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SubscribeWhat matters for Representation Alignment: Global Information or Spatial Structure?
Representation alignment (REPA) guides generative training by distilling representations from a strong, pretrained vision encoder to intermediate diffusion features. We investigate a fundamental question: what aspect of the target representation matters for generation, its global semantic information (e.g., measured by ImageNet-1K accuracy) or its spatial structure (i.e. pairwise cosine similarity between patch tokens)? Prevalent wisdom holds that stronger global semantic performance leads to better generation as a target representation. To study this, we first perform a large-scale empirical analysis across 27 different vision encoders and different model scales. The results are surprising; spatial structure, rather than global performance, drives the generation performance of a target representation. To further study this, we introduce two straightforward modifications, which specifically accentuate the transfer of spatial information. We replace the standard MLP projection layer in REPA with a simple convolution layer and introduce a spatial normalization layer for the external representation. Surprisingly, our simple method (implemented in <4 lines of code), termed iREPA, consistently improves convergence speed of REPA, across a diverse set of vision encoders, model sizes, and training variants (such as REPA, REPA-E, Meanflow, JiT etc). %, etc. Our work motivates revisiting the fundamental working mechanism of representational alignment and how it can be leveraged for improved training of generative models. The code and project page are available at https://end2end-diffusion.github.io/irepa
Solving Football by Exploiting Equilibrium Structure of 2p0s Differential Games with One-Sided Information
For a two-player imperfect-information extensive-form game (IIEFG) with K time steps and a player action space of size U, the game tree complexity is U^{2K}, causing existing IIEFG solvers to struggle with large or infinite (U,K), e.g., differential games with continuous action spaces. To partially address this scalability challenge, we focus on an important class of 2p0s games where the informed player (P1) knows the payoff while the uninformed player (P2) only has a belief over the set of I possible payoffs. Such games encompass a wide range of scenarios in sports, defense, cybersecurity, and finance. We prove that under mild conditions, P1's (resp. P2's) equilibrium strategy at any infostate concentrates on at most I (resp. I+1) action prototypes. When Ill U, this equilibrium structure causes the game tree complexity to collapse to I^K for P1 when P2 plays pure best responses, and (I+1)^K for P2 in a dual game where P1 plays pure best responses. We then show that exploiting this structure in standard learning modes, i.e., model-free multiagent reinforcement learning and model predictive control, is straightforward, leading to significant improvements in learning accuracy and efficiency from SOTA IIEFG solvers. Our demonstration solves a 22-player football game (K=10, U=infty) where the attacking team has to strategically conceal their intention until a critical moment in order to exploit information advantage. Code is available at https://github.com/ghimiremukesh/cams/tree/iclr
Structured RAG for Answering Aggregative Questions
Retrieval-Augmented Generation (RAG) has become the dominant approach for answering questions over large corpora. However, current datasets and methods are highly focused on cases where only a small part of the corpus (usually a few paragraphs) is relevant per query, and fail to capture the rich world of aggregative queries. These require gathering information from a large set of documents and reasoning over them. To address this gap, we propose S-RAG, an approach specifically designed for such queries. At ingestion time, S-RAG constructs a structured representation of the corpus; at inference time, it translates natural-language queries into formal queries over said representation. To validate our approach and promote further research in this area, we introduce two new datasets of aggregative queries: HOTELS and WORLD CUP. Experiments with S-RAG on the newly introduced datasets, as well as on a public benchmark, demonstrate that it substantially outperforms both common RAG systems and long-context LLMs.
SetCSE: Set Operations using Contrastive Learning of Sentence Embeddings
Taking inspiration from Set Theory, we introduce SetCSE, an innovative information retrieval framework. SetCSE employs sets to represent complex semantics and incorporates well-defined operations for structured information querying under the provided context. Within this framework, we introduce an inter-set contrastive learning objective to enhance comprehension of sentence embedding models concerning the given semantics. Furthermore, we present a suite of operations, including SetCSE intersection, difference, and operation series, that leverage sentence embeddings of the enhanced model for complex sentence retrieval tasks. Throughout this paper, we demonstrate that SetCSE adheres to the conventions of human language expressions regarding compounded semantics, provides a significant enhancement in the discriminatory capability of underlying sentence embedding models, and enables numerous information retrieval tasks involving convoluted and intricate prompts which cannot be achieved using existing querying methods.
An information theoretic necessary condition for perfect reconstruction
A new information theoretic condition is presented for reconstructing a discrete random variable X based on the knowledge of a set of discrete functions of X. The reconstruction condition is derived from Shannon's 1953 lattice theory with two entropic metrics of Shannon and Rajski. Because such a theoretical material is relatively unknown and appears quite dispersed in different references, we first provide a synthetic description (with complete proofs) of its concepts, such as total, common and complementary informations. Definitions and properties of the two entropic metrics are also fully detailed and shown compatible with the lattice structure. A new geometric interpretation of such a lattice structure is then investigated that leads to a necessary (and sometimes sufficient) condition for reconstructing the discrete random variable X given a set { X_1,ldots,X_{n} } of elements in the lattice generated by X. Finally, this condition is illustrated in five specific examples of perfect reconstruction problems: reconstruction of a symmetric random variable from the knowledge of its sign and absolute value, reconstruction of a word from a set of linear combinations, reconstruction of an integer from its prime signature (fundamental theorem of arithmetic) and from its remainders modulo a set of coprime integers (Chinese remainder theorem), and reconstruction of the sorting permutation of a list from a minimal set of pairwise comparisons.
GridFormer: Towards Accurate Table Structure Recognition via Grid Prediction
All tables can be represented as grids. Based on this observation, we propose GridFormer, a novel approach for interpreting unconstrained table structures by predicting the vertex and edge of a grid. First, we propose a flexible table representation in the form of an MXN grid. In this representation, the vertexes and edges of the grid store the localization and adjacency information of the table. Then, we introduce a DETR-style table structure recognizer to efficiently predict this multi-objective information of the grid in a single shot. Specifically, given a set of learned row and column queries, the recognizer directly outputs the vertexes and edges information of the corresponding rows and columns. Extensive experiments on five challenging benchmarks which include wired, wireless, multi-merge-cell, oriented, and distorted tables demonstrate the competitive performance of our model over other methods.
ReFocus: Visual Editing as a Chain of Thought for Structured Image Understanding
Structured image understanding, such as interpreting tables and charts, requires strategically refocusing across various structures and texts within an image, forming a reasoning sequence to arrive at the final answer. However, current multimodal large language models (LLMs) lack this multihop selective attention capability. In this work, we introduce ReFocus, a simple yet effective framework that equips multimodal LLMs with the ability to generate "visual thoughts" by performing visual editing on the input image through code, shifting and refining their visual focuses. Specifically, ReFocus enables multimodal LLMs to generate Python codes to call tools and modify the input image, sequentially drawing boxes, highlighting sections, and masking out areas, thereby enhancing the visual reasoning process. We experiment upon a wide range of structured image understanding tasks involving tables and charts. ReFocus largely improves performance on all tasks over GPT-4o without visual editing, yielding an average gain of 11.0% on table tasks and 6.8% on chart tasks. We present an in-depth analysis of the effects of different visual edits, and reasons why ReFocus can improve the performance without introducing additional information. Further, we collect a 14k training set using ReFocus, and prove that such visual chain-of-thought with intermediate information offers a better supervision than standard VQA data, reaching a 8.0% average gain over the same model trained with QA pairs and 2.6% over CoT.
Maximizing Efficiency of Dataset Compression for Machine Learning Potentials With Information Theory
Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets, and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.
WebShaper: Agentically Data Synthesizing via Information-Seeking Formalization
The advent of Large Language Model (LLM)-powered agents has revolutionized artificial intelligence by enabling solutions to complex, open-ended tasks through web-based information-seeking (IS) capabilities. The scarcity of high-quality training data has limited the development of IS agents. Existing approaches typically adopt an information-driven paradigm that first collects web data and then generates questions based on the retrieval. However, this may lead to inconsistency between information structure and reasoning structure, question and answer. To mitigate, we propose a formalization-driven IS data synthesis framework WebShaper to construct a dataset. WebShaper systematically formalizes IS tasks through set theory. Central to the formalization is the concept of Knowledge Projections (KP), which enables precise control over reasoning structure by KP operation compositions. During synthesis, we begin by creating seed tasks, then use a multi-step expansion process. At each step, an agentic Expander expands the current formal question more complex with retrieval and validation tools based on our formalization. We train our model on the synthesized dataset. Experiment results demonstrate that WebShaper achieves state-of-the-art performance among open-sourced IS agents on GAIA and WebWalkerQA benchmarks.
PartCrafter: Structured 3D Mesh Generation via Compositional Latent Diffusion Transformers
We introduce PartCrafter, the first structured 3D generative model that jointly synthesizes multiple semantically meaningful and geometrically distinct 3D meshes from a single RGB image. Unlike existing methods that either produce monolithic 3D shapes or follow two-stage pipelines, i.e., first segmenting an image and then reconstructing each segment, PartCrafter adopts a unified, compositional generation architecture that does not rely on pre-segmented inputs. Conditioned on a single image, it simultaneously denoises multiple 3D parts, enabling end-to-end part-aware generation of both individual objects and complex multi-object scenes. PartCrafter builds upon a pretrained 3D mesh diffusion transformer (DiT) trained on whole objects, inheriting the pretrained weights, encoder, and decoder, and introduces two key innovations: (1) A compositional latent space, where each 3D part is represented by a set of disentangled latent tokens; (2) A hierarchical attention mechanism that enables structured information flow both within individual parts and across all parts, ensuring global coherence while preserving part-level detail during generation. To support part-level supervision, we curate a new dataset by mining part-level annotations from large-scale 3D object datasets. Experiments show that PartCrafter outperforms existing approaches in generating decomposable 3D meshes, including parts that are not directly visible in input images, demonstrating the strength of part-aware generative priors for 3D understanding and synthesis. Code and training data will be released.
Large Language Models are Few-Shot Clinical Information Extractors
A long-running goal of the clinical NLP community is the extraction of important variables trapped in clinical notes. However, roadblocks have included dataset shift from the general domain and a lack of public clinical corpora and annotations. In this work, we show that large language models, such as InstructGPT, perform well at zero- and few-shot information extraction from clinical text despite not being trained specifically for the clinical domain. Whereas text classification and generation performance have already been studied extensively in such models, here we additionally demonstrate how to leverage them to tackle a diverse set of NLP tasks which require more structured outputs, including span identification, token-level sequence classification, and relation extraction. Further, due to the dearth of available data to evaluate these systems, we introduce new datasets for benchmarking few-shot clinical information extraction based on a manual re-annotation of the CASI dataset for new tasks. On the clinical extraction tasks we studied, the GPT-3 systems significantly outperform existing zero- and few-shot baselines.
From Graphs to Hypergraphs: Hypergraph Projection and its Remediation
We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.
ISLES'24: Final Infarct Prediction with Multimodal Imaging and Clinical Data. Where Do We Stand?
Accurate estimation of brain infarction (i.e., irreversibly damaged tissue) is critical for guiding treatment decisions in acute ischemic stroke. Reliable infarct prediction informs key clinical interventions, including the need for patient transfer to comprehensive stroke centers, the potential benefit of additional reperfusion attempts during mechanical thrombectomy, decisions regarding secondary neuroprotective treatments, and ultimately, prognosis of clinical outcomes. This work introduces the Ischemic Stroke Lesion Segmentation (ISLES) 2024 challenge, which focuses on the prediction of final infarct volumes from pre-interventional acute stroke imaging and clinical data. ISLES24 provides a comprehensive, multimodal setting where participants can leverage all clinically and practically available data, including full acute CT imaging, sub-acute follow-up MRI, and structured clinical information, across a train set of 150 cases. On the hidden test set of 98 cases, the top-performing model, a multimodal nnU-Net-based architecture, achieved a Dice score of 0.285 (+/- 0.213) and an absolute volume difference of 21.2 (+/- 37.2) mL, underlining the significant challenges posed by this task and the need for further advances in multimodal learning. This work makes two primary contributions: first, we establish a standardized, clinically realistic benchmark for post-treatment infarct prediction, enabling systematic evaluation of multimodal algorithmic strategies on a longitudinal stroke dataset; second, we analyze current methodological limitations and outline key research directions to guide the development of next-generation infarct prediction models.
FinTagging: An LLM-ready Benchmark for Extracting and Structuring Financial Information
We introduce FinTagging, the first full-scope, table-aware XBRL benchmark designed to evaluate the structured information extraction and semantic alignment capabilities of large language models (LLMs) in the context of XBRL-based financial reporting. Unlike prior benchmarks that oversimplify XBRL tagging as flat multi-class classification and focus solely on narrative text, FinTagging decomposes the XBRL tagging problem into two subtasks: FinNI for financial entity extraction and FinCL for taxonomy-driven concept alignment. It requires models to jointly extract facts and align them with the full 10k+ US-GAAP taxonomy across both unstructured text and structured tables, enabling realistic, fine-grained evaluation. We assess a diverse set of LLMs under zero-shot settings, systematically analyzing their performance on both subtasks and overall tagging accuracy. Our results reveal that, while LLMs demonstrate strong generalization in information extraction, they struggle with fine-grained concept alignment, particularly in disambiguating closely related taxonomy entries. These findings highlight the limitations of existing LLMs in fully automating XBRL tagging and underscore the need for improved semantic reasoning and schema-aware modeling to meet the demands of accurate financial disclosure. Code is available at our GitHub repository and data is at our Hugging Face repository.
Segment Anyword: Mask Prompt Inversion for Open-Set Grounded Segmentation
Open-set image segmentation poses a significant challenge because existing methods often demand extensive training or fine-tuning and generally struggle to segment unified objects consistently across diverse text reference expressions. Motivated by this, we propose Segment Anyword, a novel training-free visual concept prompt learning approach for open-set language grounded segmentation that relies on token-level cross-attention maps from a frozen diffusion model to produce segmentation surrogates or mask prompts, which are then refined into targeted object masks. Initial prompts typically lack coherence and consistency as the complexity of the image-text increases, resulting in suboptimal mask fragments. To tackle this issue, we further introduce a novel linguistic-guided visual prompt regularization that binds and clusters visual prompts based on sentence dependency and syntactic structural information, enabling the extraction of robust, noise-tolerant mask prompts, and significant improvements in segmentation accuracy. The proposed approach is effective, generalizes across different open-set segmentation tasks, and achieves state-of-the-art results of 52.5 (+6.8 relative) mIoU on Pascal Context 59, 67.73 (+25.73 relative) cIoU on gRefCOCO, and 67.4 (+1.1 relative to fine-tuned methods) mIoU on GranDf, which is the most complex open-set grounded segmentation task in the field.
Neighborhood-aware Scalable Temporal Network Representation Learning
Temporal networks have been widely used to model real-world complex systems such as financial systems and e-commerce systems. In a temporal network, the joint neighborhood of a set of nodes often provides crucial structural information useful for predicting whether they may interact at a certain time. However, recent representation learning methods for temporal networks often fail to extract such information or depend on online construction of structural features, which is time-consuming. To address the issue, this work proposes Neighborhood-Aware Temporal network model (NAT). For each node in the network, NAT abandons the commonly-used one-single-vector-based representation while adopting a novel dictionary-type neighborhood representation. Such a dictionary representation records a downsampled set of the neighboring nodes as keys, and allows fast construction of structural features for a joint neighborhood of multiple nodes. We also design a dedicated data structure termed N-cache to support parallel access and update of those dictionary representations on GPUs. NAT gets evaluated over seven real-world large-scale temporal networks. NAT not only outperforms all cutting-edge baselines by averaged 1.2% and 4.2% in transductive and inductive link prediction accuracy, respectively, but also keeps scalable by achieving a speed-up of 4.1-76.7x against the baselines that adopt joint structural features and achieves a speed-up of 1.6-4.0x against the baselines that cannot adopt those features. The link to the code: https: //github.com/Graph-COM/Neighborhood-Aware-Temporal-Network.
Multi-Label Knowledge Distillation
Existing knowledge distillation methods typically work by imparting the knowledge of output logits or intermediate feature maps from the teacher network to the student network, which is very successful in multi-class single-label learning. However, these methods can hardly be extended to the multi-label learning scenario, where each instance is associated with multiple semantic labels, because the prediction probabilities do not sum to one and feature maps of the whole example may ignore minor classes in such a scenario. In this paper, we propose a novel multi-label knowledge distillation method. On one hand, it exploits the informative semantic knowledge from the logits by dividing the multi-label learning problem into a set of binary classification problems; on the other hand, it enhances the distinctiveness of the learned feature representations by leveraging the structural information of label-wise embeddings. Experimental results on multiple benchmark datasets validate that the proposed method can avoid knowledge counteraction among labels, thus achieving superior performance against diverse comparing methods. Our code is available at: https://github.com/penghui-yang/L2D
Opus: A Quantitative Framework for Workflow Evaluation
This paper introduces the Opus Workflow Evaluation Framework, a probabilistic-normative formulation for quantifying Workflow quality and efficiency. It integrates notions of correctness, reliability, and cost into a coherent mathematical model that enables direct comparison, scoring, and optimization of Workflows. The framework combines the Opus Workflow Reward, a probabilistic function estimating expected performance through success likelihood, resource usage, and output gain, with the Opus Workflow Normative Penalties, a set of measurable functions capturing structural and informational quality across Cohesion, Coupling, Observability, and Information Hygiene. It supports automated Workflow assessment, ranking, and optimization within modern automation systems such as Opus and can be integrated into Reinforcement Learning loops to guide Workflow discovery and refinement. In this paper, we introduce the Opus Workflow Reward model that formalizes Workflow success as a probabilistic expectation over costs and outcomes. We define measurable Opus Workflow Normative Penalties capturing structural, semantic, and signal-related properties of Workflows. Finally, we propose a unified optimization formulation for identifying and ranking optimal Workflows under joint Reward-Penalty trade-offs.
SpatialPrompting: Keyframe-driven Zero-Shot Spatial Reasoning with Off-the-Shelf Multimodal Large Language Models
This study introduces SpatialPrompting, a novel framework that harnesses the emergent reasoning capabilities of off-the-shelf multimodal large language models to achieve zero-shot spatial reasoning in three-dimensional (3D) environments. Unlike existing methods that rely on expensive 3D-specific fine-tuning with specialized 3D inputs such as point clouds or voxel-based features, SpatialPrompting employs a keyframe-driven prompt generation strategy. This framework uses metrics such as vision-language similarity, Mahalanobis distance, field of view, and image sharpness to select a diverse and informative set of keyframes from image sequences and then integrates them with corresponding camera pose data to effectively abstract spatial relationships and infer complex 3D structures. The proposed framework not only establishes a new paradigm for flexible spatial reasoning that utilizes intuitive visual and positional cues but also achieves state-of-the-art zero-shot performance on benchmark datasets, such as ScanQA and SQA3D, across several metrics. The proposed method effectively eliminates the need for specialized 3D inputs and fine-tuning, offering a simpler and more scalable alternative to conventional approaches.
Information structures and their cohomology
We introduce the category of information structures, whose objects are suitable diagrams of measurable sets that encode the possible outputs of a given family of observables and their mutual relationships of refinement; they serve as mathematical models of contextuality in classical and quantum settings. Each information structure can be regarded as a ringed site with trivial topology; the structure ring is generated by the observables themselves and its multiplication corresponds to joint measurement. We extend Baudot and Bennequin's definition of information cohomology to this setting, as a derived functor in the category of modules over the structure ring, and show explicitly that the bar construction gives a projective resolution in that category, recovering in this way the cochain complexes previously considered in the literature. Finally, we study the particular case of a one-parameter family of coefficients made of functions of probability distributions. The only 1-cocycles are Shannon entropy or Tsallis alpha-entropy, depending on the value of the parameter.
Intensional Inheritance Between Concepts: An Information-Theoretic Interpretation
This paper addresses the problem of formalizing and quantifying the concept of "intensional inheritance" between two concepts. We begin by conceiving the intensional inheritance of W from F as the amount of information the proposition "x is F " provides about the proposition "x is W. To flesh this out, we consider concepts F and W defined by sets of properties left{F_{1}, F_{2}, ldots, F_{n}right} and left{W_{1}, W_{2}, ldots, W_{m}right} with associated degrees left{d_{1}, d_{2}, ldots, d_{n}right} and left{e_{1}, e_{2}, ldots, e_{m}right}, respectively, where the properties may overlap. We then derive formulas for the intensional inheritance using both Shannon information theory and algorithmic information theory, incorporating interaction information among properties. We examine a special case where all properties are mutually exclusive and calculate the intensional inheritance in this case in both frameworks. We also derive expressions for P(W mid F) based on the mutual information formula. Finally we consider the relationship between intensional inheritance and conventional set-theoretic "extensional" inheritance, concluding that in our information-theoretic framework, extensional inheritance emerges as a special case of intensional inheritance.
Learning to Learn from APIs: Black-Box Data-Free Meta-Learning
Data-free meta-learning (DFML) aims to enable efficient learning of new tasks by meta-learning from a collection of pre-trained models without access to the training data. Existing DFML work can only meta-learn from (i) white-box and (ii) small-scale pre-trained models (iii) with the same architecture, neglecting the more practical setting where the users only have inference access to the APIs with arbitrary model architectures and model scale inside. To solve this issue, we propose a Bi-level Data-free Meta Knowledge Distillation (BiDf-MKD) framework to transfer more general meta knowledge from a collection of black-box APIs to one single meta model. Specifically, by just querying APIs, we inverse each API to recover its training data via a zero-order gradient estimator and then perform meta-learning via a novel bi-level meta knowledge distillation structure, in which we design a boundary query set recovery technique to recover a more informative query set near the decision boundary. In addition, to encourage better generalization within the setting of limited API budgets, we propose task memory replay to diversify the underlying task distribution by covering more interpolated tasks. Extensive experiments in various real-world scenarios show the superior performance of our BiDf-MKD framework.
Polynomial Width is Sufficient for Set Representation with High-dimensional Features
Set representation has become ubiquitous in deep learning for modeling the inductive bias of neural networks that are insensitive to the input order. DeepSets is the most widely used neural network architecture for set representation. It involves embedding each set element into a latent space with dimension L, followed by a sum pooling to obtain a whole-set embedding, and finally mapping the whole-set embedding to the output. In this work, we investigate the impact of the dimension L on the expressive power of DeepSets. Previous analyses either oversimplified high-dimensional features to be one-dimensional features or were limited to analytic activations, thereby diverging from practical use or resulting in L that grows exponentially with the set size N and feature dimension D. To investigate the minimal value of L that achieves sufficient expressive power, we present two set-element embedding layers: (a) linear + power activation (LP) and (b) linear + exponential activations (LE). We demonstrate that L being poly(N, D) is sufficient for set representation using both embedding layers. We also provide a lower bound of L for the LP embedding layer. Furthermore, we extend our results to permutation-equivariant set functions and the complex field.
Shannon information and integrated information: message and meaning
Information theory, introduced by Shannon, has been extremely successful and influential as a mathematical theory of communication. Shannon's notion of information does not consider the meaning of the messages being communicated but only their probability. Even so, computational approaches regularly appeal to "information processing" to study how meaning is encoded and decoded in natural and artificial systems. Here, we contrast Shannon information theory with integrated information theory (IIT), which was developed to account for the presence and properties of consciousness. IIT considers meaning as integrated information and characterizes it as a structure, rather than as a message or code. In principle, IIT's axioms and postulates allow one to "unfold" a cause-effect structure from a substrate in a state, a structure that fully defines the intrinsic meaning of an experience and its contents. It follows that, for the communication of meaning, the cause-effect structures of sender and receiver must be similar.
Joint Reasoning on Hybrid-knowledge sources for Task-Oriented Dialog
Traditional systems designed for task oriented dialog utilize knowledge present only in structured knowledge sources to generate responses. However, relevant information required to generate responses may also reside in unstructured sources, such as documents. Recent state of the art models such as HyKnow and SeKnow aimed at overcoming these challenges make limiting assumptions about the knowledge sources. For instance, these systems assume that certain types of information, such as a phone number, is always present in a structured knowledge base (KB) while information about aspects such as entrance ticket prices, would always be available in documents. In this paper, we create a modified version of the MutliWOZ-based dataset prepared by SeKnow to demonstrate how current methods have significant degradation in performance when strict assumptions about the source of information are removed. Then, in line with recent work exploiting pre-trained language models, we fine-tune a BART based model using prompts for the tasks of querying knowledge sources, as well as, for response generation, without making assumptions about the information present in each knowledge source. Through a series of experiments, we demonstrate that our model is robust to perturbations to knowledge modality (source of information), and that it can fuse information from structured as well as unstructured knowledge to generate responses.
Level-S$^2$fM: Structure from Motion on Neural Level Set of Implicit Surfaces
This paper presents a neural incremental Structure-from-Motion (SfM) approach, Level-S^2fM, which estimates the camera poses and scene geometry from a set of uncalibrated images by learning coordinate MLPs for the implicit surfaces and the radiance fields from the established keypoint correspondences. Our novel formulation poses some new challenges due to inevitable two-view and few-view configurations in the incremental SfM pipeline, which complicates the optimization of coordinate MLPs for volumetric neural rendering with unknown camera poses. Nevertheless, we demonstrate that the strong inductive basis conveying in the 2D correspondences is promising to tackle those challenges by exploiting the relationship between the ray sampling schemes. Based on this, we revisit the pipeline of incremental SfM and renew the key components, including two-view geometry initialization, the camera poses registration, the 3D points triangulation, and Bundle Adjustment, with a fresh perspective based on neural implicit surfaces. By unifying the scene geometry in small MLP networks through coordinate MLPs, our Level-S^2fM treats the zero-level set of the implicit surface as an informative top-down regularization to manage the reconstructed 3D points, reject the outliers in correspondences via querying SDF, and refine the estimated geometries by NBA (Neural BA). Not only does our Level-S^2fM lead to promising results on camera pose estimation and scene geometry reconstruction, but it also shows a promising way for neural implicit rendering without knowing camera extrinsic beforehand.
Just read twice: closing the recall gap for recurrent language models
Recurrent large language models that compete with Transformers in language modeling perplexity are emerging at a rapid rate (e.g., Mamba, RWKV). Excitingly, these architectures use a constant amount of memory during inference. However, due to the limited memory, recurrent LMs cannot recall and use all the information in long contexts leading to brittle in-context learning (ICL) quality. A key challenge for efficient LMs is selecting what information to store versus discard. In this work, we observe the order in which information is shown to the LM impacts the selection difficulty. To formalize this, we show that the hardness of information recall reduces to the hardness of a problem called set disjointness (SD), a quintessential problem in communication complexity that requires a streaming algorithm (e.g., recurrent model) to decide whether inputted sets are disjoint. We empirically and theoretically show that the recurrent memory required to solve SD changes with set order, i.e., whether the smaller set appears first in-context. Our analysis suggests, to mitigate the reliance on data order, we can put information in the right order in-context or process prompts non-causally. Towards that end, we propose: (1) JRT-Prompt, where context gets repeated multiple times in the prompt, effectively showing the model all data orders. This gives 11.0 pm 1.3 points of improvement, averaged across 16 recurrent LMs and the 6 ICL tasks, with 11.9times higher throughput than FlashAttention-2 for generation prefill (length 32k, batch size 16, NVidia H100). We then propose (2) JRT-RNN, which uses non-causal prefix-linear-attention to process prompts and provides 99% of Transformer quality at 360M params., 30B tokens and 96% at 1.3B params., 50B tokens on average across the tasks, with 19.2times higher throughput for prefill than FA2.
Set Transformer: A Framework for Attention-based Permutation-Invariant Neural Networks
Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set, models used to address them should be permutation invariant. We present an attention-based neural network module, the Set Transformer, specifically designed to model interactions among elements in the input set. The model consists of an encoder and a decoder, both of which rely on attention mechanisms. In an effort to reduce computational complexity, we introduce an attention scheme inspired by inducing point methods from sparse Gaussian process literature. It reduces the computation time of self-attention from quadratic to linear in the number of elements in the set. We show that our model is theoretically attractive and we evaluate it on a range of tasks, demonstrating the state-of-the-art performance compared to recent methods for set-structured data.
Factorized Mutual Information Maximization
We investigate the sets of joint probability distributions that maximize the average multi-information over a collection of margins. These functionals serve as proxies for maximizing the multi-information of a set of variables or the mutual information of two subsets of variables, at a lower computation and estimation complexity. We describe the maximizers and their relations to the maximizers of the multi-information and the mutual information.
Enhancing Neural Subset Selection: Integrating Background Information into Set Representations
Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.
Markov Categories and Entropy
Markov categories are a novel framework to describe and treat problems in probability and information theory. In this work we combine the categorical formalism with the traditional quantitative notions of entropy, mutual information, and data processing inequalities. We show that several quantitative aspects of information theory can be captured by an enriched version of Markov categories, where the spaces of morphisms are equipped with a divergence or even a metric. As it is customary in information theory, mutual information can be defined as a measure of how far a joint source is from displaying independence of its components. More strikingly, Markov categories give a notion of determinism for sources and channels, and we can define entropy exactly by measuring how far a source or channel is from being deterministic. This recovers Shannon and R\'enyi entropies, as well as the Gini-Simpson index used in ecology to quantify diversity, and it can be used to give a conceptual definition of generalized entropy.
Document Structure aware Relational Graph Convolutional Networks for Ontology Population
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.
Knowledge is reward: Learning optimal exploration by predictive reward cashing
There is a strong link between the general concept of intelligence and the ability to collect and use information. The theory of Bayes-adaptive exploration offers an attractive optimality framework for training machines to perform complex information gathering tasks. However, the computational complexity of the resulting optimal control problem has limited the diffusion of the theory to mainstream deep AI research. In this paper we exploit the inherent mathematical structure of Bayes-adaptive problems in order to dramatically simplify the problem by making the reward structure denser while simultaneously decoupling the learning of exploitation and exploration policies. The key to this simplification comes from the novel concept of cross-value (i.e. the value of being in an environment while acting optimally according to another), which we use to quantify the value of currently available information. This results in a new denser reward structure that "cashes in" all future rewards that can be predicted from the current information state. In a set of experiments we show that the approach makes it possible to learn challenging information gathering tasks without the use of shaping and heuristic bonuses in situations where the standard RL algorithms fail.
Set-Encoder: Permutation-Invariant Inter-Passage Attention for Listwise Passage Re-Ranking with Cross-Encoders
Existing cross-encoder models can be categorized as pointwise, pairwise, or listwise. Pairwise and listwise models allow passage interactions, which typically makes them more effective than pointwise models but less efficient and less robust to input passage order permutations. To enable efficient permutation-invariant passage interactions during re-ranking, we propose a new cross-encoder architecture with inter-passage attention: the Set-Encoder. In experiments on TREC Deep Learning and TIREx, the Set-Encoder is as effective as state-of-the-art listwise models while being more efficient and invariant to input passage order permutations. Compared to pointwise models, the Set-Encoder is particularly more effective when considering inter-passage information, such as novelty, and retains its advantageous properties compared to other listwise models. Our code is publicly available at https://github.com/webis-de/ECIR-25.
PAC Prediction Sets for Large Language Models of Code
Prediction sets have recently been shown to be a promising strategy for quantifying the uncertainty of deep neural networks in a way that provides theoretical guarantees. However, existing techniques have largely targeted settings where the space of labels is simple, so prediction sets can be arbitrary subsets of labels. For structured prediction problems where the space of labels is exponential in size, even prediction sets containing a small fraction of all labels can be exponentially large. In the context of code generation, we propose a solution that considers a restricted set of prediction sets that can compactly be represented as partial programs, which are programs with portions replaced with holes. Given a trained code generation model, our algorithm leverages a programming language's abstract syntax tree to generate a set of programs such that the correct program is in the set with high-confidence. Valuable applications of our algorithm include a Codex-style code generator with holes in uncertain parts of the generated code, which provides a partial program with theoretical guarantees. We evaluate our approach on PICARD (a T5 model for SQL semantic parsing) and Codex (a GPT model for over a dozen programming languages, including Python), demonstrating that our approach generates compact PAC prediction sets. This is the first research contribution that generates PAC prediction sets for generative code models.
Locally Typical Sampling
Today's probabilistic language generators fall short when it comes to producing coherent and fluent text despite the fact that the underlying models perform well under standard metrics, e.g., perplexity. This discrepancy has puzzled the language generation community for the last few years. In this work, we posit that the abstraction of natural language generation as a discrete stochastic process--which allows for an information-theoretic analysis--can provide new insights into the behavior of probabilistic language generators, e.g., why high-probability texts can be dull or repetitive. Humans use language as a means of communicating information, aiming to do so in a simultaneously efficient and error-minimizing manner; in fact, psycholinguistics research suggests humans choose each word in a string with this subconscious goal in mind. We formally define the set of strings that meet this criterion: those for which each word has an information content close to the expected information content, i.e., the conditional entropy of our model. We then propose a simple and efficient procedure for enforcing this criterion when generating from probabilistic models, which we call locally typical sampling. Automatic and human evaluations show that, in comparison to nucleus and top-k sampling, locally typical sampling offers competitive performance (in both abstractive summarization and story generation) in terms of quality while consistently reducing degenerate repetitions.
AutoCoreset: An Automatic Practical Coreset Construction Framework
A coreset is a tiny weighted subset of an input set, that closely resembles the loss function, with respect to a certain set of queries. Coresets became prevalent in machine learning as they have shown to be advantageous for many applications. While coreset research is an active research area, unfortunately, coresets are constructed in a problem-dependent manner, where for each problem, a new coreset construction algorithm is usually suggested, a process that may take time or may be hard for new researchers in the field. Even the generic frameworks require additional (problem-dependent) computations or proofs to be done by the user. Besides, many problems do not have (provable) small coresets, limiting their applicability. To this end, we suggest an automatic practical framework for constructing coresets, which requires (only) the input data and the desired cost function from the user, without the need for any other task-related computation to be done by the user. To do so, we reduce the problem of approximating a loss function to an instance of vector summation approximation, where the vectors we aim to sum are loss vectors of a specific subset of the queries, such that we aim to approximate the image of the function on this subset. We show that while this set is limited, the coreset is quite general. An extensive experimental study on various machine learning applications is also conducted. Finally, we provide a ``plug and play" style implementation, proposing a user-friendly system that can be easily used to apply coresets for many problems. Full open source code can be found at https://github.com/alaamaalouf/AutoCoreset{https://github.com/alaamaalouf/AutoCoreset}. We believe that these contributions enable future research and easier use and applications of coresets.
Categorical Representation Learning: Morphism is All You Need
We provide a construction for categorical representation learning and introduce the foundations of "categorifier". The central theme in representation learning is the idea of everything to vector. Every object in a dataset S can be represented as a vector in R^n by an encoding map E: Obj(S)toR^n. More importantly, every morphism can be represented as a matrix E: Hom(S)toR^{n}_{n}. The encoding map E is generally modeled by a deep neural network. The goal of representation learning is to design appropriate tasks on the dataset to train the encoding map (assuming that an encoding is optimal if it universally optimizes the performance on various tasks). However, the latter is still a set-theoretic approach. The goal of the current article is to promote the representation learning to a new level via a category-theoretic approach. As a proof of concept, we provide an example of a text translator equipped with our technology, showing that our categorical learning model outperforms the current deep learning models by 17 times. The content of the current article is part of the recent US patent proposal (patent application number: 63110906).
What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization
Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE). To address this, recent work has added a calibration step, which exposes a model to its own ranked outputs to improve relevance or, in a separate line of work, contrasts positive and negative sets to improve faithfulness. While effective, much of this work has focused on how to generate and optimize these sets. Less is known about why one setup is more effective than another. In this work, we uncover the underlying characteristics of effective sets. For each training instance, we form a large, diverse pool of candidates and systematically vary the subsets used for calibration fine-tuning. Each selection strategy targets distinct aspects of the sets, such as lexical diversity or the size of the gap between positive and negatives. On three diverse scientific long-form summarization datasets (spanning biomedical, clinical, and chemical domains), we find, among others, that faithfulness calibration is optimal when the negative sets are extractive and more likely to be generated, whereas for relevance calibration, the metric margin between candidates should be maximized and surprise--the disagreement between model and metric defined candidate rankings--minimized. Code to create, select, and optimize calibration sets is available at https://github.com/griff4692/calibrating-summaries
A Graph Perspective to Probe Structural Patterns of Knowledge in Large Language Models
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.
SΩI: Score-based O-INFORMATION Estimation
The analysis of scientific data and complex multivariate systems requires information quantities that capture relationships among multiple random variables. Recently, new information-theoretic measures have been developed to overcome the shortcomings of classical ones, such as mutual information, that are restricted to considering pairwise interactions. Among them, the concept of information synergy and redundancy is crucial for understanding the high-order dependencies between variables. One of the most prominent and versatile measures based on this concept is O-information, which provides a clear and scalable way to quantify the synergy-redundancy balance in multivariate systems. However, its practical application is limited to simplified cases. In this work, we introduce SOmegaI, which allows for the first time to compute O-information without restrictive assumptions about the system. Our experiments validate our approach on synthetic data, and demonstrate the effectiveness of SOmegaI in the context of a real-world use case.
QUEST: A Retrieval Dataset of Entity-Seeking Queries with Implicit Set Operations
Formulating selective information needs results in queries that implicitly specify set operations, such as intersection, union, and difference. For instance, one might search for "shorebirds that are not sandpipers" or "science-fiction films shot in England". To study the ability of retrieval systems to meet such information needs, we construct QUEST, a dataset of 3357 natural language queries with implicit set operations, that map to a set of entities corresponding to Wikipedia documents. The dataset challenges models to match multiple constraints mentioned in queries with corresponding evidence in documents and correctly perform various set operations. The dataset is constructed semi-automatically using Wikipedia category names. Queries are automatically composed from individual categories, then paraphrased and further validated for naturalness and fluency by crowdworkers. Crowdworkers also assess the relevance of entities based on their documents and highlight attribution of query constraints to spans of document text. We analyze several modern retrieval systems, finding that they often struggle on such queries. Queries involving negation and conjunction are particularly challenging and systems are further challenged with combinations of these operations.
A Semantic Generalization of Shannon's Information Theory and Applications
Does semantic communication require a semantic information theory parallel to Shannon's information theory, or can Shannon's work be generalized for semantic communication? This paper advocates for the latter and introduces a semantic generalization of Shannon's information theory (G theory for short). The core idea is to replace the distortion constraint with the semantic constraint, achieved by utilizing a set of truth functions as a semantic channel. These truth functions enable the expressions of semantic distortion, semantic information measures, and semantic information loss. Notably, the maximum semantic information criterion is equivalent to the maximum likelihood criterion and similar to the Regularized Least Squares criterion. This paper shows G theory's applications to daily and electronic semantic communication, machine learning, constraint control, Bayesian confirmation, portfolio theory, and information value. The improvements in machine learning methods involve multilabel learning and classification, maximum mutual information classification, mixture models, and solving latent variables. Furthermore, insights from statistical physics are discussed: Shannon information is similar to free energy; semantic information to free energy in local equilibrium systems; and information efficiency to the efficiency of free energy in performing work. The paper also proposes refining Friston's minimum free energy principle into the maximum information efficiency principle. Lastly, it compares G theory with other semantic information theories and discusses its limitation in representing the semantics of complex data.
Deep Sets
We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.
A picture of the space of typical learnable tasks
We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.
Advances in Set Function Learning: A Survey of Techniques and Applications
Set function learning has emerged as a crucial area in machine learning, addressing the challenge of modeling functions that take sets as inputs. Unlike traditional machine learning that involves fixed-size input vectors where the order of features matters, set function learning demands methods that are invariant to permutations of the input set, presenting a unique and complex problem. This survey provides a comprehensive overview of the current development in set function learning, covering foundational theories, key methodologies, and diverse applications. We categorize and discuss existing approaches, focusing on deep learning approaches, such as DeepSets and Set Transformer based methods, as well as other notable alternative methods beyond deep learning, offering a complete view of current models. We also introduce various applications and relevant datasets, such as point cloud processing and multi-label classification, highlighting the significant progress achieved by set function learning methods in these domains. Finally, we conclude by summarizing the current state of set function learning approaches and identifying promising future research directions, aiming to guide and inspire further advancements in this promising field.
Structured Knowledge Accumulation: An Autonomous Framework for Layer-Wise Entropy Reduction in Neural Learning
We introduce the Structured Knowledge Accumulation (SKA) framework, which reinterprets entropy as a dynamic, layer-wise measure of knowledge alignment in neural networks. Instead of relying on traditional gradient-based optimization, SKA defines entropy in terms of knowledge vectors and their influence on decision probabilities across multiple layers. This formulation naturally leads to the emergence of activation functions such as the sigmoid as a consequence of entropy minimization. Unlike conventional backpropagation, SKA allows each layer to optimize independently by aligning its knowledge representation with changes in decision probabilities. As a result, total network entropy decreases in a hierarchical manner, allowing knowledge structures to evolve progressively. This approach provides a scalable, biologically plausible alternative to gradient-based learning, bridging information theory and artificial intelligence while offering promising applications in resource-constrained and parallel computing environments.
How Graph Structure and Label Dependencies Contribute to Node Classification in a Large Network of Documents
We introduce a new dataset named WikiVitals which contains a large graph of 48k mutually referred Wikipedia articles classified into 32 categories and connected by 2.3M edges. Our aim is to rigorously evaluate the contributions of three distinct sources of information to the label prediction in a semi-supervised node classification setting, namely the content of the articles, their connections with each other and the correlations among their labels. We perform this evaluation using a Graph Markov Neural Network which provides a theoretically principled model for this task and we conduct a detailed evaluation of the contributions of each sources of information using a clear separation of model selection and model assessment. One interesting observation is that including the effect of label dependencies is more relevant for sparse train sets than it is for dense train sets.
Identifying Informational Sources in News Articles
News articles are driven by the informational sources journalists use in reporting. Modeling when, how and why sources get used together in stories can help us better understand the information we consume and even help journalists with the task of producing it. In this work, we take steps toward this goal by constructing the largest and widest-ranging annotated dataset, to date, of informational sources used in news writing. We show that our dataset can be used to train high-performing models for information detection and source attribution. We further introduce a novel task, source prediction, to study the compositionality of sources in news articles. We show good performance on this task, which we argue is an important proof for narrative science exploring the internal structure of news articles and aiding in planning-based language generation, and an important step towards a source-recommendation system to aid journalists.
What is Dataset Distillation Learning?
Dataset distillation has emerged as a strategy to overcome the hurdles associated with large datasets by learning a compact set of synthetic data that retains essential information from the original dataset. While distilled data can be used to train high performing models, little is understood about how the information is stored. In this study, we posit and answer three questions about the behavior, representativeness, and point-wise information content of distilled data. We reveal distilled data cannot serve as a substitute for real data during training outside the standard evaluation setting for dataset distillation. Additionally, the distillation process retains high task performance by compressing information related to the early training dynamics of real models. Finally, we provide an framework for interpreting distilled data and reveal that individual distilled data points contain meaningful semantic information. This investigation sheds light on the intricate nature of distilled data, providing a better understanding on how they can be effectively utilized.
Simplicial Closure and higher-order link prediction
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.
Document Understanding, Measurement, and Manipulation Using Category Theory
We apply category theory to extract multimodal document structure which leads us to develop information theoretic measures, content summarization and extension, and self-supervised improvement of large pretrained models. We first develop a mathematical representation of a document as a category of question-answer pairs. Second, we develop an orthogonalization procedure to divide the information contained in one or more documents into non-overlapping pieces. The structures extracted in the first and second steps lead us to develop methods to measure and enumerate the information contained in a document. We also build on those steps to develop new summarization techniques, as well as to develop a solution to a new problem viz. exegesis resulting in an extension of the original document. Our question-answer pair methodology enables a novel rate distortion analysis of summarization techniques. We implement our techniques using large pretrained models, and we propose a multimodal extension of our overall mathematical framework. Finally, we develop a novel self-supervised method using RLVR to improve large pretrained models using consistency constraints such as composability and closure under certain operations that stem naturally from our category theoretic framework.
Further Generalizations of the Jaccard Index
Quantifying the similarity between two mathematical structures or datasets constitutes a particularly interesting and useful operation in several theoretical and applied problems. Aimed at this specific objective, the Jaccard index has been extensively used in the most diverse types of problems, also motivating some respective generalizations. The present work addresses further generalizations of this index, including its modification into a coincidence index capable of accounting also for the level of relative interiority between the two compared entities, as well as respective extensions for sets in continuous vector spaces, the generalization to multiset addition, densities and generic scalar fields, as well as a means to quantify the joint interdependence between two random variables. The also interesting possibility to take into account more than two sets has also been addressed, including the description of an index capable of quantifying the level of chaining between three structures. Several of the described and suggested eneralizations have been illustrated with respect to numeric case examples. It is also posited that these indices can play an important role while analyzing and integrating datasets in modeling approaches and pattern recognition activities, including as a measurement of clusters similarity or separation and as a resource for representing and analyzing complex networks.
Fundamental limits of overparametrized shallow neural networks for supervised learning
We carry out an information-theoretical analysis of a two-layer neural network trained from input-output pairs generated by a teacher network with matching architecture, in overparametrized regimes. Our results come in the form of bounds relating i) the mutual information between training data and network weights, or ii) the Bayes-optimal generalization error, to the same quantities but for a simpler (generalized) linear model for which explicit expressions are rigorously known. Our bounds, which are expressed in terms of the number of training samples, input dimension and number of hidden units, thus yield fundamental performance limits for any neural network (and actually any learning procedure) trained from limited data generated according to our two-layer teacher neural network model. The proof relies on rigorous tools from spin glasses and is guided by ``Gaussian equivalence principles'' lying at the core of numerous recent analyses of neural networks. With respect to the existing literature, which is either non-rigorous or restricted to the case of the learning of the readout weights only, our results are information-theoretic (i.e. are not specific to any learning algorithm) and, importantly, cover a setting where all the network parameters are trained.
Trajectories of Change: Approaches for Tracking Knowledge Evolution
We explore local vs. global evolution of knowledge systems through the framework of socio-epistemic networks (SEN), applying two complementary methods to a corpus of scientific texts. The framework comprises three interconnected layers-social, semiotic (material), and semantic-proposing a multilayered approach to understanding structural developments of knowledge. To analyse diachronic changes on the semantic layer, we first use information-theoretic measures based on relative entropy to detect semantic shifts, assess their significance, and identify key driving features. Second, variations in document embedding densities reveal changes in semantic neighbourhoods, tracking how concentration of similar documents increase, remain stable, or disperse. This enables us to trace document trajectories based on content (topics) or metadata (authorship, institution). Case studies of Joseph Silk and Hans-J\"urgen Treder illustrate how individual scholar's work aligns with broader disciplinary shifts in general relativity and gravitation research, demonstrating the applications, limitations, and further potential of this approach.
Knowledge Navigator: LLM-guided Browsing Framework for Exploratory Search in Scientific Literature
The exponential growth of scientific literature necessitates advanced tools for effective knowledge exploration. We present Knowledge Navigator, a system designed to enhance exploratory search abilities by organizing and structuring the retrieved documents from broad topical queries into a navigable, two-level hierarchy of named and descriptive scientific topics and subtopics. This structured organization provides an overall view of the research themes in a domain, while also enabling iterative search and deeper knowledge discovery within specific subtopics by allowing users to refine their focus and retrieve additional relevant documents. Knowledge Navigator combines LLM capabilities with cluster-based methods to enable an effective browsing method. We demonstrate our approach's effectiveness through automatic and manual evaluations on two novel benchmarks, CLUSTREC-COVID and SCITOC. Our code, prompts, and benchmarks are made publicly available.
To Compress or Not to Compress- Self-Supervised Learning and Information Theory: A Review
Deep neural networks have demonstrated remarkable performance in supervised learning tasks but require large amounts of labeled data. Self-supervised learning offers an alternative paradigm, enabling the model to learn from data without explicit labels. Information theory has been instrumental in understanding and optimizing deep neural networks. Specifically, the information bottleneck principle has been applied to optimize the trade-off between compression and relevant information preservation in supervised settings. However, the optimal information objective in self-supervised learning remains unclear. In this paper, we review various approaches to self-supervised learning from an information-theoretic standpoint and present a unified framework that formalizes the self-supervised information-theoretic learning problem. We integrate existing research into a coherent framework, examine recent self-supervised methods, and identify research opportunities and challenges. Moreover, we discuss empirical measurement of information-theoretic quantities and their estimators. This paper offers a comprehensive review of the intersection between information theory, self-supervised learning, and deep neural networks.
Object-Centric Learning with Slot Mixture Module
Object-centric architectures usually apply a differentiable module to the entire feature map to decompose it into sets of entity representations called slots. Some of these methods structurally resemble clustering algorithms, where the cluster's center in latent space serves as a slot representation. Slot Attention is an example of such a method, acting as a learnable analog of the soft k-means algorithm. Our work employs a learnable clustering method based on the Gaussian Mixture Model. Unlike other approaches, we represent slots not only as centers of clusters but also incorporate information about the distance between clusters and assigned vectors, leading to more expressive slot representations. Our experiments demonstrate that using this approach instead of Slot Attention improves performance in object-centric scenarios, achieving state-of-the-art results in the set property prediction task.
BIGPATENT: A Large-Scale Dataset for Abstractive and Coherent Summarization
Most existing text summarization datasets are compiled from the news domain, where summaries have a flattened discourse structure. In such datasets, summary-worthy content often appears in the beginning of input articles. Moreover, large segments from input articles are present verbatim in their respective summaries. These issues impede the learning and evaluation of systems that can understand an article's global content structure as well as produce abstractive summaries with high compression ratio. In this work, we present a novel dataset, BIGPATENT, consisting of 1.3 million records of U.S. patent documents along with human written abstractive summaries. Compared to existing summarization datasets, BIGPATENT has the following properties: i) summaries contain a richer discourse structure with more recurring entities, ii) salient content is evenly distributed in the input, and iii) lesser and shorter extractive fragments are present in the summaries. Finally, we train and evaluate baselines and popular learning models on BIGPATENT to shed light on new challenges and motivate future directions for summarization research.
ScIRGen: Synthesize Realistic and Large-Scale RAG Dataset for Scientific Research
Scientific researchers need intensive information about datasets to effectively evaluate and develop theories and methodologies. The information needs regarding datasets are implicitly embedded in particular research tasks, rather than explicitly expressed in search queries. However, existing scientific retrieval and question-answering (QA) datasets typically address straightforward questions, which do not align with the distribution of real-world research inquiries. To bridge this gap, we developed ScIRGen, a dataset generation framework for scientific QA \& retrieval that more accurately reflects the information needs of professional science researchers, and uses it to create a large-scale scientific retrieval-augmented generation (RAG) dataset with realistic queries, datasets and papers. Technically, we designed a dataset-oriented information extraction method that leverages academic papers to augment the dataset representation. We then proposed a question generation framework by employing cognitive taxonomy to ensure the quality of synthesized questions. We also design a method to automatically filter synthetic answers based on the perplexity shift of LLMs, which is highly aligned with human judgment of answers' validity. Collectively, these methodologies culminated in the creation of the 61k QA dataset, ScIRGen-Geo. We benchmarked representative methods on the ScIRGen-Geo dataset for their question-answering and retrieval capabilities, finding out that current methods still suffer from reasoning from complex questions. This work advances the development of more sophisticated tools to support the intricate information needs of the scientific community.
mPLUG-DocOwl 1.5: Unified Structure Learning for OCR-free Document Understanding
Structure information is critical for understanding the semantics of text-rich images, such as documents, tables, and charts. Existing Multimodal Large Language Models (MLLMs) for Visual Document Understanding are equipped with text recognition ability but lack general structure understanding abilities for text-rich document images. In this work, we emphasize the importance of structure information in Visual Document Understanding and propose the Unified Structure Learning to boost the performance of MLLMs. Our Unified Structure Learning comprises structure-aware parsing tasks and multi-grained text localization tasks across 5 domains: document, webpage, table, chart, and natural image. To better encode structure information, we design a simple and effective vision-to-text module H-Reducer, which can not only maintain the layout information but also reduce the length of visual features by merging horizontal adjacent patches through convolution, enabling the LLM to understand high-resolution images more efficiently. Furthermore, by constructing structure-aware text sequences and multi-grained pairs of texts and bounding boxes for publicly available text-rich images, we build a comprehensive training set DocStruct4M to support structure learning. Finally, we construct a small but high-quality reasoning tuning dataset DocReason25K to trigger the detailed explanation ability in the document domain. Our model DocOwl 1.5 achieves state-of-the-art performance on 10 visual document understanding benchmarks, improving the SOTA performance of MLLMs with a 7B LLM by more than 10 points in 5/10 benchmarks. Our codes, models, and datasets are publicly available at https://github.com/X-PLUG/mPLUG-DocOwl/tree/main/DocOwl1.5.
An Information-Theoretic Analysis of Nonstationary Bandit Learning
In nonstationary bandit learning problems, the decision-maker must continually gather information and adapt their action selection as the latent state of the environment evolves. In each time period, some latent optimal action maximizes expected reward under the environment state. We view the optimal action sequence as a stochastic process, and take an information-theoretic approach to analyze attainable performance. We bound limiting per-period regret in terms of the entropy rate of the optimal action process. The bound applies to a wide array of problems studied in the literature and reflects the problem's information structure through its information-ratio.
Shiva: A Framework for Graph Based Ontology Matching
Since long, corporations are looking for knowledge sources which can provide structured description of data and can focus on meaning and shared understanding. Structures which can facilitate open world assumptions and can be flexible enough to incorporate and recognize more than one name for an entity. A source whose major purpose is to facilitate human communication and interoperability. Clearly, databases fail to provide these features and ontologies have emerged as an alternative choice, but corporations working on same domain tend to make different ontologies. The problem occurs when they want to share their data/knowledge. Thus we need tools to merge ontologies into one. This task is termed as ontology matching. This is an emerging area and still we have to go a long way in having an ideal matcher which can produce good results. In this paper we have shown a framework to matching ontologies using graphs.
Causal de Finetti: On the Identification of Invariant Causal Structure in Exchangeable Data
Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.
Improving Document Representations by Generating Pseudo Query Embeddings for Dense Retrieval
Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency, the basic structure of these models is Bi-encoder in most cases. However, this simple structure may cause serious information loss during the encoding of documents since the queries are agnostic. To address this problem, we design a method to mimic the queries on each of the documents by an iterative clustering process and represent the documents by multiple pseudo queries (i.e., the cluster centroids). To boost the retrieval process using approximate nearest neighbor search library, we also optimize the matching function with a two-step score calculation procedure. Experimental results on several popular ranking and QA datasets show that our model can achieve state-of-the-art results.
A Named Entity Based Approach to Model Recipes
Traditional cooking recipes follow a structure which can be modelled very well if the rules and semantics of the different sections of the recipe text are analyzed and represented accurately. We propose a structure that can accurately represent the recipe as well as a pipeline to infer the best representation of the recipe in this uniform structure. The Ingredients section in a recipe typically lists down the ingredients required and corresponding attributes such as quantity, temperature, and processing state. This can be modelled by defining these attributes and their values. The physical entities which make up a recipe can be broadly classified into utensils, ingredients and their combinations that are related by cooking techniques. The instruction section lists down a series of events in which a cooking technique or process is applied upon these utensils and ingredients. We model these relationships in the form of tuples. Thus, using a combination of these methods we model cooking recipe in the dataset RecipeDB to show the efficacy of our method. This mined information model can have several applications which include translating recipes between languages, determining similarity between recipes, generation of novel recipes and estimation of the nutritional profile of recipes. For the purpose of recognition of ingredient attributes, we train the Named Entity Relationship (NER) models and analyze the inferences with the help of K-Means clustering. Our model presented with an F1 score of 0.95 across all datasets. We use a similar NER tagging model for labelling cooking techniques (F1 score = 0.88) and utensils (F1 score = 0.90) within the instructions section. Finally, we determine the temporal sequence of relationships between ingredients, utensils and cooking techniques for modeling the instruction steps.
Conformal Information Pursuit for Interactively Guiding Large Language Models
A significant use case of instruction-finetuned Large Language Models (LLMs) is to solve question-answering tasks interactively. In this setting, an LLM agent is tasked with making a prediction by sequentially querying relevant information from the user, as opposed to a single-turn conversation. This paper explores sequential querying strategies that aim to minimize the expected number of queries. One such strategy is Information Pursuit (IP), a greedy algorithm that at each iteration selects the query that maximizes information gain or equivalently minimizes uncertainty. However, obtaining accurate estimates of mutual information or conditional entropy for LLMs is very difficult in practice due to over- or under-confident LLM probabilities, which leads to suboptimal query selection and predictive performance. To better estimate the uncertainty at each iteration, we propose Conformal Information Pursuit (C-IP), an alternative approach to sequential information gain based on conformal prediction sets. More specifically, C-IP leverages a relationship between prediction sets and conditional entropy at each iteration to estimate uncertainty based on the average size of conformal prediction sets. In contrast to conditional entropy, we find that conformal prediction sets are a distribution-free and robust method of measuring uncertainty. Experiments with 20 Questions show that C-IP obtains better predictive performance and shorter query-answer chains compared to previous approaches to IP and uncertainty-based chain-of-thought methods. Furthermore, extending to an interactive medical setting between a doctor and a patient on the MediQ dataset, C-IP achieves competitive performance with direct single-turn prediction while offering greater interpretability.
PAC Prediction Sets Under Label Shift
Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting. This method estimates the predicted probabilities of the classes in a target domain, as well as the confusion matrix, then propagates uncertainty in these estimates through a Gaussian elimination algorithm to compute confidence intervals for importance weights. Finally, it uses these intervals to construct prediction sets. We evaluate our approach on five datasets: the CIFAR-10, ChestX-Ray and Entity-13 image datasets, the tabular CDC Heart dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller, more informative, prediction sets compared to several baselines.
Thinking Like an Annotator: Generation of Dataset Labeling Instructions
Large-scale datasets are essential to modern day deep learning. Advocates argue that understanding these methods requires dataset transparency (e.g. "dataset curation, motivation, composition, collection process, etc..."). However, almost no one has suggested the release of the detailed definitions and visual category examples provided to annotators - information critical to understanding the structure of the annotations present in each dataset. These labels are at the heart of public datasets, yet few datasets include the instructions that were used to generate them. We introduce a new task, Labeling Instruction Generation, to address missing publicly available labeling instructions. In Labeling Instruction Generation, we take a reasonably annotated dataset and: 1) generate a set of examples that are visually representative of each category in the dataset; 2) provide a text label that corresponds to each of the examples. We introduce a framework that requires no model training to solve this task and includes a newly created rapid retrieval system that leverages a large, pre-trained vision and language model. This framework acts as a proxy to human annotators that can help to both generate a final labeling instruction set and evaluate its quality. Our framework generates multiple diverse visual and text representations of dataset categories. The optimized instruction set outperforms our strongest baseline across 5 folds by 7.06 mAP for NuImages and 12.9 mAP for COCO.
Competing in a Complex Hidden Role Game with Information Set Monte Carlo Tree Search
Advances in intelligent game playing agents have led to successes in perfect information games like Go and imperfect information games like Poker. The Information Set Monte Carlo Tree Search (ISMCTS) family of algorithms outperforms previous algorithms using Monte Carlo methods in imperfect information games. In this paper, Single Observer Information Set Monte Carlo Tree Search (SO-ISMCTS) is applied to Secret Hitler, a popular social deduction board game that combines traditional hidden role mechanics with the randomness of a card deck. This combination leads to a more complex information model than the hidden role and card deck mechanics alone. It is shown in 10108 simulated games that SO-ISMCTS plays as well as simpler rule based agents, and demonstrates the potential of ISMCTS algorithms in complicated information set domains.
Do Dogs have Whiskers? A New Knowledge Base of hasPart Relations
We present a new knowledge-base of hasPart relationships, extracted from a large corpus of generic statements. Complementary to other resources available, it is the first which is all three of: accurate (90% precision), salient (covers relationships a person may mention), and has high coverage of common terms (approximated as within a 10 year old's vocabulary), as well as having several times more hasPart entries than in the popular ontologies ConceptNet and WordNet. In addition, it contains information about quantifiers, argument modifiers, and links the entities to appropriate concepts in Wikipedia and WordNet. The knowledge base is available at https://allenai.org/data/haspartkb
A Fundamental Duality in the Mathematical and Natural Sciences: From Logic to Biology
This is an essay in what might be called ``mathematical metaphysics.'' There is a fundamental duality that run through mathematics and the natural sciences. The duality starts as the logical level; it is represented by the Boolean logic of subsets and the logic of partitions since subsets and partitions are category-theoretic dual concepts. In more basic terms, it starts with the duality between the elements (Its) of subsets and the distinctions (Dits, i.e., ordered pairs of elements in different blocks) of a partition. Mathematically, the Its & Dits duality is fully developed in category theory as the reverse-the-arrows duality. The quantitative versions of subsets and partitions are developed as probability theory and information theory (based on logical entropy). Classical physics was based on a view of reality as definite all the way down. In contrast, quantum physics embodies (objective) indefiniteness. And finally, there are the two fundamental dual mechanisms at work in biology, the selectionist mechanism and the generative mechanism, two mechanisms that embody the fundamental duality.
L+M-24: Building a Dataset for Language + Molecules @ ACL 2024
Language-molecule models have emerged as an exciting direction for molecular discovery and understanding. However, training these models is challenging due to the scarcity of molecule-language pair datasets. At this point, datasets have been released which are 1) small and scraped from existing databases, 2) large but noisy and constructed by performing entity linking on the scientific literature, and 3) built by converting property prediction datasets to natural language using templates. In this document, we detail the L+M-24 dataset, which has been created for the Language + Molecules Workshop shared task at ACL 2024. In particular, L+M-24 is designed to focus on three key benefits of natural language in molecule design: compositionality, functionality, and abstraction.
Which Invariance Should We Transfer? A Causal Minimax Learning Approach
A major barrier to deploying current machine learning models lies in their non-reliability to dataset shifts. To resolve this problem, most existing studies attempted to transfer stable information to unseen environments. Particularly, independent causal mechanisms-based methods proposed to remove mutable causal mechanisms via the do-operator. Compared to previous methods, the obtained stable predictors are more effective in identifying stable information. However, a key question remains: which subset of this whole stable information should the model transfer, in order to achieve optimal generalization ability? To answer this question, we present a comprehensive minimax analysis from a causal perspective. Specifically, we first provide a graphical condition for the whole stable set to be optimal. When this condition fails, we surprisingly find with an example that this whole stable set, although can fully exploit stable information, is not the optimal one to transfer. To identify the optimal subset under this case, we propose to estimate the worst-case risk with a novel optimization scheme over the intervention functions on mutable causal mechanisms. We then propose an efficient algorithm to search for the subset with minimal worst-case risk, based on a newly defined equivalence relation between stable subsets. Compared to the exponential cost of exhaustively searching over all subsets, our searching strategy enjoys a polynomial complexity. The effectiveness and efficiency of our methods are demonstrated on synthetic data and the diagnosis of Alzheimer's disease.
Freeze-Thaw Bayesian Optimization
In this paper we develop a dynamic form of Bayesian optimization for machine learning models with the goal of rapidly finding good hyperparameter settings. Our method uses the partial information gained during the training of a machine learning model in order to decide whether to pause training and start a new model, or resume the training of a previously-considered model. We specifically tailor our method to machine learning problems by developing a novel positive-definite covariance kernel to capture a variety of training curves. Furthermore, we develop a Gaussian process prior that scales gracefully with additional temporal observations. Finally, we provide an information-theoretic framework to automate the decision process. Experiments on several common machine learning models show that our approach is extremely effective in practice.
A Systematic Investigation of KB-Text Embedding Alignment at Scale
Knowledge bases (KBs) and text often contain complementary knowledge: KBs store structured knowledge that can support long range reasoning, while text stores more comprehensive and timely knowledge in an unstructured way. Separately embedding the individual knowledge sources into vector spaces has demonstrated tremendous successes in encoding the respective knowledge, but how to jointly embed and reason with both knowledge sources to fully leverage the complementary information is still largely an open problem. We conduct a large-scale, systematic investigation of aligning KB and text embeddings for joint reasoning. We set up a novel evaluation framework with two evaluation tasks, few-shot link prediction and analogical reasoning, and evaluate an array of KB-text embedding alignment methods. We also demonstrate how such alignment can infuse textual information into KB embeddings for more accurate link prediction on emerging entities and events, using COVID-19 as a case study.
MITS: Enhanced Tree Search Reasoning for LLMs via Pointwise Mutual Information
Tree search has become as a representative framework for test-time reasoning with large language models (LLMs), exemplified by methods such as Tree-of-Thought and Monte Carlo Tree Search that explore multiple reasoning paths. However, it remains difficult to provide instant and reliable quantitative assessments of intermediate reasoning step quality, and extensive path exploration is computationally costly. To address this, we propose Mutual Information Tree Search (MITS), a novel framework that guides reasoning with information-theoretic principles. MITS introduces an effective scoring function based on pointwise mutual information (PMI), which enables step-wise evaluation of reasoning paths and search tree expansion via beam search without expensive look-ahead simulations, achieving superior reasoning performances while maintaining computational efficiency. The framework is complemented by an entropy-based dynamic sampling strategy that adaptively allocates computational resources to uncertain reasoning steps where exploration is most beneficial. For final prediction, MITS employs a weighted voting scheme that combines PMI scores with prediction consensus. Through comprehensive experiments on diverse reasoning benchmarks, MITS consistently surpasses baseline methods, establishing a principled and efficient framework for LLM reasoning.
Knowledge Graph Embedding: A Survey from the Perspective of Representation Spaces
Knowledge graph embedding (KGE) is an increasingly popular technique that aims to represent entities and relations of knowledge graphs into low-dimensional semantic spaces for a wide spectrum of applications such as link prediction, knowledge reasoning and knowledge completion. In this paper, we provide a systematic review of existing KGE techniques based on representation spaces. Particularly, we build a fine-grained classification to categorise the models based on three mathematical perspectives of the representation spaces: (1) Algebraic perspective, (2) Geometric perspective, and (3) Analytical perspective. We introduce the rigorous definitions of fundamental mathematical spaces before diving into KGE models and their mathematical properties. We further discuss different KGE methods over the three categories, as well as summarise how spatial advantages work over different embedding needs. By collating the experimental results from downstream tasks, we also explore the advantages of mathematical space in different scenarios and the reasons behind them. We further state some promising research directions from a representation space perspective, with which we hope to inspire researchers to design their KGE models as well as their related applications with more consideration of their mathematical space properties.
Linguistic and Structural Basis of Engineering Design Knowledge
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.
A Topological Approach to Measuring Training Data Quality
Data quality is crucial for the successful training, generalization and performance of artificial intelligence models. Furthermore, it is known that the leading approaches in artificial intelligence are notoriously data-hungry. In this paper, we propose the use of small training datasets towards faster training. Specifically, we provide a novel topological method based on morphisms between persistence modules to measure the training data quality with respect to the complete dataset. This way, we can provide an explanation of why the chosen training dataset will lead to poor performance.
An Introduction to Conditional Random Fields
Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.
Mapping and Cleaning Open Commonsense Knowledge Bases with Generative Translation
Structured knowledge bases (KBs) are the backbone of many know\-ledge-intensive applications, and their automated construction has received considerable attention. In particular, open information extraction (OpenIE) is often used to induce structure from a text. However, although it allows high recall, the extracted knowledge tends to inherit noise from the sources and the OpenIE algorithm. Besides, OpenIE tuples contain an open-ended, non-canonicalized set of relations, making the extracted knowledge's downstream exploitation harder. In this paper, we study the problem of mapping an open KB into the fixed schema of an existing KB, specifically for the case of commonsense knowledge. We propose approaching the problem by generative translation, i.e., by training a language model to generate fixed-schema assertions from open ones. Experiments show that this approach occupies a sweet spot between traditional manual, rule-based, or classification-based canonicalization and purely generative KB construction like COMET. Moreover, it produces higher mapping accuracy than the former while avoiding the association-based noise of the latter.
SOInter: A Novel Deep Energy Based Interpretation Method for Explaining Structured Output Models
We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.
Physics of Language Models: Part 3.3, Knowledge Capacity Scaling Laws
Scaling laws describe the relationship between the size of language models and their capabilities. Unlike prior studies that evaluate a model's capability via loss or benchmarks, we estimate the number of knowledge bits a model stores. We focus on factual knowledge represented as tuples, such as (USA, capital, Washington D.C.) from a Wikipedia page. Through multiple controlled datasets, we establish that language models can and only can store 2 bits of knowledge per parameter, even when quantized to int8, and such knowledge can be flexibly extracted for downstream applications. Consequently, a 7B model can store 14B bits of knowledge, surpassing the English Wikipedia and textbooks combined based on our estimation. More broadly, we present 12 results on how (1) training duration, (2) model architecture, (3) quantization, (4) sparsity constraints such as MoE, and (5) data signal-to-noise ratio affect a model's knowledge storage capacity. Notable insights include: * The GPT-2 architecture, with rotary embedding, matches or even surpasses LLaMA/Mistral architectures in knowledge storage, particularly over shorter training durations. This arises because LLaMA/Mistral uses GatedMLP, which is less stable and harder to train. * Prepending training data with domain names (e.g., wikipedia.org) significantly increases a model's knowledge capacity. Language models can autonomously identify and prioritize domains rich in knowledge, optimizing their storage capacity.
Patience is all you need! An agentic system for performing scientific literature review
Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where expert domain knowledge is required or the question is nuanced. Scientific research often involves searching for relevant literature, distilling pertinent information from that literature and analysing how the findings support or contradict one another. The information is often encapsulated in the full text body of research articles, rather than just in the abstracts. Statements within these articles frequently require the wider article context to be fully understood. We have built an LLM-based system that performs such search and distillation of information encapsulated in scientific literature, and we evaluate our keyword based search and information distillation system against a set of biology related questions from previously released literature benchmarks. We demonstrate sparse retrieval methods exhibit results close to state of the art without the need for dense retrieval, with its associated infrastructure and complexity overhead. We also show how to increase the coverage of relevant documents for literature review generation.
A Puzzle-Based Dataset for Natural Language Inference
We provide here a dataset for tasks related to natural language understanding and natural language inference. The dataset contains logical puzzles in natural language from three domains: comparing puzzles, knighs and knaves, and zebra puzzles. Each puzzle is associated with the entire set of atomic questions that can be generated based on the relations and individuals occurring in the text. For each question we provide the correct answer: entailment, contradiction or ambiguity. The answer's correctness is verified against theorem provers. Good puzzles have two properties: (i) each piece of information is necessary and (ii) no unnecessary information is provided. These properties make puzzles interesting candidates for machine comprehension tasks.
Untangling Gaussian Mixtures
Tangles were originally introduced as a concept to formalize regions of high connectivity in graphs. In recent years, they have also been discovered as a link between structural graph theory and data science: when interpreting similarity in data sets as connectivity between points, finding clusters in the data essentially amounts to finding tangles in the underlying graphs. This paper further explores the potential of tangles in data sets as a means for a formal study of clusters. Real-world data often follow a normal distribution. Accounting for this, we develop a quantitative theory of tangles in data sets drawn from Gaussian mixtures. To this end, we equip the data with a graph structure that models similarity between the points and allows us to apply tangle theory to the data. We provide explicit conditions under which tangles associated with the marginal Gaussian distributions exist asymptotically almost surely. This can be considered as a sufficient formal criterion for the separabability of clusters in the data.
Constructor Theory of Information
We present a theory of information expressed solely in terms of which transformations of physical systems are possible and which are impossible - i.e. in constructor-theoretic terms. Although it includes conjectured laws of physics that are directly about information, independently of the details of particular physical instantiations, it does not regard information as an a priori mathematical or logical concept, but as something whose nature and properties are determined by the laws of physics alone. It does not suffer from the circularity at the foundations of existing information theory (namely that information and distinguishability are each defined in terms of the other). It explains the relationship between classical and quantum information, and reveals the single, constructor-theoretic property underlying the most distinctive phenomena associated with the latter, including the lack of in-principle distinguishability of some states, the impossibility of cloning, the existence of pairs of variables that cannot simultaneously have sharp values, the fact that measurement processes can be both deterministic and unpredictable, the irreducible perturbation caused by measurement, and entanglement (locally inaccessible information).
Toward Formal Data Set Verification for Building Effective Machine Learning Models
In order to properly train a machine learning model, data must be properly collected. To guarantee a proper data collection, verifying that the collected data set holds certain properties is a possible solution. For example, guaranteeing that the data set contains samples across the whole input space, or that the data set is balanced w.r.t. different classes. We present a formal approach for verifying a set of arbitrarily stated properties over a data set. The proposed approach relies on the transformation of the data set into a first order logic formula, which can be later verified w.r.t. the different properties also stated in the same logic. A prototype tool, which uses the z3 solver, has been developed; the prototype can take as an input a set of properties stated in a formal language and formally verify a given data set w.r.t. to the given set of properties. Preliminary experimental results show the feasibility and performance of the proposed approach, and furthermore the flexibility for expressing properties of interest.
Sketching Meets Differential Privacy: Fast Algorithm for Dynamic Kronecker Projection Maintenance
Projection maintenance is one of the core data structure tasks. Efficient data structures for projection maintenance have led to recent breakthroughs in many convex programming algorithms. In this work, we further extend this framework to the Kronecker product structure. Given a constraint matrix {sf A} and a positive semi-definite matrix Win R^{ntimes n} with a sparse eigenbasis, we consider the task of maintaining the projection in the form of {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}, where {sf B}={sf A}(Wotimes I) or {sf B}={sf A}(W^{1/2}otimes W^{1/2}). At each iteration, the weight matrix W receives a low rank change and we receive a new vector h. The goal is to maintain the projection matrix and answer the query {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}h with good approximation guarantees. We design a fast dynamic data structure for this task and it is robust against an adaptive adversary. Following the beautiful and pioneering work of [Beimel, Kaplan, Mansour, Nissim, Saranurak and Stemmer, STOC'22], we use tools from differential privacy to reduce the randomness required by the data structure and further improve the running time.
The Geometry of Categorical and Hierarchical Concepts in Large Language Models
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.
Structured IB: Improving Information Bottleneck with Structured Feature Learning
The Information Bottleneck (IB) principle has emerged as a promising approach for enhancing the generalization, robustness, and interpretability of deep neural networks, demonstrating efficacy across image segmentation, document clustering, and semantic communication. Among IB implementations, the IB Lagrangian method, employing Lagrangian multipliers, is widely adopted. While numerous methods for the optimizations of IB Lagrangian based on variational bounds and neural estimators are feasible, their performance is highly dependent on the quality of their design, which is inherently prone to errors. To address this limitation, we introduce Structured IB, a framework for investigating potential structured features. By incorporating auxiliary encoders to extract missing informative features, we generate more informative representations. Our experiments demonstrate superior prediction accuracy and task-relevant information preservation compared to the original IB Lagrangian method, even with reduced network size.
Order Matters: Sequence to sequence for sets
Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.
STRUX: An LLM for Decision-Making with Structured Explanations
Countless decisions shape our daily lives, and it is paramount to understand the how and why behind these choices. In this paper, we introduce a new LLM decision-making framework called STRUX, which enhances LLM decision-making by providing structured explanations. These include favorable and adverse facts related to the decision, along with their respective strengths. STRUX begins by distilling lengthy information into a concise table of key facts. It then employs a series of self-reflection steps to determine which of these facts are pivotal, categorizing them as either favorable or adverse in relation to a specific decision. Lastly, we fine-tune an LLM to identify and prioritize these key facts to optimize decision-making. STRUX has been evaluated on the challenging task of forecasting stock investment decisions based on earnings call transcripts and demonstrated superior performance against strong baselines. It enhances decision transparency by allowing users to understand the impact of different factors, representing a meaningful step towards practical decision-making with LLMs.
Quantifying surprise in clinical care: Detecting highly informative events in electronic health records with foundation models
We present a foundation model-derived method to identify highly informative tokens and events in electronic health records. Our approach considers incoming data in the entire context of a patient's hospitalization and so can flag anomalous events that rule-based approaches would consider within a normal range. We demonstrate that the events our model flags are significant for predicting downstream patient outcomes and that a fraction of events identified as carrying little information can safely be dropped. Additionally, we show how informativeness can help interpret the predictions of prognostic models trained on foundation model-derived representations.
DataFinder: Scientific Dataset Recommendation from Natural Language Descriptions
Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.
YAGO 4.5: A Large and Clean Knowledge Base with a Rich Taxonomy
Knowledge Bases (KBs) find applications in many knowledge-intensive tasks and, most notably, in information retrieval. Wikidata is one of the largest public general-purpose KBs. Yet, its collaborative nature has led to a convoluted schema and taxonomy. The YAGO 4 KB cleaned up the taxonomy by incorporating the ontology of Schema.org, resulting in a cleaner structure amenable to automated reasoning. However, it also cut away large parts of the Wikidata taxonomy, which is essential for information retrieval. In this paper, we extend YAGO 4 with a large part of the Wikidata taxonomy - while respecting logical constraints and the distinction between classes and instances. This yields YAGO 4.5, a new, logically consistent version of YAGO that adds a rich layer of informative classes. An intrinsic and an extrinsic evaluation show the value of the new resource.
WebSRC: A Dataset for Web-Based Structural Reading Comprehension
Web search is an essential way for humans to obtain information, but it's still a great challenge for machines to understand the contents of web pages. In this paper, we introduce the task of structural reading comprehension (SRC) on web. Given a web page and a question about it, the task is to find the answer from the web page. This task requires a system not only to understand the semantics of texts but also the structure of the web page. Moreover, we proposed WebSRC, a novel Web-based Structural Reading Comprehension dataset. WebSRC consists of 400K question-answer pairs, which are collected from 6.4K web pages. Along with the QA pairs, corresponding HTML source code, screenshots, and metadata are also provided in our dataset. Each question in WebSRC requires a certain structural understanding of a web page to answer, and the answer is either a text span on the web page or yes/no. We evaluate various baselines on our dataset to show the difficulty of our task. We also investigate the usefulness of structural information and visual features. Our dataset and baselines have been publicly available at https://x-lance.github.io/WebSRC/.
Cleaning and Structuring the Label Space of the iMet Collection 2020
The iMet 2020 dataset is a valuable resource in the space of fine-grained art attribution recognition, but we believe it has yet to reach its true potential. We document the unique properties of the dataset and observe that many of the attribute labels are noisy, more than is implied by the dataset description. Oftentimes, there are also semantic relationships between the labels (e.g., identical, mutual exclusion, subsumption, overlap with uncertainty) which we believe are underutilized. We propose an approach to cleaning and structuring the iMet 2020 labels, and discuss the implications and value of doing so. Further, we demonstrate the benefits of our proposed approach through several experiments. Our code and cleaned labels are available at https://github.com/sunniesuhyoung/iMet2020cleaned.
Improving Knowledge Graph Embedding Using Simple Constraints
Embedding knowledge graphs (KGs) into continuous vector spaces is a focus of current research. Early works performed this task via simple models developed over KG triples. Recent attempts focused on either designing more complicated triple scoring models, or incorporating extra information beyond triples. This paper, by contrast, investigates the potential of using very simple constraints to improve KG embedding. We examine non-negativity constraints on entity representations and approximate entailment constraints on relation representations. The former help to learn compact and interpretable representations for entities. The latter further encode regularities of logical entailment between relations into their distributed representations. These constraints impose prior beliefs upon the structure of the embedding space, without negative impacts on efficiency or scalability. Evaluation on WordNet, Freebase, and DBpedia shows that our approach is simple yet surprisingly effective, significantly and consistently outperforming competitive baselines. The constraints imposed indeed improve model interpretability, leading to a substantially increased structuring of the embedding space. Code and data are available at https://github.com/iieir-km/ComplEx-NNE_AER.
Classifying Clustering Schemes
Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.
Decomposing Complex Queries for Tip-of-the-tongue Retrieval
When re-finding items, users who forget or are uncertain about identifying details often rely on creative strategies for expressing their information needs -- complex queries that describe content elements (e.g., book characters or events), information beyond the document text (e.g., descriptions of book covers), or personal context (e.g., when they read a book). This retrieval setting, called tip of the tongue (TOT), is especially challenging for models heavily reliant on lexical and semantic overlap between query and document text. In this work, we introduce a simple yet effective framework for handling such complex queries by decomposing the query into individual clues, routing those as sub-queries to specialized retrievers, and ensembling the results. This approach allows us to take advantage of off-the-shelf retrievers (e.g., CLIP for retrieving images of book covers) or incorporate retriever-specific logic (e.g., date constraints). We show that our framework incorportating query decompositions into retrievers can improve gold book recall up to 7% relative again for Recall@5 on a new collection of 14,441 real-world query-book pairs from an online community for resolving TOT inquiries.
AdapterSwap: Continuous Training of LLMs with Data Removal and Access-Control Guarantees
Large language models (LLMs) are increasingly capable of completing knowledge intensive tasks by recalling information from a static pretraining corpus. Here we are concerned with LLMs in the context of evolving data requirements. For instance: batches of new data that are introduced periodically; subsets of data with user-based access controls; or requirements on dynamic removal of documents with guarantees that associated knowledge cannot be recalled. We wish to satisfy these requirements while at the same time ensuring a model does not forget old information when new data becomes available. To address these issues, we introduce AdapterSwap, a training and inference scheme that organizes knowledge from a data collection into a set of low-rank adapters, which are dynamically composed during inference. Our experiments demonstrate AdapterSwap's ability to support efficient continual learning, while also enabling organizations to have fine-grained control over data access and deletion.
Retrieval-Augmented Code Generation for Universal Information Extraction
Information Extraction (IE) aims to extract structural knowledge (e.g., entities, relations, events) from natural language texts, which brings challenges to existing methods due to task-specific schemas and complex text expressions. Code, as a typical kind of formalized language, is capable of describing structural knowledge under various schemas in a universal way. On the other hand, Large Language Models (LLMs) trained on both codes and texts have demonstrated powerful capabilities of transforming texts into codes, which provides a feasible solution to IE tasks. Therefore, in this paper, we propose a universal retrieval-augmented code generation framework based on LLMs, called Code4UIE, for IE tasks. Specifically, Code4UIE adopts Python classes to define task-specific schemas of various structural knowledge in a universal way. By so doing, extracting knowledge under these schemas can be transformed into generating codes that instantiate the predefined Python classes with the information in texts. To generate these codes more precisely, Code4UIE adopts the in-context learning mechanism to instruct LLMs with examples. In order to obtain appropriate examples for different tasks, Code4UIE explores several example retrieval strategies, which can retrieve examples semantically similar to the given texts. Extensive experiments on five representative IE tasks across nine datasets demonstrate the effectiveness of the Code4UIE framework.
MatKB: Semantic Search for Polycrystalline Materials Synthesis Procedures
In this paper, we present a novel approach to knowledge extraction and retrieval using Natural Language Processing (NLP) techniques for material science. Our goal is to automatically mine structured knowledge from millions of research articles in the field of polycrystalline materials and make it easily accessible to the broader community. The proposed method leverages NLP techniques such as entity recognition and document classification to extract relevant information and build an extensive knowledge base, from a collection of 9.5 Million publications. The resulting knowledge base is integrated into a search engine, which enables users to search for information about specific materials, properties, and experiments with greater precision than traditional search engines like Google. We hope our results can enable material scientists quickly locate desired experimental procedures, compare their differences, and even inspire them to design new experiments. Our website will be available at Github https://github.com/Xianjun-Yang/PcMSP.git soon.
Datasheets for Datasets
The machine learning community currently has no standardized process for documenting datasets, which can lead to severe consequences in high-stakes domains. To address this gap, we propose datasheets for datasets. In the electronics industry, every component, no matter how simple or complex, is accompanied with a datasheet that describes its operating characteristics, test results, recommended uses, and other information. By analogy, we propose that every dataset be accompanied with a datasheet that documents its motivation, composition, collection process, recommended uses, and so on. Datasheets for datasets will facilitate better communication between dataset creators and dataset consumers, and encourage the machine learning community to prioritize transparency and accountability.
HiBench: Benchmarking LLMs Capability on Hierarchical Structure Reasoning
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.
Symlink: A New Dataset for Scientific Symbol-Description Linking
Mathematical symbols and descriptions appear in various forms across document section boundaries without explicit markup. In this paper, we present a new large-scale dataset that emphasizes extracting symbols and descriptions in scientific documents. Symlink annotates scientific papers of 5 different domains (i.e., computer science, biology, physics, mathematics, and economics). Our experiments on Symlink demonstrate the challenges of the symbol-description linking task for existing models and call for further research effort in this area. We will publicly release Symlink to facilitate future research.
Forget BIT, It is All about TOKEN: Towards Semantic Information Theory for LLMs
Large language models (LLMs) have demonstrated remarkable capabilities in numerous real-world applications. While the vast majority of research conducted from an experimental perspective is progressing rapidly, it demands substantial computational power, data, and other resources. Therefore, how to open the black-box of LLMs from a theoretical standpoint has become a critical challenge. This paper takes the theory of rate-distortion function, directed information, and Granger causality as its starting point to investigate the information-theoretic principles behind LLMs, leading to the development of semantic information theory for LLMs, where the fundamental unit is token, rather than bits that lacks any semantic meaning. By defining the probabilistic model of LLMs, we discuss structure-agnostic information-theoretic measures, such as the directed rate-distortion function in pre-training, the directed rate-reward function in post-training, and the semantic information flow in inference phase. This paper also delves deeply into the theory of token-level semantic embedding and the information-theoretically optimal vectorization method. Thereafter, we propose a general definition of autoregression LLM, where the Transformer architecture and its performance such as ELBO, generalization error bound, memory capacity, and semantic information measures can be derived theoretically. Other architectures, such as Mamba/Mamba2 and LLaDA, are also discussed in our framework. Consequently, this paper provides a theoretical framework for understanding LLMs from the perspective of semantic information theory, which also offers the necessary theoretical tools for further in-depth research.
Describing Differences in Image Sets with Natural Language
How do two sets of images differ? Discerning set-level differences is crucial for understanding model behaviors and analyzing datasets, yet manually sifting through thousands of images is impractical. To aid in this discovery process, we explore the task of automatically describing the differences between two sets of images, which we term Set Difference Captioning. This task takes in image sets D_A and D_B, and outputs a description that is more often true on D_A than D_B. We outline a two-stage approach that first proposes candidate difference descriptions from image sets and then re-ranks the candidates by checking how well they can differentiate the two sets. We introduce VisDiff, which first captions the images and prompts a language model to propose candidate descriptions, then re-ranks these descriptions using CLIP. To evaluate VisDiff, we collect VisDiffBench, a dataset with 187 paired image sets with ground truth difference descriptions. We apply VisDiff to various domains, such as comparing datasets (e.g., ImageNet vs. ImageNetV2), comparing classification models (e.g., zero-shot CLIP vs. supervised ResNet), summarizing model failure modes (supervised ResNet), characterizing differences between generative models (e.g., StableDiffusionV1 and V2), and discovering what makes images memorable. Using VisDiff, we are able to find interesting and previously unknown differences in datasets and models, demonstrating its utility in revealing nuanced insights.
Knowledge Homophily in Large Language Models
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.
GPTKB v1.5: A Massive Knowledge Base for Exploring Factual LLM Knowledge
Language models are powerful tools, yet their factual knowledge is still poorly understood, and inaccessible to ad-hoc browsing and scalable statistical analysis. This demonstration introduces GPTKB v1.5, a densely interlinked 100-million-triple knowledge base (KB) built for $14,000 from GPT-4.1, using the GPTKB methodology for massive-recursive LLM knowledge materialization (Hu et al., ACL 2025). The demonstration experience focuses on three use cases: (1) link-traversal-based LLM knowledge exploration, (2) SPARQL-based structured LLM knowledge querying, (3) comparative exploration of the strengths and weaknesses of LLM knowledge. Massive-recursive LLM knowledge materialization is a groundbreaking opportunity both for the research area of systematic analysis of LLM knowledge, as well as for automated KB construction. The GPTKB demonstrator is accessible at https://gptkb.org.
Statements: Universal Information Extraction from Tables with Large Language Models for ESG KPIs
Environment, Social, and Governance (ESG) KPIs assess an organization's performance on issues such as climate change, greenhouse gas emissions, water consumption, waste management, human rights, diversity, and policies. ESG reports convey this valuable quantitative information through tables. Unfortunately, extracting this information is difficult due to high variability in the table structure as well as content. We propose Statements, a novel domain agnostic data structure for extracting quantitative facts and related information. We propose translating tables to statements as a new supervised deep-learning universal information extraction task. We introduce SemTabNet - a dataset of over 100K annotated tables. Investigating a family of T5-based Statement Extraction Models, our best model generates statements which are 82% similar to the ground-truth (compared to baseline of 21%). We demonstrate the advantages of statements by applying our model to over 2700 tables from ESG reports. The homogeneous nature of statements permits exploratory data analysis on expansive information found in large collections of ESG reports.
The Consciousness Prior
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.
Can "consciousness" be observed from large language model (LLM) internal states? Dissecting LLM representations obtained from Theory of Mind test with Integrated Information Theory and Span Representation analysis
Integrated Information Theory (IIT) provides a quantitative framework for explaining consciousness phenomenon, positing that conscious systems comprise elements integrated through causal properties. We apply IIT 3.0 and 4.0 -- the latest iterations of this framework -- to sequences of Large Language Model (LLM) representations, analyzing data derived from existing Theory of Mind (ToM) test results. Our study systematically investigates whether the differences of ToM test performances, when presented in the LLM representations, can be revealed by IIT estimates, i.e., Phi^{max} (IIT 3.0), Phi (IIT 4.0), Conceptual Information (IIT 3.0), and Phi-structure (IIT 4.0). Furthermore, we compare these metrics with the Span Representations independent of any estimate for consciousness. This additional effort aims to differentiate between potential "consciousness" phenomena and inherent separations within LLM representational space. We conduct comprehensive experiments examining variations across LLM transformer layers and linguistic spans from stimuli. Our results suggest that sequences of contemporary Transformer-based LLM representations lack statistically significant indicators of observed "consciousness" phenomena but exhibit intriguing patterns under spatio-permutational analyses. The Appendix and code are available as Supplementary Materials at: https://doi.org/10.1016/j.nlp.2025.100163.
Unified Multi-Modal Interleaved Document Representation for Information Retrieval
Information Retrieval (IR) methods aim to identify relevant documents in response to a given query, which have gained remarkable attention due to their successful application in various natural language tasks. However, existing approaches typically consider only the textual information within the documents, which overlooks the fact that documents can contain multiple modalities, including texts, images, and tables. Further, they often segment each long document into multiple discrete passages for embedding, preventing them from capturing the overall document context and interactions between paragraphs. We argue that these two limitations lead to suboptimal document representations for retrieval. In this work, to address them, we aim to produce more comprehensive and nuanced document representations by holistically embedding documents interleaved with different modalities. Specifically, we achieve this by leveraging the capability of recent vision-language models that enable the processing and integration of text, images, and tables into a unified format and representation. Moreover, to mitigate the information loss from segmenting documents into passages, instead of representing and retrieving passages individually, we further merge the representations of segmented passages into one single document representation, while we additionally introduce a reranking strategy to decouple and identify the relevant passage within the document if necessary. Then, through extensive experiments on diverse information retrieval scenarios considering both the textual and multimodal queries, we show that our approach substantially outperforms relevant baselines, thanks to the consideration of the multimodal information interleaved within the documents in a unified way.
Data, Data Everywhere: A Guide for Pretraining Dataset Construction
The impressive capabilities of recent language models can be largely attributed to the multi-trillion token pretraining datasets that they are trained on. However, model developers fail to disclose their construction methodology which has lead to a lack of open information on how to develop effective pretraining sets. To address this issue, we perform the first systematic study across the entire pipeline of pretraining set construction. First, we run ablations on existing techniques for pretraining set development to identify which methods translate to the largest gains in model accuracy on downstream evaluations. Then, we categorize the most widely used data source, web crawl snapshots, across the attributes of toxicity, quality, type of speech, and domain. Finally, we show how such attribute information can be used to further refine and improve the quality of a pretraining set. These findings constitute an actionable set of steps that practitioners can use to develop high quality pretraining sets.
Integrating Knowledge Graph embedding and pretrained Language Models in Hypercomplex Spaces
Knowledge Graphs, such as Wikidata, comprise structural and textual knowledge in order to represent knowledge. For each of the two modalities dedicated approaches for graph embedding and language models learn patterns that allow for predicting novel structural knowledge. Few approaches have integrated learning and inference with both modalities and these existing ones could only partially exploit the interaction of structural and textual knowledge. In our approach, we build on existing strong representations of single modalities and we use hypercomplex algebra to represent both, (i), single-modality embedding as well as, (ii), the interaction between different modalities and their complementary means of knowledge representation. More specifically, we suggest Dihedron and Quaternion representations of 4D hypercomplex numbers to integrate four modalities namely structural knowledge graph embedding, word-level representations (e.g.\ Word2vec, Fasttext), sentence-level representations (Sentence transformer), and document-level representations (sentence transformer, Doc2vec). Our unified vector representation scores the plausibility of labelled edges via Hamilton and Dihedron products, thus modeling pairwise interactions between different modalities. Extensive experimental evaluation on standard benchmark datasets shows the superiority of our two new models using abundant textual information besides sparse structural knowledge to enhance performance in link prediction tasks.
Knowledge Graph Embedding by Normalizing Flows
A key to knowledge graph embedding (KGE) is to choose a proper representation space, e.g., point-wise Euclidean space and complex vector space. In this paper, we propose a unified perspective of embedding and introduce uncertainty into KGE from the view of group theory. Our model can incorporate existing models (i.e., generality), ensure the computation is tractable (i.e., efficiency) and enjoy the expressive power of complex random variables (i.e., expressiveness). The core idea is that we embed entities/relations as elements of a symmetric group, i.e., permutations of a set. Permutations of different sets can reflect different properties of embedding. And the group operation of symmetric groups is easy to compute. In specific, we show that the embedding of many existing models, point vectors, can be seen as elements of a symmetric group. To reflect uncertainty, we first embed entities/relations as permutations of a set of random variables. A permutation can transform a simple random variable into a complex random variable for greater expressiveness, called a normalizing flow. We then define scoring functions by measuring the similarity of two normalizing flows, namely NFE. We construct several instantiating models and prove that they are able to learn logical rules. Experimental results demonstrate the effectiveness of introducing uncertainty and our model. The code is available at https://github.com/changyi7231/NFE.
