature of LLMs, e.g., their ability to in-context learn, we can ask whether models alter these pretraining semantics to adopt alternative, context-specified ones. Specifically, if we provide in-context exemplars wherein a concept plays a different role than what the pretraining data suggests, do models reorganize their representations in accordance with these novel semantics? To answer this question, we take inspiration from the theory of conceptual role semantics and define a toy "graph tracing" task wherein the nodes of the graph are referenced via concepts seen during training (e.g., apple, bird, etc.) and the connectivity of the graph is defined via some predefined structure (e.g., a square grid). Given exemplars that indicate traces of random walks on the graph, we analyze intermediate representations of the model and find that as the amount of context is scaled, there is a sudden re-organization from pretrained semantic representations to in-context representations aligned with the graph structure. Further, we find that when reference concepts have correlations in their semantics (e.g., Monday, Tuesday, etc.), the context-specified graph structure is still present in the representations, but is unable to dominate the pretrained structure. To explain these results, we analogize our task to energy minimization for a predefined graph topology, providing evidence towards an implicit optimization process to infer context-specified semantics. Overall, our findings indicate scaling context-size can flexibly re-organize model representations, possibly unlocking novel capabilities.

We introduce XCOMPS in this work, a multilingual conceptual minimal pair dataset covering 17 languages. Using this dataset, we evaluate LLMs' multilingual conceptual understanding through metalinguistic prompting, direct probability measurement, and neurolinguistic probing. By comparing base, instruction-tuned, and knowledge-distilled models, we find that: 1) LLMs exhibit weaker conceptual understanding for low-resource languages, and accuracy varies across languages despite being tested on the same concept sets. 2) LLMs excel at distinguishing concept-property pairs that are visibly different but exhibit a marked performance drop when negative pairs share subtle semantic similarities. 3) Instruction tuning improves performance in concept understanding but does not enhance internal competence; knowledge distillation can enhance internal competence in conceptual understanding for low-resource languages with limited gains in explicit task performance. 4) More morphologically complex languages yield lower concept understanding scores and require deeper layers for conceptual reasoning.

Understanding objects is a central building block of artificial intelligence, especially for embodied AI. Even though object recognition excels with deep learning, current machines still struggle to learn higher-level knowledge, e.g., what attributes an object has, and what can we do with an object. In this work, we propose a challenging Object Concept Learning (OCL) task to push the envelope of object understanding. It requires machines to reason out object affordances and simultaneously give the reason: what attributes make an object possesses these affordances. To support OCL, we build a densely annotated knowledge base including extensive labels for three levels of object concept (category, attribute, affordance), and the causal relations of three levels. By analyzing the causal structure of OCL, we present a baseline, Object Concept Reasoning Network (OCRN). It leverages causal intervention and concept instantiation to infer the three levels following their causal relations. In experiments, OCRN effectively infers the object knowledge while following the causalities well. Our data and code are available at https://mvig-rhos.com/ocl.

Much of the knowledge encoded in transformer language models (LMs) may be expressed in terms of relations: relations between words and their synonyms, entities and their attributes, etc. We show that, for a subset of relations, this computation is well-approximated by a single linear transformation on the subject representation. Linear relation representations may be obtained by constructing a first-order approximation to the LM from a single prompt, and they exist for a variety of factual, commonsense, and linguistic relations. However, we also identify many cases in which LM predictions capture relational knowledge accurately, but this knowledge is not linearly encoded in their representations. Our results thus reveal a simple, interpretable, but heterogeneously deployed knowledge representation strategy in transformer LMs.

Relational video customization refers to the creation of personalized videos that depict user-specified relations between two subjects, a crucial task for comprehending real-world visual content. While existing methods can personalize subject appearances and motions, they still struggle with complex relational video customization, where precise relational modeling and high generalization across subject categories are essential. The primary challenge arises from the intricate spatial arrangements, layout variations, and nuanced temporal dynamics inherent in relations; consequently, current models tend to overemphasize irrelevant visual details rather than capturing meaningful interactions. To address these challenges, we propose DreamRelation, a novel approach that personalizes relations through a small set of exemplar videos, leveraging two key components: Relational Decoupling Learning and Relational Dynamics Enhancement. First, in Relational Decoupling Learning, we disentangle relations from subject appearances using relation LoRA triplet and hybrid mask training strategy, ensuring better generalization across diverse relationships. Furthermore, we determine the optimal design of relation LoRA triplet by analyzing the distinct roles of the query, key, and value features within MM-DiT's attention mechanism, making DreamRelation the first relational video generation framework with explainable components. Second, in Relational Dynamics Enhancement, we introduce space-time relational contrastive loss, which prioritizes relational dynamics while minimizing the reliance on detailed subject appearances. Extensive experiments demonstrate that DreamRelation outperforms state-of-the-art methods in relational video customization. Code and models will be made publicly available.

Existing datasets for narrative understanding often fail to represent the complexity and uncertainty of relationships in real-life social scenarios. To address this gap, we introduce a new benchmark, Conan, designed for extracting and analysing intricate character relation graphs from detective narratives. Specifically, we designed hierarchical relationship categories and manually extracted and annotated role-oriented relationships from the perspectives of various characters, incorporating both public relationships known to most characters and secret ones known to only a few. Our experiments with advanced Large Language Models (LLMs) like GPT-3.5, GPT-4, and Llama2 reveal their limitations in inferencing complex relationships and handling longer narratives. The combination of the Conan dataset and our pipeline strategy is geared towards understanding the ability of LLMs to comprehend nuanced relational dynamics in narrative contexts.

Integer sequences are of central importance to the modeling of concepts admitting complete finitary descriptions. We introduce a novel view on the learning of such concepts and lay down a set of benchmarking tasks aimed at conceptual understanding by machine learning models. These tasks indirectly assess model ability to abstract, and challenge them to reason both interpolatively and extrapolatively from the knowledge gained by observing representative examples. To further aid research in knowledge representation and reasoning, we present FACT, the Finitary Abstraction Comprehension Toolkit. The toolkit surrounds a large dataset of integer sequences comprising both organic and synthetic entries, a library for data pre-processing and generation, a set of model performance evaluation tools, and a collection of baseline model implementations, enabling the making of the future advancements with ease.

Large Language Models (LLMs) have achieved remarkable success across various tasks, yet their ability to learn incrementally without forgetting remains underexplored. Incremental learning (IL) is crucial as it enables models to acquire new knowledge while retaining previously learned information, akin to human learning. Existing benchmarks for IL are insufficient due to data leakage issues and the overqualification of LLMs. To address these challenges, we introduce Concept-1K, a novel dataset comprising 1,023 recently emerged concepts across diverse domains. The concepts in Concept-1K are discrete, interpretable units of knowledge that allow for fine-grained analysis of learning and forgetting processes. Using Concept-1K as a testbed, we aim to answer the question: ``Can LLMs learn new concepts incrementally without forgetting like humans?'' Our investigation reveals that LLMs still suffer from catastrophic forgetting and that LoRA, despite fine-tuning fewer parameters, may lead to more forgetting on training data. Additionally, we explore the roles of in-context learning, model scale, buffer size, and pretraining in IL performance. These findings highlight the strengths and limitations of LLMs in IL scenarios and provide a robust benchmark for future research.

We investigate the problem of producing structured graph representations of visual scenes. Our work analyzes the role of motifs: regularly appearing substructures in scene graphs. We present new quantitative insights on such repeated structures in the Visual Genome dataset. Our analysis shows that object labels are highly predictive of relation labels but not vice-versa. We also find that there are recurring patterns even in larger subgraphs: more than 50% of graphs contain motifs involving at least two relations. Our analysis motivates a new baseline: given object detections, predict the most frequent relation between object pairs with the given labels, as seen in the training set. This baseline improves on the previous state-of-the-art by an average of 3.6% relative improvement across evaluation settings. We then introduce Stacked Motif Networks, a new architecture designed to capture higher order motifs in scene graphs that further improves over our strong baseline by an average 7.1% relative gain. Our code is available at github.com/rowanz/neural-motifs.

Recent advancements in large language models have showcased their remarkable generalizability across various domains. However, their reasoning abilities still have significant room for improvement, especially when confronted with scenarios requiring multi-step reasoning. Although large language models possess extensive knowledge, their behavior, particularly in terms of reasoning, often fails to effectively utilize this knowledge to establish a coherent thinking paradigm. Generative language models sometimes show hallucinations as their reasoning procedures are unconstrained by logical principles. Aiming to improve the zero-shot chain-of-thought reasoning ability of large language models, we propose Logical Chain-of-Thought (LogiCoT), a neurosymbolic framework that leverages principles from symbolic logic to verify and revise the reasoning processes accordingly. Experimental evaluations conducted on language tasks in diverse domains, including arithmetic, commonsense, symbolic, causal inference, and social problems, demonstrate the efficacy of the enhanced reasoning paradigm by logic.

Pretrained transformers readily adapt to new sequence modeling tasks via zero-shot prompting, but relational domains still lack architectures that transfer across datasets and tasks. The core challenge is the diversity of relational data, with varying heterogeneous schemas, graph structures and functional dependencies. In this paper, we present the Relational Transformer (RT) architecture, which can be pretrained on diverse relational databases and directly applied to unseen datasets and tasks without task- or dataset-specific fine-tuning, or retrieval of in-context examples. RT (i) tokenizes cells with table/column metadata, (ii) is pretrained via masked token prediction, and (iii) utilizes a novel Relational Attention mechanism over columns, rows, and primary-foreign key links. Pretrained on RelBench datasets spanning tasks such as churn and sales forecasting, RT attains strong zero-shot performance, averaging 94% of fully supervised AUROC on binary classification tasks with a single forward pass of a 22M parameter model, as opposed to 84% for a 27B LLM. Fine-tuning yields state-of-the-art results with high sample efficiency. Our experiments show that RT's zero-shot transfer harnesses task-table context, relational attention patterns and schema semantics. Overall, RT provides a practical path toward foundation models for relational data.

We present the All-Seeing Project V2: a new model and dataset designed for understanding object relations in images. Specifically, we propose the All-Seeing Model V2 (ASMv2) that integrates the formulation of text generation, object localization, and relation comprehension into a relation conversation (ReC) task. Leveraging this unified task, our model excels not only in perceiving and recognizing all objects within the image but also in grasping the intricate relation graph between them, diminishing the relation hallucination often encountered by Multi-modal Large Language Models (MLLMs). To facilitate training and evaluation of MLLMs in relation understanding, we created the first high-quality ReC dataset ({AS-V2) which is aligned with the format of standard instruction tuning data. In addition, we design a new benchmark, termed Circular-based Relation Probing Evaluation (CRPE) for comprehensively evaluating the relation comprehension capabilities of MLLMs. Notably, our ASMv2 achieves an overall accuracy of 52.04 on this relation-aware benchmark, surpassing the 43.14 of LLaVA-1.5 by a large margin. We hope that our work can inspire more future research and contribute to the evolution towards artificial general intelligence. Our project is released at https://github.com/OpenGVLab/all-seeing.

Large Language Models (LLMs) have been successfully used in many natural-language tasks and applications including text generation and AI chatbots. They also are a promising new technology for concept-oriented deep learning (CODL). However, the prerequisite is that LLMs understand concepts and ensure conceptual consistency. We discuss these in this paper, as well as major uses of LLMs for CODL including concept extraction from text, concept graph extraction from text, and concept learning. Human knowledge consists of both symbolic (conceptual) knowledge and embodied (sensory) knowledge. Text-only LLMs, however, can represent only symbolic (conceptual) knowledge. Multimodal LLMs, on the other hand, are capable of representing the full range (conceptual and sensory) of human knowledge. We discuss conceptual understanding in visual-language LLMs, the most important multimodal LLMs, and major uses of them for CODL including concept extraction from image, concept graph extraction from image, and concept learning. While uses of LLMs for CODL are valuable standalone, they are particularly valuable as part of LLM applications such as AI chatbots.

Conventional representation learning algorithms for knowledge graphs (KG) map each entity to a unique embedding vector. Such a shallow lookup results in a linear growth of memory consumption for storing the embedding matrix and incurs high computational costs when working with real-world KGs. Drawing parallels with subword tokenization commonly used in NLP, we explore the landscape of more parameter-efficient node embedding strategies with possibly sublinear memory requirements. To this end, we propose NodePiece, an anchor-based approach to learn a fixed-size entity vocabulary. In NodePiece, a vocabulary of subword/sub-entity units is constructed from anchor nodes in a graph with known relation types. Given such a fixed-size vocabulary, it is possible to bootstrap an encoding and embedding for any entity, including those unseen during training. Experiments show that NodePiece performs competitively in node classification, link prediction, and relation prediction tasks while retaining less than 10% of explicit nodes in a graph as anchors and often having 10x fewer parameters. To this end, we show that a NodePiece-enabled model outperforms existing shallow models on a large OGB WikiKG 2 graph having 70x fewer parameters.

We introduce Graph of Thoughts (GoT): a framework that advances prompting capabilities in large language models (LLMs) beyond those offered by paradigms such as Chain-of-Thought or Tree of Thoughts (ToT). The key idea and primary advantage of GoT is the ability to model the information generated by an LLM as an arbitrary graph, where units of information ("LLM thoughts") are vertices, and edges correspond to dependencies between these vertices. This approach enables combining arbitrary LLM thoughts into synergistic outcomes, distilling the essence of whole networks of thoughts, or enhancing thoughts using feedback loops. We illustrate that GoT offers advantages over state of the art on different tasks, for example increasing the quality of sorting by 62% over ToT, while simultaneously reducing costs by >31%. We ensure that GoT is extensible with new thought transformations and thus can be used to spearhead new prompting schemes. This work brings the LLM reasoning closer to human thinking or brain mechanisms such as recurrence, both of which form complex networks.

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, especially when guided by explicit chain-of-thought (CoT) reasoning that verbalizes intermediate steps. While CoT improves both interpretability and accuracy, its dependence on natural language reasoning limits the model's expressive bandwidth. Latent reasoning tackles this bottleneck by performing multi-step inference entirely in the model's continuous hidden state, eliminating token-level supervision. To advance latent reasoning research, this survey provides a comprehensive overview of the emerging field of latent reasoning. We begin by examining the foundational role of neural network layers as the computational substrate for reasoning, highlighting how hierarchical representations support complex transformations. Next, we explore diverse latent reasoning methodologies, including activation-based recurrence, hidden state propagation, and fine-tuning strategies that compress or internalize explicit reasoning traces. Finally, we discuss advanced paradigms such as infinite-depth latent reasoning via masked diffusion models, which enable globally consistent and reversible reasoning processes. By unifying these perspectives, we aim to clarify the conceptual landscape of latent reasoning and chart future directions for research at the frontier of LLM cognition. An associated GitHub repository collecting the latest papers and repos is available at: https://github.com/multimodal-art-projection/LatentCoT-Horizon/.

Conceptual combination is a cognitive process that merges basic concepts, enabling the creation of complex expressions. During this process, the properties of combination (e.g., the whiteness of a peeled apple) can be inherited from basic concepts, newly emerge, or be canceled. However, previous studies have evaluated a limited set of properties and have not examined the generative process. To address this gap, we introduce the Conceptual Combination with Property Type dataset (CCPT), which consists of 12.3K annotated triplets of noun phrases, properties, and property types. Using CCPT, we establish three types of tasks to evaluate LLMs for conceptual combination thoroughly. Our key findings are threefold: (1) Our automatic metric grading property emergence and cancellation closely corresponds with human judgments. (2) LLMs, including OpenAI's o1, struggle to generate noun phrases which possess given emergent properties. (3) Our proposed method, inspired by cognitive psychology model that explains how relationships between concepts are formed, improves performances in all generative tasks. The dataset and experimental code are available at https://github.com/seokwon99/CCPT.git.

To provide more accurate, diverse, and explainable recommendation, it is compulsory to go beyond modeling user-item interactions and take side information into account. Traditional methods like factorization machine (FM) cast it as a supervised learning problem, which assumes each interaction as an independent instance with side information encoded. Due to the overlook of the relations among instances or items (e.g., the director of a movie is also an actor of another movie), these methods are insufficient to distill the collaborative signal from the collective behaviors of users. In this work, we investigate the utility of knowledge graph (KG), which breaks down the independent interaction assumption by linking items with their attributes. We argue that in such a hybrid structure of KG and user-item graph, high-order relations --- which connect two items with one or multiple linked attributes --- are an essential factor for successful recommendation. We propose a new method named Knowledge Graph Attention Network (KGAT) which explicitly models the high-order connectivities in KG in an end-to-end fashion. It recursively propagates the embeddings from a node's neighbors (which can be users, items, or attributes) to refine the node's embedding, and employs an attention mechanism to discriminate the importance of the neighbors. Our KGAT is conceptually advantageous to existing KG-based recommendation methods, which either exploit high-order relations by extracting paths or implicitly modeling them with regularization. Empirical results on three public benchmarks show that KGAT significantly outperforms state-of-the-art methods like Neural FM and RippleNet. Further studies verify the efficacy of embedding propagation for high-order relation modeling and the interpretability benefits brought by the attention mechanism.

Large Reasoning Models (LRMs) demonstrate remarkable capabilities on complex tasks, exhibiting emergent, human-like thinking patterns. Despite their advances, we identify a fundamental limitation: current LRMs lack a dedicated meta-level cognitive system-an essential faculty in human cognition that enables "thinking about thinking". This absence leaves their emergent abilities uncontrollable (non-adaptive reasoning), unreliable (intermediate error), and inflexible (lack of a clear methodology). To address this gap, we introduce Meta-R1, a systematic and generic framework that endows LRMs with explicit metacognitive capabilities. Drawing on principles from cognitive science, Meta-R1 decomposes the reasoning process into distinct object-level and meta-level components, orchestrating proactive planning, online regulation, and adaptive early stopping within a cascaded framework. Experiments on three challenging benchmarks and against eight competitive baselines demonstrate that Meta-R1 is: (I) high-performing, surpassing state-of-the-art methods by up to 27.3%; (II) token-efficient, reducing token consumption to 15.7% ~ 32.7% and improving efficiency by up to 14.8% when compared to its vanilla counterparts; and (III) transferable, maintaining robust performance across datasets and model backbones.

Large Language Models (LLMs) have emerged as powerful tools for Text-to-SQL tasks, exhibiting remarkable reasoning capabilities. Different from tasks such as math word problems and commonsense reasoning, SQL solutions have a relatively fixed pattern. This facilitates the investigation of whether LLMs can benefit from categorical thinking, mirroring how humans acquire knowledge through inductive reasoning based on comparable examples. In this study, we propose that employing query group partitioning allows LLMs to focus on learning the thought processes specific to a single problem type, consequently enhancing their reasoning abilities across diverse difficulty levels and problem categories. Our experiments reveal that multiple advanced LLMs, when equipped with PTD-SQL, can either surpass or match previous state-of-the-art (SOTA) methods on the Spider and BIRD datasets. Intriguingly, models with varying initial performances have exhibited significant improvements, mainly at the boundary of their capabilities after targeted drilling, suggesting a parallel with human progress. Code is available at https://github.com/lrlbbzl/PTD-SQL.

Ontologies comprising of concepts, their attributes, and relationships are used in many knowledge based AI systems. While there have been efforts towards populating domain specific ontologies, we examine the role of document structure in learning ontological relationships between concepts in any document corpus. Inspired by ideas from hypernym discovery and explainability, our method performs about 15 points more accurate than a stand-alone R-GCN model for this task.

We analyse perception and memory, using mathematical models for knowledge graphs and tensors, to gain insights into the corresponding functionalities of the human mind. Our discussion is based on the concept of propositional sentences consisting of subject-predicate-object (SPO) triples for expressing elementary facts. SPO sentences are the basis for most natural languages but might also be important for explicit perception and declarative memories, as well as intra-brain communication and the ability to argue and reason. A set of SPO sentences can be described as a knowledge graph, which can be transformed into an adjacency tensor. We introduce tensor models, where concepts have dual representations as indices and associated embeddings, two constructs we believe are essential for the understanding of implicit and explicit perception and memory in the brain. We argue that a biological realization of perception and memory imposes constraints on information processing. In particular, we propose that explicit perception and declarative memories require a semantic decoder, which, in a simple realization, is based on four layers: First, a sensory memory layer, as a buffer for sensory input, second, an index layer representing concepts, third, a memoryless representation layer for the broadcasting of information ---the "blackboard", or the "canvas" of the brain--- and fourth, a working memory layer as a processing center and data buffer. We discuss the operations of the four layers and relate them to the global workspace theory. In a Bayesian brain interpretation, semantic memory defines the prior for observable triple statements. We propose that ---in evolution and during development--- semantic memory, episodic memory, and natural language evolved as emergent properties in agents' process to gain a deeper understanding of sensory information.

This work introduces BioLORD, a new pre-training strategy for producing meaningful representations for clinical sentences and biomedical concepts. State-of-the-art methodologies operate by maximizing the similarity in representation of names referring to the same concept, and preventing collapse through contrastive learning. However, because biomedical names are not always self-explanatory, it sometimes results in non-semantic representations. BioLORD overcomes this issue by grounding its concept representations using definitions, as well as short descriptions derived from a multi-relational knowledge graph consisting of biomedical ontologies. Thanks to this grounding, our model produces more semantic concept representations that match more closely the hierarchical structure of ontologies. BioLORD establishes a new state of the art for text similarity on both clinical sentences (MedSTS) and biomedical concepts (MayoSRS).

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the Weisfeiler Lehman hierarchy. Starting from RP, we propose to explicitly assign labels to nodes as additional features to improve expressive power of message passing neural networks. The method is then extended to higher dimensional WL, leading to a novel k,l-WL algorithm, a more general framework than k-WL. Theoretically, we analyze the expressivity of k,l-WL with respect to k and l and unifies it with a great number of subgraph GNNs. Complexity reduction methods are also systematically discussed to build powerful and practical k,l-GNN instances. We theoretically and experimentally prove that our method is universally compatible and capable of improving the expressivity of any base GNN model. Our k,l-GNNs achieve superior performance on many synthetic and real-world datasets, which verifies the effectiveness of our framework.

Despite encouraging progress in 3D scene understanding, it remains challenging to develop an effective Large Multi-modal Model (LMM) that is capable of understanding and reasoning in complex 3D environments. Most previous methods typically encode 3D point and 2D image features separately, neglecting interactions between 2D semantics and 3D object properties, as well as the spatial relationships within the 3D environment. This limitation not only hinders comprehensive representations of 3D scene, but also compromises training and inference efficiency. To address these challenges, we propose a unified Instance-aware 3D Large Multi-modal Model (Inst3D-LMM) to deal with multiple 3D scene understanding tasks simultaneously. To obtain the fine-grained instance-level visual tokens, we first introduce a novel Multi-view Cross-Modal Fusion (MCMF) module to inject the multi-view 2D semantics into their corresponding 3D geometric features. For scene-level relation-aware tokens, we further present a 3D Instance Spatial Relation (3D-ISR) module to capture the intricate pairwise spatial relationships among objects. Additionally, we perform end-to-end multi-task instruction tuning simultaneously without the subsequent task-specific fine-tuning. Extensive experiments demonstrate that our approach outperforms the state-of-the-art methods across 3D scene understanding, reasoning and grounding tasks. Source code is available at https://github.com/hanxunyu/Inst3D-LMM

The relational data model was designed to facilitate large-scale data management and analytics. We consider the problem of how to differentiate computations expressed relationally. We show experimentally that a relational engine running an auto-differentiated relational algorithm can easily scale to very large datasets, and is competitive with state-of-the-art, special-purpose systems for large-scale distributed machine learning.

A promising application of AI to healthcare is the retrieval of information from electronic health records (EHRs), e.g. to aid clinicians in finding relevant information for a consultation or to recruit suitable patients for a study. This requires search capabilities far beyond simple string matching, including the retrieval of concepts (diagnoses, symptoms, medications, etc.) related to the one in question. The suitability of AI methods for such applications is tested by predicting the relatedness of concepts with known relatedness scores. However, all existing biomedical concept relatedness datasets are notoriously small and consist of hand-picked concept pairs. We open-source a novel concept relatedness benchmark overcoming these issues: it is six times larger than existing datasets and concept pairs are chosen based on co-occurrence in EHRs, ensuring their relevance for the application of interest. We present an in-depth analysis of our new dataset and compare it to existing ones, highlighting that it is not only larger but also complements existing datasets in terms of the types of concepts included. Initial experiments with state-of-the-art embedding methods show that our dataset is a challenging new benchmark for testing concept relatedness models.

Relational databases (RDBs) are composed of interconnected tables, where relationships between them are defined through foreign keys. Recent research on applying machine learning to RDBs has explored graph-based representations of RDBs, where rows of tables are modeled as nodes, and foreign key relationships are modeled as edges. RDB-to-graph modeling helps capture cross-table dependencies, ultimately leading to enhanced performance across diverse tasks. However, there are numerous ways to model RDBs as graphs, and performance varies significantly depending on the chosen graph model. In our analysis, applying a common heuristic rule for graph modeling leads to up to a 10% drop in performance compared to the best-performing graph model, which remains non-trivial to identify. To foster research on intelligent RDB-to-graph modeling, we introduce RDB2G-Bench, the first benchmark framework for evaluating such methods. We construct extensive datasets covering 5 real-world RDBs and 12 predictive tasks, resulting in around 50k graph-performance pairs for efficient and reproducible evaluations. Thanks to our precomputed datasets, we were able to benchmark 9 automatic RDB-to-graph modeling methods on the 12 tasks over 600x faster than on-the-fly evaluation, which requires repeated model training. Our analysis of the datasets and benchmark results reveals key structural patterns affecting graph model effectiveness, along with practical implications for effective graph modeling.

Machine learning about language can be improved by supplying it with specific knowledge and sources of external information. We present here a new version of the linked open data resource ConceptNet that is particularly well suited to be used with modern NLP techniques such as word embeddings. ConceptNet is a knowledge graph that connects words and phrases of natural language with labeled edges. Its knowledge is collected from many sources that include expert-created resources, crowd-sourcing, and games with a purpose. It is designed to represent the general knowledge involved in understanding language, improving natural language applications by allowing the application to better understand the meanings behind the words people use. When ConceptNet is combined with word embeddings acquired from distributional semantics (such as word2vec), it provides applications with understanding that they would not acquire from distributional semantics alone, nor from narrower resources such as WordNet or DBPedia. We demonstrate this with state-of-the-art results on intrinsic evaluations of word relatedness that translate into improvements on applications of word vectors, including solving SAT-style analogies.

Large Language Models (LLMs) have achieved impressive performance on complex reasoning tasks with Chain-of-Thought (CoT) prompting. However, conventional CoT relies on reasoning steps explicitly verbalized in natural language, introducing inefficiencies and limiting its applicability to abstract reasoning. To address this, there has been growing research interest in latent CoT reasoning, where inference occurs within latent spaces. By decoupling reasoning from language, latent reasoning promises richer cognitive representations and more flexible, faster inference. Researchers have explored various directions in this promising field, including training methodologies, structural innovations, and internal reasoning mechanisms. This paper presents a comprehensive overview and analysis of this reasoning paradigm. We begin by proposing a unified taxonomy from four perspectives: token-wise strategies, internal mechanisms, analysis, and applications. We then provide in-depth discussions and comparative analyses of representative methods, highlighting their design patterns, strengths, and open challenges. We aim to provide a structured foundation for advancing this emerging direction in LLM reasoning. The relevant papers will be regularly updated at https://github.com/EIT-NLP/Awesome-Latent-CoT.

E-commerce platforms should provide detailed product descriptions (attribute values) for effective product search and recommendation. However, attribute value information is typically not available for new products. To predict unseen attribute values, large quantities of labeled training data are needed to train a traditional supervised learning model. Typically, it is difficult, time-consuming, and costly to manually label large quantities of new product profiles. In this paper, we propose a novel method to efficiently and effectively extract unseen attribute values from new products in the absence of labeled data (zero-shot setting). We propose HyperPAVE, a multi-label zero-shot attribute value extraction model that leverages inductive inference in heterogeneous hypergraphs. In particular, our proposed technique constructs heterogeneous hypergraphs to capture complex higher-order relations (i.e. user behavior information) to learn more accurate feature representations for graph nodes. Furthermore, our proposed HyperPAVE model uses an inductive link prediction mechanism to infer future connections between unseen nodes. This enables HyperPAVE to identify new attribute values without the need for labeled training data. We conduct extensive experiments with ablation studies on different categories of the MAVE dataset. The results demonstrate that our proposed HyperPAVE model significantly outperforms existing classification-based, generation-based large language models for attribute value extraction in the zero-shot setting.

Task-oriented dialogue generation is challenging since the underlying knowledge is often dynamic and effectively incorporating knowledge into the learning process is hard. It is particularly challenging to generate both human-like and informative responses in this setting. Recent research primarily focused on various knowledge distillation methods where the underlying relationship between the facts in a knowledge base is not effectively captured. In this paper, we go one step further and demonstrate how the structural information of a knowledge graph can improve the system's inference capabilities. Specifically, we propose DialoKG, a novel task-oriented dialogue system that effectively incorporates knowledge into a language model. Our proposed system views relational knowledge as a knowledge graph and introduces (1) a structure-aware knowledge embedding technique, and (2) a knowledge graph-weighted attention masking strategy to facilitate the system selecting relevant information during the dialogue generation. An empirical evaluation demonstrates the effectiveness of DialoKG over state-of-the-art methods on several standard benchmark datasets.

Vision-Language Pretraining (VLP) has achieved remarkable success across various downstream tasks, but such gains are largely driven by scaling up on training data. Yet, literature methods treat image-text pairs as isolated training examples; this neglects the rich relational structure naturally present in many domains, such as e-commerce product co-purchase graphs and social recommendation networks. Inspired by neuroscientific evidence that human encodes knowledge as relationship cognitive maps, we introduce Structure-aware Language-Image Pretraining (SLIP). SLIP integrates a structural contrastive loss to align modalities while also modeling relationships between neighboring entities in a structured graph. To support this paradigm, we construct a large-scale Amazon Product Co-purchase Multimodal Graph Dataset, enabling structured cross-modality supervision at scale. Experiment results show that SLIP consistently outperforms CLIP on cross-modal retrieval and classification tasks in both zero-shot and few-shot settings, showing the value of relational supervision for cross-modal alignment.

Spatial relations are a basic part of human cognition. However, they are expressed in natural language in a variety of ways, and previous work has suggested that current vision-and-language models (VLMs) struggle to capture relational information. In this paper, we present Visual Spatial Reasoning (VSR), a dataset containing more than 10k natural text-image pairs with 65 types of spatial relations in English (such as: under, in front of, and facing). While using a seemingly simple annotation format, we show how the dataset includes challenging linguistic phenomena, such as varying reference frames. We demonstrate a large gap between human and model performance: the human ceiling is above 95%, while state-of-the-art models only achieve around 70%. We observe that VLMs' by-relation performances have little correlation with the number of training examples and the tested models are in general incapable of recognising relations concerning the orientations of objects.

The growing power of large language models (LLMs) has revolutionized how people access and utilize information. Notably, the LLMs excel at performing fine-grained data representation, which facilitates precise retrieval of information. They also generate high-quality answers based on external references, enabling the production of useful knowledge. The recent introduction of reasoning models, like OpenAI O1 and DeepSeek R1, marks another leap forward, highlighting LLMs' ability to think progressively before delivering final answers. This breakthrough significantly improves the ability to address complex tasks, e.g., coding and math proofs. Inspired by this progress, we aim to develop similar capabilities for retrieval models, which hold great promise for tackling critical challenges in the field, including multi-task retrieval, zero-shot retrieval, and tasks requiring intensive reasoning of complex relationships. With this motivation, we propose a novel approach called O1 Embedder, which generates useful thoughts for the input query before making retrieval for the target documents. To realize this objective, we conquer two technical difficulties. First, we design a data synthesis workflow, creating training signals for O1 Embedder by generating initial thoughts from an LLM-expert and subsequently refining them using a retrieval committee. Second, we optimize the training process, enabling a pre-trained model to be jointly fine-tuned to generate retrieval thoughts via behavior cloning and perform dense retrieval through contrastive learning. Our approach is evaluated by comprehensive experiments, where substantial improvements are achieved across 12 popular datasets, spanning both in-domain and out-of-domain scenarios. These results highlight O1 Embedder's remarkable accuracy and generalizability, paving the way for the development of next-generation IR foundation models.