Daily Papers

We algorithmically determine the regions and facets of all dimensions of the canonical polyhedral complex, the universal object into which a ReLU network decomposes its input space. We show that the locations of the vertices of the canonical polyhedral complex along with their signs with respect to layer maps determine the full facet structure across all dimensions. We present an algorithm which calculates this full combinatorial structure, making use of our theorems that the dual complex to the canonical polyhedral complex is cubical and it possesses a multiplication compatible with its facet structure. The resulting algorithm is numerically stable, polynomial time in the number of intermediate neurons, and obtains accurate information across all dimensions. This permits us to obtain, for example, the true topology of the decision boundaries of networks with low-dimensional inputs. We run empirics on such networks at initialization, finding that width alone does not increase observed topology, but width in the presence of depth does. Source code for our algorithms is accessible online at https://github.com/mmasden/canonicalpoly.

Computational materials discovery is limited by the high cost of first-principles calculations. Machine learning (ML) potentials that predict energies from crystal structures are promising, but existing methods face computational bottlenecks. Steerable graph neural networks (GNNs) encode geometry with spherical harmonics, respecting atomic symmetries -- permutation, rotation, and translation -- for physically realistic predictions. Yet maintaining equivariance is difficult: activation functions must be modified, and each layer must handle multiple data types for different harmonic orders. We present Facet, a GNN architecture for efficient ML potentials, developed through systematic analysis of steerable GNNs. Our innovations include replacing expensive multi-layer perceptrons (MLPs) for interatomic distances with splines, which match performance while cutting computational and memory demands. We also introduce a general-purpose equivariant layer that mixes node information via spherical grid projection followed by standard MLPs -- faster than tensor products and more expressive than linear or gate layers. On the MPTrj dataset, Facet matches leading models with far fewer parameters and under 10% of their training compute. On a crystal relaxation task, it runs twice as fast as MACE models. We further show SevenNet-0's parameters can be reduced by over 25% with no accuracy loss. These techniques enable more than 10x faster training of large-scale foundation models for ML potentials, potentially reshaping computational materials discovery.

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

Comprehensive modeling of the surrounding 3D world is key to the success of autonomous driving. However, existing perception tasks like object detection, road structure segmentation, depth & elevation estimation, and open-set object localization each only focus on a small facet of the holistic 3D scene understanding task. This divide-and-conquer strategy simplifies the algorithm development procedure at the cost of losing an end-to-end unified solution to the problem. In this work, we address this limitation by studying camera-based 3D panoptic segmentation, aiming to achieve a unified occupancy representation for camera-only 3D scene understanding. To achieve this, we introduce a novel method called PanoOcc, which utilizes voxel queries to aggregate spatiotemporal information from multi-frame and multi-view images in a coarse-to-fine scheme, integrating feature learning and scene representation into a unified occupancy representation. We have conducted extensive ablation studies to verify the effectiveness and efficiency of the proposed method. Our approach achieves new state-of-the-art results for camera-based semantic segmentation and panoptic segmentation on the nuScenes dataset. Furthermore, our method can be easily extended to dense occupancy prediction and has shown promising performance on the Occ3D benchmark. The code will be released at https://github.com/Robertwyq/PanoOcc.

Single-view 3D face reconstruction is a fundamental Computer Vision problem of extraordinary difficulty. Current systems often assume the input is unobstructed faces which makes their method not suitable for in-the-wild conditions. We present a method for performing a 3D face that removes eyeglasses from a single image. Existing facial reconstruction methods fail to remove eyeglasses automatically for generating a photo-realistic 3D face "in-the-wild".The innovation of our method lies in a process for identifying the eyeglasses area robustly and remove it intelligently. In this work, we estimate the 2D face structure of the reasonable position of the eyeglasses area, which is used for the construction of 3D texture. An excellent anti-eyeglasses face reconstruction method should ensure the authenticity of the output, including the topological structure between the eyes, nose, and mouth. We achieve this via a deep learning architecture that performs direct regression of a 3DMM representation of the 3D facial geometry from a single 2D image. We also demonstrate how the related face parsing task can be incorporated into the proposed framework and help improve reconstruction quality. We conduct extensive experiments on existing 3D face reconstruction tasks as concrete examples to demonstrate the method's superior regulation ability over existing methods often break down.

Blind face restoration (BFR) from severely degraded face images in the wild is a very challenging problem. Due to the high illness of the problem and the complex unknown degradation, directly training a deep neural network (DNN) usually cannot lead to acceptable results. Existing generative adversarial network (GAN) based methods can produce better results but tend to generate over-smoothed restorations. In this work, we propose a new method by first learning a GAN for high-quality face image generation and embedding it into a U-shaped DNN as a prior decoder, then fine-tuning the GAN prior embedded DNN with a set of synthesized low-quality face images. The GAN blocks are designed to ensure that the latent code and noise input to the GAN can be respectively generated from the deep and shallow features of the DNN, controlling the global face structure, local face details and background of the reconstructed image. The proposed GAN prior embedded network (GPEN) is easy-to-implement, and it can generate visually photo-realistic results. Our experiments demonstrated that the proposed GPEN achieves significantly superior results to state-of-the-art BFR methods both quantitatively and qualitatively, especially for the restoration of severely degraded face images in the wild. The source code and models can be found at https://github.com/yangxy/GPEN.

Top-performing landmark estimation algorithms are based on exploiting the excellent ability of large convolutional neural networks (CNNs) to represent local appearance. However, it is well known that they can only learn weak spatial relationships. To address this problem, we propose a model based on the combination of a CNN with a cascade of Graph Attention Network regressors. To this end, we introduce an encoding that jointly represents the appearance and location of facial landmarks and an attention mechanism to weigh the information according to its reliability. This is combined with a multi-task approach to initialize the location of graph nodes and a coarse-to-fine landmark description scheme. Our experiments confirm that the proposed model learns a global representation of the structure of the face, achieving top performance in popular benchmarks on head pose and landmark estimation. The improvement provided by our model is most significant in situations involving large changes in the local appearance of landmarks.

Talking head video generation aims to produce a synthetic human face video that contains the identity and pose information respectively from a given source image and a driving video.Existing works for this task heavily rely on 2D representations (e.g. appearance and motion) learned from the input images. However, dense 3D facial geometry (e.g. pixel-wise depth) is extremely important for this task as it is particularly beneficial for us to essentially generate accurate 3D face structures and distinguish noisy information from the possibly cluttered background. Nevertheless, dense 3D geometry annotations are prohibitively costly for videos and are typically not available for this video generation task. In this paper, we first introduce a self-supervised geometry learning method to automatically recover the dense 3D geometry (i.e.depth) from the face videos without the requirement of any expensive 3D annotation data. Based on the learned dense depth maps, we further propose to leverage them to estimate sparse facial keypoints that capture the critical movement of the human head. In a more dense way, the depth is also utilized to learn 3D-aware cross-modal (i.e. appearance and depth) attention to guide the generation of motion fields for warping source image representations. All these contributions compose a novel depth-aware generative adversarial network (DaGAN) for talking head generation. Extensive experiments conducted demonstrate that our proposed method can generate highly realistic faces, and achieve significant results on the unseen human faces.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

The human visual system is well-tuned to detect faces of all shapes and sizes. While this brings obvious survival advantages, such as a better chance of spotting unknown predators in the bush, it also leads to spurious face detections. ``Face pareidolia'' describes the perception of face-like structure among otherwise random stimuli: seeing faces in coffee stains or clouds in the sky. In this paper, we study face pareidolia from a computer vision perspective. We present an image dataset of ``Faces in Things'', consisting of five thousand web images with human-annotated pareidolic faces. Using this dataset, we examine the extent to which a state-of-the-art human face detector exhibits pareidolia, and find a significant behavioral gap between humans and machines. We find that the evolutionary need for humans to detect animal faces, as well as human faces, may explain some of this gap. Finally, we propose a simple statistical model of pareidolia in images. Through studies on human subjects and our pareidolic face detectors we confirm a key prediction of our model regarding what image conditions are most likely to induce pareidolia. Dataset and Website: https://aka.ms/faces-in-things

No experimental test precludes the possibility that the dark matter experiences forces beyond general relativity -- in fact, a variety of cosmic microwave background observations suggest greater late-time structure than predicted in the standard Lambda cold dark matter model. We show that minimal models of scalar-mediated forces between dark matter particles do not enhance the growth of unbiased tracers of structure: weak lensing observables depend on the total density perturbation, for which the enhanced growth of the density contrast in the matter era is cancelled by the more rapid dilution of the background dark matter density. Moreover, the same background-level effects imply that scenarios compatible with CMB temperature and polarization anisotropies in fact suppress structure growth, as fixing the distance to last scattering requires a substantially increased density of dark energy. Though massive mediators undo these effects upon oscillating, they suppress structure even further because their gravitational impact as nonclustering subcomponents of matter outweighs the enhanced clustering strength of dark matter. We support these findings with analytic insight that clarifies the physical impact of dark forces and explains how primary CMB measurements calibrate the model's predictions for low-redshift observables. We discuss implications for neutrino mass limits and other cosmological anomalies, and we also consider how nonminimal extensions of the model might be engineered to enhance structure.

We introduce FinCriticalED (Financial Critical Error Detection), a visual benchmark for evaluating OCR and vision language models on financial documents at the fact level. Financial documents contain visually dense and table heavy layouts where numerical and temporal information is tightly coupled with structure. In high stakes settings, small OCR mistakes such as sign inversion or shifted dates can lead to materially different interpretations, while traditional OCR metrics like ROUGE and edit distance capture only surface level text similarity. \ficriticaled provides 500 image-HTML pairs with expert annotated financial facts covering over seven hundred numerical and temporal facts. It introduces three key contributions. First, it establishes the first fact level evaluation benchmark for financial document understanding, shifting evaluation from lexical overlap to domain critical factual correctness. Second, all annotations are created and verified by financial experts with strict quality control over signs, magnitudes, and temporal expressions. Third, we develop an LLM-as-Judge evaluation pipeline that performs structured fact extraction and contextual verification for visually complex financial documents. We benchmark OCR systems, open source vision language models, and proprietary models on FinCriticalED. Results show that although the strongest proprietary models achieve the highest factual accuracy, substantial errors remain in visually intricate numerical and temporal contexts. Through quantitative evaluation and expert case studies, FinCriticalED provides a rigorous foundation for advancing visual factual precision in financial and other precision critical domains.

Graphs provide a natural representation of relational structure that arises across diverse domains. Despite this ubiquity, graph structure is typically learned in a modality- and task-isolated manner, where graph representations are constructed within individual task contexts and discarded thereafter. As a result, structural regularities across modalities and tasks are repeatedly reconstructed rather than accumulated at the level of intermediate graph representations. This motivates a representation-learning question: how should graph structure be organized so that it can persist and accumulate across heterogeneous modalities and tasks? We adopt a representation-centric perspective in which graph structure is treated as a structural substrate that persists across learning contexts. To instantiate this perspective, we propose G-Substrate, a graph substrate framework that organizes learning around shared graph structures. G-Substrate comprises two complementary mechanisms: a unified structural schema that ensures compatibility among graph representations across heterogeneous modalities and tasks, and an interleaved role-based training strategy that exposes the same graph structure to multiple functional roles during learning. Experiments across multiple domains, modalities, and tasks show that G-Substrate outperforms task-isolated and naive multi-task learning methods. The codebase, model, and datasets are available at https://github.com/zmli6/G-Substrate.

The field of face recognition (FR) has undergone significant advancements with the rise of deep learning. Recently, the success of unsupervised learning and graph neural networks has demonstrated the effectiveness of data structure information. Considering that the FR task can leverage large-scale training data, which intrinsically contains significant structure information, we aim to investigate how to encode such critical structure information into the latent space. As revealed from our observations, directly aligning the structure information between the input and latent spaces inevitably suffers from an overfitting problem, leading to a structure collapse phenomenon in the latent space. To address this problem, we propose TopoFR, a novel FR model that leverages a topological structure alignment strategy called PTSA and a hard sample mining strategy named SDE. Concretely, PTSA uses persistent homology to align the topological structures of the input and latent spaces, effectively preserving the structure information and improving the generalization performance of FR model. To mitigate the impact of hard samples on the latent space structure, SDE accurately identifies hard samples by automatically computing structure damage score (SDS) for each sample, and directs the model to prioritize optimizing these samples. Experimental results on popular face benchmarks demonstrate the superiority of our TopoFR over the state-of-the-art methods. Code and models are available at: https://github.com/modelscope/facechain/tree/main/face_module/TopoFR.

Scientific archives now contain hundreds of petabytes of data across genomics, ecology, climate, and molecular biology that could reveal undiscovered patterns if systematically analyzed at scale. Large-scale, weakly-supervised datasets in language and vision have driven the development of foundation models whose internal representations encode structure (patterns, co-occurrences and statistical regularities) beyond their training objectives. Most existing methods extract structure only for pre-specified targets; they excel at confirmation but do not support open-ended discovery of unknown patterns. We ask whether sparse autoencoders (SAEs) can enable open-ended feature discovery from foundation model representations. We evaluate this question in controlled rediscovery studies, where the learned SAE features are tested for alignment with semantic concepts on a standard segmentation benchmark and compared against strong label-free alternatives on concept-alignment metrics. Applied to ecological imagery, the same procedure surfaces fine-grained anatomical structure without access to segmentation or part labels, providing a scientific case study with ground-truth validation. While our experiments focus on vision with an ecology case study, the method is domain-agnostic and applicable to models in other sciences (e.g., proteins, genomics, weather). Our results indicate that sparse decomposition provides a practical instrument for exploring what scientific foundation models have learned, an important prerequisite for moving from confirmation to genuine discovery.

Computer vision models have known performance disparities across attributes such as gender and skin tone. This means during tasks such as classification and detection, model performance differs for certain classes based on the demographics of the people in the image. These disparities have been shown to exist, but until now there has not been a unified approach to measure these differences for common use-cases of computer vision models. We present a new benchmark named FACET (FAirness in Computer Vision EvaluaTion), a large, publicly available evaluation set of 32k images for some of the most common vision tasks - image classification, object detection and segmentation. For every image in FACET, we hired expert reviewers to manually annotate person-related attributes such as perceived skin tone and hair type, manually draw bounding boxes and label fine-grained person-related classes such as disk jockey or guitarist. In addition, we use FACET to benchmark state-of-the-art vision models and present a deeper understanding of potential performance disparities and challenges across sensitive demographic attributes. With the exhaustive annotations collected, we probe models using single demographics attributes as well as multiple attributes using an intersectional approach (e.g. hair color and perceived skin tone). Our results show that classification, detection, segmentation, and visual grounding models exhibit performance disparities across demographic attributes and intersections of attributes. These harms suggest that not all people represented in datasets receive fair and equitable treatment in these vision tasks. We hope current and future results using our benchmark will contribute to fairer, more robust vision models. FACET is available publicly at https://facet.metademolab.com/

Think about how human handles complex reading tasks: marking key points, inferring their relationships, and structuring information to guide understanding and responses. Likewise, can a large language model benefit from text structure to enhance text-processing performance? To explore it, in this work, we first introduce Structure of Thought (SoT), a prompting technique that explicitly guides models to construct intermediate text structures, consistently boosting performance across eight tasks and three model families. Building upon this insight, we present T2S-Bench, the first benchmark designed to evaluate and improve text-to-structure capabilities of models. T2S-Bench includes 1.8K samples across 6 scientific domains and 32 structural types, rigorously constructed to ensure accuracy, fairness, and quality. Evaluation on 45 mainstream models reveals substantial improvement potential: the average accuracy on the multi-hop reasoning task is only 52.1%, and even the most advanced model achieves 58.1% node accuracy in end-to-end extraction. Furthermore, on Qwen2.5-7B-Instruct, SoT alone yields an average +5.7% improvement across eight diverse text-processing tasks, and fine-tuning on T2S-Bench further increases this gain to +8.6%. These results highlight the value of explicit text structuring and the complementary contributions of SoT and T2S-Bench. Dataset and eval code have been released at https://t2s-bench.github.io/T2S-Bench-Page/.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

Large language models exhibit sophisticated capabilities, yet understanding how they work internally remains a central challenge. A fundamental obstacle is that training selects for behavior, not circuitry, so many weight configurations can implement the same function. Which internal structures reflect the computation, and which are accidents of a particular training run? This work extracts algorithmic cores: compact subspaces necessary and sufficient for task performance. Independently trained transformers learn different weights but converge to the same cores. Markov-chain transformers embed 3D cores in nearly orthogonal subspaces yet recover identical transition spectra. Modular-addition transformers discover compact cyclic operators at grokking that later inflate, yielding a predictive model of the memorization-to-generalization transition. GPT-2 language models govern subject-verb agreement through a single axis that, when flipped, inverts grammatical number throughout generation across scales. These results reveal low-dimensional invariants that persist across training runs and scales, suggesting that transformer computations are organized around compact, shared algorithmic structures. Mechanistic interpretability could benefit from targeting such invariants -- the computational essence -- rather than implementation-specific details.

While the successes of transformers across many domains are indisputable, accurate understanding of the learning mechanics is still largely lacking. Their capabilities have been probed on benchmarks which include a variety of structured and reasoning tasks -- but mathematical understanding is lagging substantially behind. Recent lines of work have begun studying representational aspects of this question: that is, the size/depth/complexity of attention-based networks to perform certain tasks. However, there is no guarantee the learning dynamics will converge to the constructions proposed. In our paper, we provide fine-grained mechanistic understanding of how transformers learn "semantic structure", understood as capturing co-occurrence structure of words. Precisely, we show, through a combination of experiments on synthetic data modeled by Latent Dirichlet Allocation (LDA), Wikipedia data, and mathematical analysis that the embedding layer and the self-attention layer encode the topical structure. In the former case, this manifests as higher average inner product of embeddings between same-topic words. In the latter, it manifests as higher average pairwise attention between same-topic words. The mathematical results involve several assumptions to make the analysis tractable, which we verify on data, and might be of independent interest as well.

Lenses are a well-established structure for modelling bidirectional transformations, such as the interactions between a database and a view of it. Lenses may be symmetric or asymmetric, and may be composed, forming the morphisms of a monoidal category. More recently, the notion of a learner has been proposed: these provide a compositional way of modelling supervised learning algorithms, and again form the morphisms of a monoidal category. In this paper, we show that the two concepts are tightly linked. We show both that there is a faithful, identity-on-objects symmetric monoidal functor embedding a category of asymmetric lenses into the category of learners, and furthermore there is such a functor embedding the category of learners into a category of symmetric lenses.

Fact-checking tabular data is essential for ensuring the accuracy of structured information. However, existing methods often rely on black-box models with opaque reasoning. We introduce RePanda, a structured fact verification approach that translates claims into executable pandas queries, enabling interpretable and verifiable reasoning. To train RePanda, we construct PanTabFact, a structured dataset derived from the TabFact train set, where claims are paired with executable queries generated using DeepSeek-Chat and refined through automated error correction. Fine-tuning DeepSeek-coder-7B-instruct-v1.5 on PanTabFact, RePanda achieves 84.09% accuracy on the TabFact test set. To evaluate Out-of-Distribution (OOD) generalization, we interpret question-answer pairs from WikiTableQuestions as factual claims and refer to this dataset as WikiFact. Without additional fine-tuning, RePanda achieves 84.72% accuracy on WikiFact, significantly outperforming all other baselines and demonstrating strong OOD robustness. Notably, these results closely match the zero-shot performance of DeepSeek-Chat (671B), indicating that our fine-tuning approach effectively distills structured reasoning from a much larger model into a compact, locally executable 7B model. Beyond fact verification, RePanda extends to tabular question answering by generating executable queries that retrieve precise answers. To support this, we introduce PanWiki, a dataset mapping WikiTableQuestions to pandas queries. Fine-tuning on PanWiki, RePanda achieves 75.1% accuracy in direct answer retrieval. These results highlight the effectiveness of structured execution-based reasoning for tabular verification and question answering. We have publicly released the dataset on Hugging Face at datasets/AtoosaChegini/PanTabFact.

Mathematical researchers, especially those in early-career positions, face critical decisions about topic specialization with limited information about the collaborative environments of different research areas. The aim of this paper is to study how the popularity of a research topic is associated with the structure of that topic's collaboration network, as observed by a suite of measures capturing organizational structure at several scales. We apply these measures to 1,938 algorithmically discovered topics across 121,391 papers sourced from arXiv metadata during the period 2020--2025. Our analysis, which controls for the confounding effects of network size, reveals a structural dichotomy--we find that popular topics organize into modular "schools of thought," while niche topics maintain hierarchical core-periphery structures centered around established experts. This divide is not an artifact of scale, but represents a size-independent structural pattern correlated with popularity. We also document a "constraint reversal": after controlling for size, researchers in popular fields face greater structural constraints on collaboration opportunities, contrary to conventional expectations. Our findings suggest that topic selection is an implicit choice between two fundamentally different collaborative environments, each with distinct implications for a researcher's career. To make these structural patterns transparent to the research community, we developed the Math Research Compass (https://mathresearchcompass.com), an interactive platform providing data on topic popularity and collaboration patterns across mathematical topics.

This paper introduces an approach to question answering over knowledge bases like Wikipedia and Wikidata by performing "question-to-question" matching and retrieval from a dense vector embedding store. Instead of embedding document content, we generate a comprehensive set of questions for each logical content unit using an instruction-tuned LLM. These questions are vector-embedded and stored, mapping to the corresponding content. Vector embedding of user queries are then matched against this question vector store. The highest similarity score leads to direct retrieval of the associated article content, eliminating the need for answer generation. Our method achieves high cosine similarity ( > 0.9 ) for relevant question pairs, enabling highly precise retrieval. This approach offers several advantages including computational efficiency, rapid response times, and increased scalability. We demonstrate its effectiveness on Wikipedia and Wikidata, including multimedia content through structured fact retrieval from Wikidata, opening up new pathways for multimodal question answering.

Claims made by individuals or entities are oftentimes nuanced and cannot be clearly labeled as entirely "true" or "false" -- as is frequently the case with scientific and political claims. However, a claim (e.g., "vaccine A is better than vaccine B") can be dissected into its integral aspects and sub-aspects (e.g., efficacy, safety, distribution), which are individually easier to validate. This enables a more comprehensive, structured response that provides a well-rounded perspective on a given problem while also allowing the reader to prioritize specific angles of interest within the claim (e.g., safety towards children). Thus, we propose ClaimSpect, a retrieval-augmented generation-based framework for automatically constructing a hierarchy of aspects typically considered when addressing a claim and enriching them with corpus-specific perspectives. This structure hierarchically partitions an input corpus to retrieve relevant segments, which assist in discovering new sub-aspects. Moreover, these segments enable the discovery of varying perspectives towards an aspect of the claim (e.g., support, neutral, or oppose) and their respective prevalence (e.g., "how many biomedical papers believe vaccine A is more transportable than B?"). We apply ClaimSpect to a wide variety of real-world scientific and political claims featured in our constructed dataset, showcasing its robustness and accuracy in deconstructing a nuanced claim and representing perspectives within a corpus. Through real-world case studies and human evaluation, we validate its effectiveness over multiple baselines.

Retrieval-Augmented Generation (RAG) offers a cost-effective approach to injecting real-time knowledge into large language models (LLMs). Nevertheless, constructing and validating high-quality knowledge repositories require considerable effort. We propose a pre-retrieval framework named Pseudo-Graph Retrieval-Augmented Generation (PG-RAG), which conceptualizes LLMs as students by providing them with abundant raw reading materials and encouraging them to engage in autonomous reading to record factual information in their own words. The resulting concise, well-organized mental indices are interconnected through common topics or complementary facts to form a pseudo-graph database. During the retrieval phase, PG-RAG mimics the human behavior in flipping through notes, identifying fact paths and subsequently exploring the related contexts. Adhering to the principle of the path taken by many is the best, it integrates highly corroborated fact paths to provide a structured and refined sub-graph assisting LLMs. We validated PG-RAG on three specialized question-answering datasets. In single-document tasks, PG-RAG significantly outperformed the current best baseline, KGP-LLaMA, across all key evaluation metrics, with an average overall performance improvement of 11.6%. Specifically, its BLEU score increased by approximately 14.3%, and the QE-F1 metric improved by 23.7%. In multi-document scenarios, the average metrics of PG-RAG were at least 2.35% higher than the best baseline. Notably, the BLEU score and QE-F1 metric showed stable improvements of around 7.55% and 12.75%, respectively. Our code: https://github.com/IAAR-Shanghai/PGRAG.

Neurosymbolic (NeSy) frameworks combine neural representations and learning with symbolic representations and reasoning. Combining the reasoning capacities, explainability, and interpretability of symbolic processing with the flexibility and power of neural computing allows us to solve complex problems with more reliability while being data-efficient. However, this recently growing topic poses a challenge to developers with its learning curve, lack of user-friendly tools, libraries, and unifying frameworks. In this paper, we characterize the technical facets of existing NeSy frameworks, such as the symbolic representation language, integration with neural models, and the underlying algorithms. A majority of the NeSy research focuses on algorithms instead of providing generic frameworks for declarative problem specification to leverage problem solving. To highlight the key aspects of Neurosymbolic modeling, we showcase three generic NeSy frameworks - DeepProbLog, Scallop, and DomiKnowS. We identify the challenges within each facet that lay the foundation for identifying the expressivity of each framework in solving a variety of problems. Building on this foundation, we aim to spark transformative action and encourage the community to rethink this problem in novel ways.

Despite the power of Large Language Models (LLMs) like GPT-4, they still struggle with tasks that require generating complex, structured outputs. In this study, we assess the capability of Current LLMs in generating complex structured data and propose a structure-aware fine-tuning approach as a solution to improve this ability. To perform a comprehensive evaluation, we propose Struc-Bench, include five representative LLMs (i.e., GPT-NeoX 20B, GPT-3.5, GPT-4, and Vicuna) and evaluate them on our carefully constructed datasets spanning raw text, HTML, and LaTeX tables. Based on our analysis of current model performance, we identify specific common formatting errors and areas of potential improvement. To address complex formatting requirements, we utilize FormatCoT (Chain-of-Thought) to generate format instructions from target outputs. Our experiments show that our structure-aware fine-tuning method, when applied to LLaMA-7B, significantly improves adherence to natural language constraints, outperforming other evaluated LLMs. Based on these results, we present an ability map of model capabilities from six dimensions (i.e., coverage, formatting, reasoning, comprehension, pragmatics, and hallucination). This map highlights the weaknesses of LLMs in handling complex structured outputs and suggests promising directions for future work. Our code and models can be found at https://github.com/gersteinlab/Struc-Bench.

Anatomical structure labels for chest radiographs are essential for medical image segmentation and a broad range of downstream diagnostic tasks. However, annotating anatomy directly on 2D chest radiographs is labor-intensive and intrinsically ambiguous, as 3D anatomical structures are projected onto a single 2D plane where boundaries may overlap, be occluded, or appear only partially visible. Consequently, existing anatomy-labeled chest radiograph datasets remain limited in scale, anatomy coverage, and label reliability. To address these limitations, we introduce RadGenome-Anatomy, the largest anatomy-labeled chest radiograph dataset, containing over 10 million segmentation masks across 210 anatomical structures in 25,692 studies. It is constructed by projecting large-scale 3D anatomical masks from CT volumes into 2D radiographic space through canonical radiographic geometry. This shifts annotation from directly tracing uncertain 2D boundaries to defining anatomy in volumetric space, where structures that overlap or become partially invisible in radiographs remain spatially separable. As a result, each 2D mask represents the physically grounded projected footprint of a volumetrically defined structure. The scale and broad anatomical coverage of RadGenome-Anatomy, including structures that are overlapping, partially visible, or difficult to delineate directly, enable research on geometric measurements as explicit evidence for chest radiograph interpretation. We demonstrate this by training XAnatomy to predict structure-specific masks and derive clinically relevant measurements, achieving diagnostic accuracies of 96.4%, 95.6%, and 89.2% for cardiomegaly, kyphosis, and scoliosis, respectively.

Subject classification schemes are foundational to the organization, evaluation, and navigation of scientific knowledge. While expert-curated systems like Scopus provide widely used taxonomies, they often suffer from coarse granularity, subjectivity, and limited adaptability to emerging interdisciplinary fields. Data-driven alternatives based on citation networks show promise but lack rigorous, external validation against the semantic content of scientific literature. Here, we propose a novel quantitative framework that leverages classification tasks to evaluate the effectiveness of journal classification schemes. Using over 23 million paper abstracts, we demonstrate that labels derived from k-means clustering on Periodical2Vec (P2V)--a periodical embedding learned from paper-level citations--yield significantly higher classification performance than both Scopus and other data-driven baselines (e.g., citation, co-citation, and Node2Vec variants). By comparing journal partitions across classification schemes, two structural patterns emerge on the map of science: (1) the reorganization of disciplinary boundaries--splitting overly broad categories (e.g., "Medicine" into "Oncology", "Cardiology", and other specialties) while merging artificially fragmented ones (e.g., "Chemistry" and "Chemical Engineering"); and (2) the identification of coherent interdisciplinary clusters--such as "Biomedical Engineering", "Medical Ethics", and "Information Management"--that are dispersed across multiple categories but unified in citation space. These findings underscore that citation-derived periodical embeddings not only outperform traditional taxonomies in predictive validity but also offer a dynamic, fine-grained map of science that better reflects both the specialization and interdisciplinarity inherent in contemporary research.

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.

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.

Universally modeling all typical information extraction tasks (UIE) with one generative language model (GLM) has revealed great potential by the latest study, where various IE predictions are unified into a linearized hierarchical expression under a GLM. Syntactic structure information, a type of effective feature which has been extensively utilized in IE community, should also be beneficial to UIE. In this work, we propose a novel structure-aware GLM, fully unleashing the power of syntactic knowledge for UIE. A heterogeneous structure inductor is explored to unsupervisedly induce rich heterogeneous structural representations by post-training an existing GLM. In particular, a structural broadcaster is devised to compact various latent trees into explicit high-order forests, helping to guide a better generation during decoding. We finally introduce a task-oriented structure fine-tuning mechanism, further adjusting the learned structures to most coincide with the end-task's need. Over 12 IE benchmarks across 7 tasks our system shows significant improvements over the baseline UIE system. Further in-depth analyses show that our GLM learns rich task-adaptive structural bias that greatly resolves the UIE crux, the long-range dependence issue and boundary identifying. Source codes are open at https://github.com/ChocoWu/LasUIE.

Humans can develop internal world models that encode common sense knowledge, telling them how the world works and predicting the consequences of their actions. This concept has emerged as a promising direction for establishing general-purpose machine-learning models in recent preliminary works, e.g., for visual representation learning. In this paper, we present CheXWorld, the first effort towards a self-supervised world model for radiographic images. Specifically, our work develops a unified framework that simultaneously models three aspects of medical knowledge essential for qualified radiologists, including 1) local anatomical structures describing the fine-grained characteristics of local tissues (e.g., architectures, shapes, and textures); 2) global anatomical layouts describing the global organization of the human body (e.g., layouts of organs and skeletons); and 3) domain variations that encourage CheXWorld to model the transitions across different appearance domains of radiographs (e.g., varying clarity, contrast, and exposure caused by collecting radiographs from different hospitals, devices, or patients). Empirically, we design tailored qualitative and quantitative analyses, revealing that CheXWorld successfully captures these three dimensions of medical knowledge. Furthermore, transfer learning experiments across eight medical image classification and segmentation benchmarks showcase that CheXWorld significantly outperforms existing SSL methods and large-scale medical foundation models. Code & pre-trained models are available at https://github.com/LeapLabTHU/CheXWorld.

NVIDIA's CUTLASS library provides a robust and expressive set of methods for describing and manipulating multi-dimensional tensor data on the GPU. These methods are conceptually grounded in the abstract notion of a CuTe layout and a rich algebra of such layouts, including operations such as composition, logical product, and logical division. In this paper, we present a categorical framework for understanding this layout algebra by focusing on a naturally occurring class of tractable layouts. To this end, we define two categories Tuple and Nest whose morphisms give rise to layouts. We define a suite of operations on morphisms in these categories and prove their compatibility with the corresponding layout operations. Moreover, we give a complete characterization of the layouts which arise from our construction. Finally, we provide a Python implementation of our categorical constructions, along with tests that demonstrate alignment with CUTLASS behavior. This implementation can be found at our git repository https://github.com/ColfaxResearch/layout-categories.

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.

The presence of linear paths in parameter space between two different network solutions in certain cases, i.e., linear mode connectivity (LMC), has garnered interest from both theoretical and practical fronts. There has been significant research that either practically designs algorithms catered for connecting networks by adjusting for the permutation symmetries as well as some others that more theoretically construct paths through which networks can be connected. Yet, the core reasons for the occurrence of LMC, when in fact it does occur, in the highly non-convex loss landscapes of neural networks are far from clear. In this work, we take a step towards understanding it by providing a model of how the loss landscape needs to behave topographically for LMC (or the lack thereof) to manifest. Concretely, we present a `mountainside and ridge' perspective that helps to neatly tie together different geometric features that can be spotted in the loss landscape along the training runs. We also complement this perspective by providing a theoretical analysis of the barrier height, for which we provide empirical support, and which additionally extends as a faithful predictor of layer-wise LMC. We close with a toy example that provides further intuition on how barriers arise in the first place, all in all, showcasing the larger aim of the work -- to provide a working model of the landscape and its topography for the occurrence of LMC.

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

As there are now millions of publicly available neural networks, searching and analyzing large model repositories becomes increasingly important. Navigating so many models requires an atlas, but as most models are poorly documented charting such an atlas is challenging. To explore the hidden potential of model repositories, we chart a preliminary atlas representing the documented fraction of Hugging Face. It provides stunning visualizations of the model landscape and evolution. We demonstrate several applications of this atlas including predicting model attributes (e.g., accuracy), and analyzing trends in computer vision models. However, as the current atlas remains incomplete, we propose a method for charting undocumented regions. Specifically, we identify high-confidence structural priors based on dominant real-world model training practices. Leveraging these priors, our approach enables accurate mapping of previously undocumented areas of the atlas. We publicly release our datasets, code, and interactive atlas.

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.

Large language models (LLMs) have gained significant traction across a wide range of fields in recent years. There is also a growing expectation for them to display human-like personalities during interactions. To meet this expectation, numerous studies have proposed methods for modelling LLM personalities through psychometric evaluations. However, most existing models face two major limitations: they rely on the Big Five (OCEAN) framework, which only provides coarse personality dimensions, and they lack mechanisms for controlling trait intensity. In this paper, we address this gap by extending the Machine Personality Inventory (MPI), which originally used the Big Five model, to incorporate the 16 Personality Factor (16PF) model, allowing expressive control over sixteen distinct traits. We also developed a structured framework known as Specific Attribute Control (SAC) for evaluating and dynamically inducing trait intensity in LLMs. Our method introduces adjective-based semantic anchoring to guide trait intensity expression and leverages behavioural questions across five intensity factors: Frequency, Depth, Threshold, Effort, and Willingness. Through experimentation, we find that modelling intensity as a continuous spectrum yields substantially more consistent and controllable personality expression compared to binary trait toggling. Moreover, we observe that changes in target trait intensity systematically influence closely related traits in psychologically coherent directions, suggesting that LLMs internalize multi-dimensional personality structures rather than treating traits in isolation. Our work opens new pathways for controlled and nuanced human-machine interactions in domains such as healthcare, education, and interviewing processes, bringing us one step closer to truly human-like social machines.

We can better understand deep neural networks by identifying which features each of their neurons have learned to detect. To do so, researchers have created Deep Visualization techniques including activation maximization, which synthetically generates inputs (e.g. images) that maximally activate each neuron. A limitation of current techniques is that they assume each neuron detects only one type of feature, but we know that neurons can be multifaceted, in that they fire in response to many different types of features: for example, a grocery store class neuron must activate either for rows of produce or for a storefront. Previous activation maximization techniques constructed images without regard for the multiple different facets of a neuron, creating inappropriate mixes of colors, parts of objects, scales, orientations, etc. Here, we introduce an algorithm that explicitly uncovers the multiple facets of each neuron by producing a synthetic visualization of each of the types of images that activate a neuron. We also introduce regularization methods that produce state-of-the-art results in terms of the interpretability of images obtained by activation maximization. By separately synthesizing each type of image a neuron fires in response to, the visualizations have more appropriate colors and coherent global structure. Multifaceted feature visualization thus provides a clearer and more comprehensive description of the role of each neuron.

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared representation space using contrastive learning. However, systematic evaluations reveal significant performance degradation at structural boundaries where distinct topological patterns converge, with accuracy losses exceeding 20 percentage points. This issue arises from a key limitation: current methods assume all graph structures can be encoded within a single Euclidean space. In reality, tree structures require hyperbolic geometry to preserve hierarchical branching, while cyclic patterns depend on spherical geometry for closure properties. At structural boundaries, nodes experience conflicting geometric constraints that uniform encoding spaces cannot resolve. This raises a crucial challenge: Can alignment frameworks be designed to respect the intrinsic geometric diversity of graph structures? We introduce GraphShaper, a geometry-aware framework that enhances graph encoding through multi-geometric specialization. Our approach employs expert networks tailored to different geometric spaces, dynamically computing fusion weights to adaptively integrate geometric properties based on local structural characteristics. This adaptive fusion preserves structural integrity before alignment with text embeddings. Extensive experiments demonstrate that GraphShaper achieves 9.47\% accuracy improvements on citation networks and 7.63\% on social networks in zero-shot settings.

Despite the widespread application of latent factor analysis, existing methods suffer from the following weaknesses: requiring the number of factors to be known, lack of theoretical guarantees for learning the model structure, and nonidentifiability of the parameters due to rotation invariance properties of the likelihood. We address these concerns by proposing a fast correlation thresholding (CT) algorithm that simultaneously learns the number of latent factors and a rotationally identifiable model structure. Our novel approach translates this structure learning problem into the search for so-called independent maximal cliques in a thresholded correlation graph that can be easily constructed from the observed data. Our clique analysis technique scales well up to thousands of variables, while competing methods are not applicable in a reasonable amount of running time. We establish a finite-sample error bound and high-dimensional consistency for the structure learning of our method. Through a series of simulation studies and a real data example, we show that the CT algorithm is an accurate method for learning the structure of factor analysis models and is robust to violations of its assumptions.

For humans, language production and comprehension is sensitive to the hierarchical structure of sentences. In natural language processing, past work has questioned how effectively neural sequence models like transformers capture this hierarchical structure when generalizing to structurally novel inputs. We show that transformer language models can learn to generalize hierarchically after training for extremely long periods -- far beyond the point when in-domain accuracy has saturated. We call this phenomenon structural grokking. On multiple datasets, structural grokking exhibits inverted U-shaped scaling in model depth: intermediate-depth models generalize better than both very deep and very shallow transformers. When analyzing the relationship between model-internal properties and grokking, we find that optimal depth for grokking can be identified using the tree-structuredness metric of murty2023projections. Overall, our work provides strong evidence that, with extended training, vanilla transformers discover and use hierarchical structure.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

Topic modeling refers to the task of discovering the underlying thematic structure in a text corpus, where the output is commonly presented as a report of the top terms appearing in each topic. Despite the diversity of topic modeling algorithms that have been proposed, a common challenge in successfully applying these techniques is the selection of an appropriate number of topics for a given corpus. Choosing too few topics will produce results that are overly broad, while choosing too many will result in the "over-clustering" of a corpus into many small, highly-similar topics. In this paper, we propose a term-centric stability analysis strategy to address this issue, the idea being that a model with an appropriate number of topics will be more robust to perturbations in the data. Using a topic modeling approach based on matrix factorization, evaluations performed on a range of corpora show that this strategy can successfully guide the model selection process.

While learning models are typically studied for inputs in the form of a fixed dimensional feature vector, real world data is rarely found in this form. In order to meet the basic requirement of traditional learning models, structural data generally have to be converted into fix-length vectors in a handcrafted manner, which is tedious and may even incur information loss. A common form of structured data is what we term "semantic tree-structures", corresponding to data where rich semantic information is encoded in a compositional manner, such as those expressed in JavaScript Object Notation (JSON) and eXtensible Markup Language (XML). For tree-structured data, several learning models have been studied to allow for working directly on raw tree-structure data, However such learning models are limited to either a specific tree-topology or a specific tree-structured data format, e.g., synthetic parse trees. In this paper, we propose a novel framework for end-to-end learning on generic semantic tree-structured data of arbitrary topology and heterogeneous data types, such as data expressed in JSON, XML and so on. Motivated by the works in recursive and recurrent neural networks, we develop exemplar neural implementations of our framework for the JSON format. We evaluate our approach on several UCI benchmark datasets, including ablation and data-efficiency studies, and on a toy reinforcement learning task. Experimental results suggest that our framework yields comparable performance to use of standard models with dedicated feature-vectors in general, and even exceeds baseline performance in cases where compositional nature of the data is particularly important. The source code for a JSON-based implementation of our framework along with experiments can be downloaded at https://github.com/EndingCredits/json2vec.

Sparse autoencoders (SAEs) are widely used to extract interpretable features from neural network representations, often under the implicit assumption that concepts correspond to independent linear directions. However, a growing body of evidence suggests that many concepts are instead organized along low-dimensional manifolds encoding continuous geometric relationships. This raises three basic questions: what does it mean for an SAE to capture a manifold, when do existing SAE architectures do so, and how? We develop a theoretical framework that answers these questions and show that SAEs can capture manifolds in two fundamentally different ways: globally, by allocating a compact group of atoms whose linear span contains the entire manifold, or locally, by distributing it across features that each selectively tile a restricted region of the underlying geometry. Empirically, we find that SAEs suboptimally recover continuous structures, mixing the global subspace and local tiling solutions in a fragmented regime we call dilution. This explains why manifold structure is rarely visible at the level of individual concepts and motivates post-hoc unsupervised discovery methods that search for coherent groups of atoms rather than isolated directions. More broadly, our results suggest that future representation learning methods should treat geometric objects, not just individual directions, as the basic units of interpretability.

In clinical radiology reports, doctors capture important information about the patient's health status. They convey their observations from raw medical imaging data about the inner structures of a patient. As such, formulating reports requires medical experts to possess wide-ranging knowledge about anatomical regions with their normal, healthy appearance as well as the ability to recognize abnormalities. This explicit grasp on both the patient's anatomy and their appearance is missing in current medical image-processing systems as annotations are especially difficult to gather. This renders the models to be narrow experts e.g. for identifying specific diseases. In this work, we recover this missing link by adding human anatomy into the mix and enable the association of content in medical reports to their occurrence in associated imagery (medical phrase grounding). To exploit anatomical structures in this scenario, we present a sophisticated automatic pipeline to gather and integrate human bodily structures from computed tomography datasets, which we incorporate in our PAXRay: A Projected dataset for the segmentation of Anatomical structures in X-Ray data. Our evaluation shows that methods that take advantage of anatomical information benefit heavily in visually grounding radiologists' findings, as our anatomical segmentations allow for up to absolute 50% better grounding results on the OpenI dataset as compared to commonly used region proposals. The PAXRay dataset is available at https://constantinseibold.github.io/paxray/.

Intrinsic dimension (ID) is an important tool in modern LLM analysis, informing studies of training dynamics, scaling behavior, and dataset structure, yet its textual determinants remain underexplored. We provide the first comprehensive study grounding ID in interpretable text properties through cross-encoder analysis, linguistic features, and sparse autoencoders (SAEs). In this work, we establish three key findings. First, ID is complementary to entropy-based metrics: after controlling for length, the two are uncorrelated, with ID capturing geometric complexity orthogonal to prediction quality. Second, ID exhibits robust genre stratification: scientific prose shows low ID (~8), encyclopedic content medium ID (~9), and creative/opinion writing high ID (~10.5) across all models tested. This reveals that contemporary LLMs find scientific text "representationally simple" while fiction requires additional degrees of freedom. Third, using SAEs, we identify causal features: scientific signals (formal tone, report templates, statistics) reduce ID; humanized signals (personalization, emotion, narrative) increase it. Steering experiments confirm these effects are causal. Thus, for contemporary models, scientific writing appears comparatively "easy", whereas fiction, opinion, and affect add representational degrees of freedom. Our multi-faceted analysis provides practical guidance for the proper use of ID and the sound interpretation of ID-based results.

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.

Does structure in representations imply structure in computation? We study how Llama-3.1-8B reasons over cyclic concepts (e.g., "what month is six months after August?"). Even though Llama-3.1-8B's representations for these concepts are circularly structured, we find that instead of directly computing modular addition in the period of the cyclic concept (e.g., 12 for months), the model re-uses a generic addition mechanism across tasks that operates independently of concept-specific geometry. First, it computes the sum of its two inputs using base-10 addition (six + August=14). Then, it maps this sum back to cyclic concept space (14->February). We show that Llama-3.1-8B uses task-agnostic Fourier features to compute these sums--in fact, these features have periods that respect standard base-10 addition, e.g., 2, 5, and 10, rather than the cyclic concept period (e.g., 12 for months). Furthermore, we identify a sparse set of 28 MLP neurons re-used across all tasks (approximately 0.2% of the MLP at layer 18) that can be partitioned into disjoint clusters, each computing the sum for a Fourier feature with a different period. Our work highlights how an interplay between causal abstraction and feature geometry can deepen our mechanistic understanding of LMs.

With the comprehensive research conducted on various face analysis tasks, there is a growing interest among researchers to develop a unified approach to face perception. Existing methods mainly discuss unified representation and training, which lack task extensibility and application efficiency. To tackle this issue, we focus on the unified model structure, exploring a face generalist model. As an intuitive design, Naive Faceptor enables tasks with the same output shape and granularity to share the structural design of the standardized output head, achieving improved task extensibility. Furthermore, Faceptor is proposed to adopt a well-designed single-encoder dual-decoder architecture, allowing task-specific queries to represent new-coming semantics. This design enhances the unification of model structure while improving application efficiency in terms of storage overhead. Additionally, we introduce Layer-Attention into Faceptor, enabling the model to adaptively select features from optimal layers to perform the desired tasks. Through joint training on 13 face perception datasets, Faceptor achieves exceptional performance in facial landmark localization, face parsing, age estimation, expression recognition, binary attribute classification, and face recognition, achieving or surpassing specialized methods in most tasks. Our training framework can also be applied to auxiliary supervised learning, significantly improving performance in data-sparse tasks such as age estimation and expression recognition. The code and models will be made publicly available at https://github.com/lxq1000/Faceptor.

Over the past decade, machine learning has revolutionized computers' ability to analyze text through flexible computational models. Due to their structural similarity to written language, transformer-based architectures have also shown promise as tools to make sense of a range of multi-variate sequences from protein-structures, music, electronic health records to weather-forecasts. We can also represent human lives in a way that shares this structural similarity to language. From one perspective, lives are simply sequences of events: People are born, visit the pediatrician, start school, move to a new location, get married, and so on. Here, we exploit this similarity to adapt innovations from natural language processing to examine the evolution and predictability of human lives based on detailed event sequences. We do this by drawing on arguably the most comprehensive registry data in existence, available for an entire nation of more than six million individuals across decades. Our data include information about life-events related to health, education, occupation, income, address, and working hours, recorded with day-to-day resolution. We create embeddings of life-events in a single vector space showing that this embedding space is robust and highly structured. Our models allow us to predict diverse outcomes ranging from early mortality to personality nuances, outperforming state-of-the-art models by a wide margin. Using methods for interpreting deep learning models, we probe the algorithm to understand the factors that enable our predictions. Our framework allows researchers to identify new potential mechanisms that impact life outcomes and associated possibilities for personalized interventions.

We present a novel method for hierarchical topic detection where topics are obtained by clustering documents in multiple ways. Specifically, we model document collections using a class of graphical models called hierarchical latent tree models (HLTMs). The variables at the bottom level of an HLTM are observed binary variables that represent the presence/absence of words in a document. The variables at other levels are binary latent variables, with those at the lowest latent level representing word co-occurrence patterns and those at higher levels representing co-occurrence of patterns at the level below. Each latent variable gives a soft partition of the documents, and document clusters in the partitions are interpreted as topics. Latent variables at high levels of the hierarchy capture long-range word co-occurrence patterns and hence give thematically more general topics, while those at low levels of the hierarchy capture short-range word co-occurrence patterns and give thematically more specific topics. Unlike LDA-based topic models, HLTMs do not refer to a document generation process and use word variables instead of token variables. They use a tree structure to model the relationships between topics and words, which is conducive to the discovery of meaningful topics and topic hierarchies.

Activation decomposition methods in language models are tightly coupled to geometric assumptions on how concepts are realized in activation space. Existing approaches search for individual global directions, implicitly assuming linear separability, which overlooks concepts with nonlinear or multi-dimensional structure. In this work, we leverage Mixture of Factor Analyzers (MFA) as a scalable, unsupervised alternative that models the activation space as a collection of Gaussian regions with their local covariance structure. MFA decomposes activations into two compositional geometric objects: the region's centroid in activation space, and the local variation from the centroid. We train large-scale MFAs for Llama-3.1-8B and Gemma-2-2B, and show they capture complex, nonlinear structures in activation space. Moreover, evaluations on localization and steering benchmarks show that MFA outperforms unsupervised baselines, is competitive with supervised localization methods, and often achieves stronger steering performance than sparse autoencoders. Together, our findings position local geometry, expressed through subspaces, as a promising unit of analysis for scalable concept discovery and model control, accounting for complex structures that isolated directions fail to capture.

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.

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

Within the limited scope of this paper, we argue that artificial general intelligence cannot emerge from current neural network paradigms regardless of scale, nor is such an approach healthy for the field at present. Drawing on various notions, discussions, present-day developments and observations, current debates and critiques, experiments, and so on in between philosophy, including the Chinese Room Argument and Gödelian argument, neuroscientific ideas, computer science, the theoretical consideration of artificial intelligence, and learning theory, we address conceptually that neural networks are architecturally insufficient for genuine understanding. They operate as static function approximators of a limited encoding framework - a 'sophisticated sponge' exhibiting complex behaviours without structural richness that constitute intelligence. We critique the theoretical foundations the field relies on and created of recent times; for example, an interesting heuristic as neural scaling law (as an example, arXiv:2001.08361 ) made prominent in a wrong way of interpretation, The Universal Approximation Theorem addresses the wrong level of abstraction and, in parts, partially, the question of current architectures lacking dynamic restructuring capabilities. We propose a framework distinguishing existential facilities (computational substrate) from architectural organization (interpretive structures), and outline principles for what genuine machine intelligence would require, and furthermore, a conceptual method of structuralizing the richer framework on which the principle of neural network system takes hold.

Instance level detection and segmentation of thoracic diseases or abnormalities are crucial for automatic diagnosis in chest X-ray images. Leveraging on constant structure and disease relations extracted from domain knowledge, we propose a structure-aware relation network (SAR-Net) extending Mask R-CNN. The SAR-Net consists of three relation modules: 1. the anatomical structure relation module encoding spatial relations between diseases and anatomical parts. 2. the contextual relation module aggregating clues based on query-key pair of disease RoI and lung fields. 3. the disease relation module propagating co-occurrence and causal relations into disease proposals. Towards making a practical system, we also provide ChestX-Det, a chest X-Ray dataset with instance-level annotations (boxes and masks). ChestX-Det is a subset of the public dataset NIH ChestX-ray14. It contains ~3500 images of 13 common disease categories labeled by three board-certified radiologists. We evaluate our SAR-Net on it and another dataset DR-Private. Experimental results show that it can enhance the strong baseline of Mask R-CNN with significant improvements. The ChestX-Det is released at https://github.com/Deepwise-AILab/ChestX-Det-Dataset.

Recent approaches for predicting layouts from 360 panoramas produce excellent results. These approaches build on a common framework consisting of three steps: a pre-processing step based on edge-based alignment, prediction of layout elements, and a post-processing step by fitting a 3D layout to the layout elements. Until now, it has been difficult to compare the methods due to multiple different design decisions, such as the encoding network (e.g. SegNet or ResNet), type of elements predicted (e.g. corners, wall/floor boundaries, or semantic segmentation), or method of fitting the 3D layout. To address this challenge, we summarize and describe the common framework, the variants, and the impact of the design decisions. For a complete evaluation, we also propose extended annotations for the Matterport3D dataset [3], and introduce two depth-based evaluation metrics.

Deep learning models are increasingly data-hungry, requiring significant resources to collect and compile the datasets needed to train them, with Earth Observation (EO) models being no exception. However, the landscape of datasets in EO is relatively atomised, with interoperability made difficult by diverse formats and data structures. If ever larger datasets are to be built, and duplication of effort minimised, then a shared framework that allows users to combine and access multiple datasets is needed. Here, Major TOM (Terrestrial Observation Metaset) is proposed as this extensible framework. Primarily, it consists of a geographical indexing system based on a set of grid points and a metadata structure that allows multiple datasets with different sources to be merged. Besides the specification of Major TOM as a framework, this work also presents a large, open-access dataset, MajorTOM-Core, which covers the vast majority of the Earth's land surface. This dataset provides the community with both an immediately useful resource, as well as acting as a template for future additions to the Major TOM ecosystem. Access: https://huggingface.co/Major-TOM

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.

We present a novel application of category theory for deep learning. We show how category theory can be used to understand and work with the linear layer functions of group equivariant neural networks whose layers are some tensor power space of R^{n} for the groups S_n, O(n), Sp(n), and SO(n). By using category theoretic constructions, we build a richer structure that is not seen in the original formulation of these neural networks, leading to new insights. In particular, we outline the development of an algorithm for quickly computing the result of a vector that is passed through an equivariant, linear layer for each group in question. The success of our approach suggests that category theory could be beneficial for other areas of deep learning.

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.

Motivated by the hypothesis that neural network representations encode abstract, interpretable features as linearly accessible, approximately orthogonal directions, sparse autoencoders (SAEs) have become a popular tool in interpretability. However, recent work has demonstrated phenomenology of model representations that lies outside the scope of this hypothesis, showing signatures of hierarchical, nonlinear, and multi-dimensional features. This raises the question: do SAEs represent features that possess structure at odds with their motivating hypothesis? If not, does avoiding this mismatch help identify said features and gain further insights into neural network representations? To answer these questions, we take a construction-based approach and re-contextualize the popular matching pursuits (MP) algorithm from sparse coding to design MP-SAE -- an SAE that unrolls its encoder into a sequence of residual-guided steps, allowing it to capture hierarchical and nonlinearly accessible features. Comparing this architecture with existing SAEs on a mixture of synthetic and natural data settings, we show: (i) hierarchical concepts induce conditionally orthogonal features, which existing SAEs are unable to faithfully capture, and (ii) the nonlinear encoding step of MP-SAE recovers highly meaningful features, helping us unravel shared structure in the seemingly dichotomous representation spaces of different modalities in a vision-language model, hence demonstrating the assumption that useful features are solely linearly accessible is insufficient. We also show that the sequential encoder principle of MP-SAE affords an additional benefit of adaptive sparsity at inference time, which may be of independent interest. Overall, we argue our results provide credence to the idea that interpretability should begin with the phenomenology of representations, with methods emerging from assumptions that fit it.

Although learned representations underlie neural networks' success, their fundamental properties remain poorly understood. A striking example is the emergence of simple geometric structures in LLM representations: for example, calendar months organize into a circle, years form a smooth one-dimensional manifold, and cities' latitudes and longitudes can be decoded by a linear probe. We show that the statistics of language exhibit a translation symmetry -- e.g., the co-occurrence probability of two months depends only on the time interval between them -- and we prove that the latter governs the aforementioned geometric structures in high-dimensional word embedding models. Moreover, we find that these structures persist even when the co-occurrence statistics are strongly perturbed (for example, by removing all sentences in which two months appear together) and at moderate embedding dimension. We show that this robustness naturally emerges if the co-occurrence statistics are collectively controlled by an underlying continuous latent variable. We empirically validate this theoretical framework in word embedding models, text embedding models, and large language models.

Foundation models have transformed vision and language by learning general-purpose representations from large-scale unlabeled data, yet 3D medical imaging lacks analogous approaches. Existing self-supervised methods rely on low-level reconstruction or contrastive objectives that fail to capture the anatomical semantics critical for medical image analysis, limiting transfer to downstream tasks. We present MASS (MAsk-guided Self-Supervised learning), which treats in-context segmentation as the pretext task for learning general-purpose medical imaging representations. MASS's key insight is that automatically generated class-agnostic masks provide sufficient structural supervision for learning semantically rich representations. By training on thousands of diverse mask proposals spanning anatomical structures and pathological findings, MASS learns what semantically defines medical structures: the holistic combination of appearance, shape, spatial context, and anatomical relationships. We demonstrate effectiveness across data regimes: from small-scale pretraining on individual datasets (20-200 scans) to large-scale multi-modal pretraining on 5K CT, MRI, and PET volumes, all without annotations. MASS demonstrates: (i) few-shot segmentation on novel structures, (ii) matching full supervision with only 20-40\% labeled data while outperforming self-supervised baselines by over 20 in Dice score in low-data regimes, and (iii) frozen-encoder classification on unseen pathologies that matches full supervised training with thousands of samples. Mask-guided self-supervised pretraining captures broadly generalizable knowledge, opening a path toward 3D medical imaging foundation models without expert annotations. Code is available: https://github.com/Stanford-AIMI/MASS.

Large language models (LLMs) have shown remarkable capability in natural language tasks, yet debate persists on whether they truly comprehend deep structure (i.e., core semantics) or merely rely on surface structure (e.g., presentation format). Prior studies observe that LLMs' performance declines when intervening on surface structure, arguing their success relies on surface structure recognition. However, surface structure sensitivity does not prevent deep structure comprehension. Rigorously evaluating LLMs' capability requires analyzing both, yet deep structure is often overlooked. To this end, we assess LLMs' comprehension ability using causal mediation analysis, aiming to fully discover the capability of using both deep and surface structures. Specifically, we formulate the comprehension of deep structure as direct causal effect (DCE) and that of surface structure as indirect causal effect (ICE), respectively. To address the non-estimability of original DCE and ICE -- stemming from the infeasibility of isolating mutual influences of deep and surface structures, we develop the corresponding quantifiable surrogates, including approximated DCE (ADCE) and approximated ICE (AICE). We further apply the ADCE to evaluate a series of mainstream LLMs, showing that most of them exhibit deep structure comprehension ability, which grows along with the prediction accuracy. Comparing ADCE and AICE demonstrates closed-source LLMs rely more on deep structure, while open-source LLMs are more surface-sensitive, which decreases with model scale. Theoretically, ADCE is a bidirectional evaluation, which measures both the sufficiency and necessity of deep structure changes in causing output variations, thus offering a more comprehensive assessment than accuracy, a common evaluation in LLMs. Our work provides new insights into LLMs' deep structure comprehension and offers novel methods for LLMs evaluation.

Coecke, Sadrzadeh, and Clark (arXiv:1003.4394v1 [cs.CL]) developed a compositional model of meaning for distributional semantics, in which each word in a sentence has a meaning vector and the distributional meaning of the sentence is a function of the tensor products of the word vectors. Abstractly speaking, this function is the morphism corresponding to the grammatical structure of the sentence in the category of finite dimensional vector spaces. In this paper, we provide a concrete method for implementing this linear meaning map, by constructing a corpus-based vector space for the type of sentence. Our construction method is based on structured vector spaces whereby meaning vectors of all sentences, regardless of their grammatical structure, live in the same vector space. Our proposed sentence space is the tensor product of two noun spaces, in which the basis vectors are pairs of words each augmented with a grammatical role. This enables us to compare meanings of sentences by simply taking the inner product of their vectors.

Compositional generalization, the ability to recognize familiar parts in novel contexts, is a defining property of intelligent systems. Although modern models are trained on massive datasets, they still cover only a tiny fraction of the combinatorial space of possible inputs, raising the question of what structure representations must have to support generalization to unseen combinations. We formalize three desiderata for compositional generalization under standard training (divisibility, transferability, stability) and show they impose necessary geometric constraints: representations must decompose linearly into per-concept components, and these components must be orthogonal across concepts. This provides theoretical grounding for the Linear Representation Hypothesis: the linear structure widely observed in neural representations is a necessary consequence of compositional generalization. We further derive dimension bounds linking the number of composable concepts to the embedding geometry. Empirically, we evaluate these predictions across modern vision models (CLIP, SigLIP, DINO) and find that representations exhibit partial linear factorization with low-rank, near-orthogonal per-concept factors, and that the degree of this structure correlates with compositional generalization on unseen combinations. As models continue to scale, these conditions predict the representational geometry they may converge to. Code is available at https://github.com/oshapio/necessary-compositionality.

Domain expertise enhances judgment within boundaries but creates systematic vulnerabilities specifically at borders. We term this Transitive Expert Error (TEE), distinct from Dunning-Kruger effects, requiring calibrated expertise as precondition. Mechanisms enabling reliable within-domain judgment become liabilities when structural similarity masks causal divergence. Two core mechanisms operate: structural similarity bias causes experts to overweight surface features (shared vocabulary, patterns, formal structure) while missing causal architecture differences; authority persistence maintains confidence across competence boundaries through social reinforcement and metacognitive failures (experts experience no subjective uncertainty as pattern recognition operates smoothly on familiar-seeming inputs.) These mechanism intensify under three conditions: shared vocabulary masking divergent processes, social pressure for immediate judgment, and delayed feedback. These findings extend to AI routing architectures (MoE systems, multi-model orchestration, tool-using agents, RAG systems) exhibiting routing-induced failures (wrong specialist selected) and coverage-induced failures (no appropriate specialist exists). Both produce a hallucination phenotype: confident, coherent, structurally plausible but causally incorrect outputs at domain boundaries. In human systems where mechanisms are cognitive black boxes; AI architectures make them explicit and addressable. We propose interventions: multi-expert activation with disagreement detection (router level), boundary-aware calibration (specialist level), and coverage gap detection (training level). TEE has detectable signatures (routing patterns, confidence-accuracy dissociations, domain-inappropriate content) enabling monitoring and mitigation. What remains intractable in human cognition becomes addressable through architectural design.

The distribution of subpopulations is an important property hidden within a dataset. Uncovering and analyzing the subpopulation distribution within datasets provides a comprehensive understanding of the datasets, standing as a powerful tool beneficial to various downstream tasks, including Dataset Subpopulation Organization, Subpopulation Shift, and Slice Discovery. Despite its importance, there has been no work that systematically explores the subpopulation distribution of datasets to our knowledge. To address the limitation and solve all the mentioned tasks in a unified way, we introduce a novel concept of subpopulation structures to represent, analyze, and utilize subpopulation distributions within datasets. To characterize the structures in an interpretable manner, we propose the Subpopulation Structure Discovery with Large Language Models (SSD-LLM) framework, which employs world knowledge and instruction-following capabilities of Large Language Models (LLMs) to linguistically analyze informative image captions and summarize the structures. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery.

Scientific surveys require not only summarizing large bodies of literature, but also organizing them into clear and coherent conceptual structures. Existing automatic survey generation methods typically focus on linear text generation and struggle to explicitly model hierarchical relations among research topics and structured methodological comparisons, resulting in gaps in structural organization compared to expert-written surveys. We propose MVSS, a multi-view structured survey generation framework that jointly generates and aligns citation-grounded hierarchical trees, structured comparison tables, and survey text. MVSS follows a structure-first paradigm: it first constructs a conceptual tree of the research domain, then generates comparison tables constrained by the tree, and finally uses both as structural constraints for text generation. This enables complementary multi-view representations across structure, comparison, and narrative. We introduce an evaluation framework assessing structural quality, comparative completeness, and citation fidelity. Experiments on 76 computer science topics show MVSS outperforms existing methods in organization and evidence grounding, achieving performance comparable to expert surveys.

We investigate the geometric structure of learning dynamics in overparameterized transformer models through carefully controlled modular arithmetic tasks. Our primary finding is that despite operating in high-dimensional parameter spaces (d=128), transformer training trajectories rapidly collapse onto low-dimensional execution manifolds of dimension 3--4. This dimensional collapse is robust across random seeds and moderate task difficulties, though the orientation of the manifold in parameter space varies between runs. We demonstrate that this geometric structure underlies several empirically observed phenomena: (1) sharp attention concentration emerges as saturation along routing coordinates within the execution manifold, (2) SGD commutators are preferentially aligned with the execution subspace (up to 10times random baseline) early in training, with >92% of non-commutativity confined to orthogonal staging directions and this alignment decreasing as training converges, and (3) sparse autoencoders capture auxiliary routing structure but fail to isolate execution itself, which remains distributed across the low-dimensional manifold. Our results suggest a unifying geometric framework for understanding transformer learning, where the vast majority of parameters serve to absorb optimization interference while core computation occurs in a dramatically reduced subspace. These findings have implications for interpretability, training curriculum design, and understanding the role of overparameterization in neural network learning.

Given a generalist model, learning a task-relevant specialist representation is fundamental for downstream applications. Identifiability, the asymptotic guarantee of recovering the ground-truth representation, is critical because it sets the ultimate limit of any model, even with infinite data and computation. We study this problem in a completely nonparametric setting, without relying on interventions, parametric forms, or structural constraints. We first prove that the structure between time steps and tasks is identifiable in a fully unsupervised manner, even when sequences lack strict temporal dependence and may exhibit disconnections, and task assignments can follow arbitrarily complex and interleaving structures. We then prove that, within each time step, the task-relevant latent representation can be disentangled from the irrelevant part under a simple sparsity regularization, without any additional information or parametric constraints. Together, these results establish a hierarchical foundation: task structure is identifiable across time steps, and task-relevant latent representations are identifiable within each step. To our knowledge, each result provides a first general nonparametric identifiability guarantee, and together they mark a step toward provably moving from generalist to specialist models.

Topic modeling is a well-established technique for exploring text corpora. Conventional topic models (e.g., LDA) represent topics as bags of words that often require "reading the tea leaves" to interpret; additionally, they offer users minimal semantic control over topics. To tackle these issues, we introduce TopicGPT, a prompt-based framework that uses large language models (LLMs) to uncover latent topics within a provided text collection. TopicGPT produces topics that align better with human categorizations compared to competing methods: for example, it achieves a harmonic mean purity of 0.74 against human-annotated Wikipedia topics compared to 0.64 for the strongest baseline. Its topics are also more interpretable, dispensing with ambiguous bags of words in favor of topics with natural language labels and associated free-form descriptions. Moreover, the framework is highly adaptable, allowing users to specify constraints and modify topics without the need for model retraining. TopicGPT can be further extended to hierarchical topical modeling, enabling users to explore topics at various levels of granularity. By streamlining access to high-quality and interpretable topics, TopicGPT represents a compelling, human-centered approach to topic modeling.

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt engineering coupled with structures has emerged as a promising paradigm, with designs such as Chain-of-Thought, Tree of Thoughts, or Graph of Thoughts, in which the overall LLM reasoning is guided by a structure such as a graph. As illustrated with numerous examples, this paradigm significantly enhances the LLM's capability to solve numerous tasks, ranging from logical or mathematical reasoning to planning or creative writing. To facilitate the understanding of this growing field and pave the way for future developments, we devise a general blueprint for effective and efficient LLM reasoning schemes. For this, we conduct an in-depth analysis of the prompt execution pipeline, clarifying and clearly defining different concepts. We then build the first taxonomy of structure-enhanced LLM reasoning schemes. We focus on identifying fundamental classes of harnessed structures, and we analyze the representations of these structures, algorithms executed with these structures, and many others. We refer to these structures as reasoning topologies, because their representation becomes to a degree spatial, as they are contained within the LLM context. Our study compares existing prompting schemes using the proposed taxonomy, discussing how certain design choices lead to different patterns in performance and cost. We also outline theoretical underpinnings, relationships between prompting and others parts of the LLM ecosystem such as knowledge bases, and the associated research challenges. Our work will help to advance future prompt engineering techniques.

In this work, we focus on the problem of retrieving relevant arguments for a query claim covering diverse aspects. State-of-the-art methods rely on explicit mappings between claims and premises, and thus are unable to utilize large available collections of premises without laborious and costly manual annotation. Their diversity approach relies on removing duplicates via clustering which does not directly ensure that the selected premises cover all aspects. This work introduces a new multi-step approach for the argument retrieval problem. Rather than relying on ground-truth assignments, our approach employs a machine learning model to capture semantic relationships between arguments. Beyond that, it aims to cover diverse facets of the query, instead of trying to identify duplicates explicitly. Our empirical evaluation demonstrates that our approach leads to a significant improvement in the argument retrieval task even though it requires less data.

Physics education researchers (PER) often analyze student data with single-level regression models (e.g., linear and logistic regression). However, education datasets can have hierarchical structures, such as students nested within courses, that single-level models fail to account for. The improper use of single-level models to analyze hierarchical datasets can lead to biased findings. Hierarchical models (a.k.a., multi-level models) account for this hierarchical nested structure in the data. In this publication, we outline the theoretical differences between how single-level and multi-level models handle hierarchical datasets. We then present analysis of a dataset from 112 introductory physics courses using both multiple linear regression and hierarchical linear modeling to illustrate the potential impact of using an inappropriate analytical method on PER findings and implications. Research can leverage multi-institutional datasets to improve the field's understanding of how to support student success in physics. There is no post hoc fix, however, if researchers use inappropriate single-level models to analyze multi-level datasets. To continue developing reliable and generalizable knowledge, PER should use hierarchical models when analyzing hierarchical datasets. The supplemental materials include a sample dataset, R code to model the building and analysis presented in the paper, and an HTML output from the R code.

Hierarchical text classification (HTC) and extreme multi-label classification (XML) tasks face compounded challenges from complex label interdependencies, data sparsity, and extreme output dimensions. These challenges are exemplified in the European Food Safety Authority's FoodEx2 system-a standardized food classification framework essential for food consumption monitoring and contaminant exposure assessment across Europe. FoodEx2 coding transforms natural language food descriptions into a set of codes from multiple standardized hierarchies, but faces implementation barriers due to its complex structure. Given a food description (e.g., "organic yogurt''), the system identifies its base term ("yogurt''), all the applicable facet categories (e.g., "production method''), and then, every relevant facet descriptors to each category (e.g., "organic production''). While existing models perform adequately on well-balanced and semantically dense hierarchies, no work has been applied on the practical constraints imposed by the FoodEx2 system. The limited literature addressing such real-world scenarios further compounds these challenges. We propose FEAST (Food Embedding And Semantic Taxonomy), a novel retrieval-augmented framework that decomposes FoodEx2 classification into a three-stage approach: (1) base term identification, (2) multi-label facet prediction, and (3) facet descriptor assignment. By leveraging the system's hierarchical structure to guide training and performing deep metric learning, FEASTlearns discriminative embeddings that mitigate data sparsity and improve generalization on rare and fine-grained labels. Evaluated on the multilingual FoodEx2 benchmark, FEAST outperforms the prior European's CNN baseline F1 scores by 12-38 % on rare classes.

Topic models are useful tools for discovering latent semantic structures in large textual corpora. Topic modeling historically relied on bag-of-words representations of language. This approach makes models sensitive to the presence of stop words and noise, and does not utilize potentially useful contextual information. Recent efforts have been oriented at incorporating contextual neural representations in topic modeling and have been shown to outperform classical topic models. These approaches are, however, typically slow, volatile and still require preprocessing for optimal results. We present Semantic Signal Separation (S^3), a theory-driven topic modeling approach in neural embedding spaces. S^3 conceptualizes topics as independent axes of semantic space, and uncovers these with blind-source separation. Our approach provides the most diverse, highly coherent topics, requires no preprocessing, and is demonstrated to be the fastest contextually sensitive topic model to date. We offer an implementation of S^3, among other approaches, in the Turftopic Python package.

Multimodal models have demonstrated powerful capabilities in complex tasks requiring multimodal alignment including zero-shot classification and cross-modal retrieval. However, existing models typically rely on millions of paired multimodal samples, which are prohibitively expensive or infeasible to obtain in many domains. In this work, we explore the feasibility of building multimodal models with limited amount of paired data by aligning pretrained unimodal foundation models. We show that high-quality alignment is possible with as few as tens of thousands of paired samplesx2013less than 1% of the data typically used in the field. To achieve this, we introduce STRUCTURE, an effective regularization technique that preserves the neighborhood geometry of the latent space of unimodal encoders. Additionally, we show that aligning last layers is often suboptimal and demonstrate the benefits of aligning the layers with the highest representational similarity across modalities. These two components can be readily incorporated into existing alignment methods, yielding substantial gains across 24 zero-shot image classification and retrieval benchmarks, with average relative improvement of 51.6% in classification and 91.8% in retrieval tasks. Our results highlight the effectiveness and broad applicability of our framework for limited-sample multimodal learning and offer a promising path forward for resource-constrained domains.

Time series forecasting models are increasingly scaled through large Transformer backbones, yet most existing approaches process all series through a shared dense computation path despite substantial heterogeneity in temporal structure. Mixture-of-Experts (MoE) offers a natural alternative by enabling conditional computation, but standard MoE routing leaves expert specialization weakly identified and often unstable during downstream adaptation. We propose AME-TS, a structure-guided sparse time series foundation model that aligns expert routing with interpretable temporal structure. AME-TS first uses a lightweight regime predictor to estimate series-level descriptors, including forecastability, seasonality, trend, and sparsity, and maps them to a soft structural prior over experts. This series-level prior guides token-level routing during training, encouraging structure-aligned specialization. On the GIFT-Eval benchmark, AME-TS delivers a strong accuracy-efficiency tradeoff across model scales: it substantially outperforms existing time series foundation models at small model scales and remains competitive with the strongest models at larger scales, while activating substantially fewer parameters through sparse routing. We further show that AME-TS learns more interpretable routing geometry and substantially more stable expert specialization than standard MoE during fine-tuning on the M5 dataset. These results suggest that structure-aware routing is an effective and reliable way to realize the benefits of sparse expert models for time series forecasting.

We propose SemCSE-Multi, a novel unsupervised framework for generating multifaceted embeddings of scientific abstracts, evaluated in the domains of invasion biology and medicine. These embeddings capture distinct, individually specifiable aspects in isolation, thus enabling fine-grained and controllable similarity assessments as well as adaptive, user-driven visualizations of scientific domains. Our approach relies on an unsupervised procedure that produces aspect-specific summarizing sentences and trains embedding models to map semantically related summaries to nearby positions in the embedding space. We then distill these aspect-specific embedding capabilities into a unified embedding model that directly predicts multiple aspect embeddings from a scientific abstract in a single, efficient forward pass. In addition, we introduce an embedding decoding pipeline that decodes embeddings back into natural language descriptions of their associated aspects. Notably, we show that this decoding remains effective even for unoccupied regions in low-dimensional visualizations, thus offering vastly improved interpretability in user-centric settings.

While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named Li_2, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) \textbf{L}azy learning, (II) \textbf{i}ndependent feature learning and (III) \textbf{i}nteractive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient G_F from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function E, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how G_F changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals the underlying cause why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layer architectures.

Document structure editing involves manipulating localized textual, visual, and layout components in document images based on the user's requests. Past works have shown that multimodal grounding of user requests in the document image and identifying the accurate structural components and their associated attributes remain key challenges for this task. To address these, we introduce the DocEdit-v2, a novel framework that performs end-to-end document editing by leveraging Large Multimodal Models (LMMs). It consists of three novel components: (1) Doc2Command, which simultaneously localizes edit regions of interest (RoI) and disambiguates user edit requests into edit commands; (2) LLM-based Command Reformulation prompting to tailor edit commands originally intended for specialized software into edit instructions suitable for generalist LMMs. (3) Moreover, DocEdit-v2 processes these outputs via Large Multimodal Models like GPT-4V and Gemini, to parse the document layout, execute edits on grounded Region of Interest (RoI), and generate the edited document image. Extensive experiments on the DocEdit dataset show that DocEdit-v2 significantly outperforms strong baselines on edit command generation (2-33%), RoI bounding box detection (12-31%), and overall document editing (1-12\%) tasks.

Identifying the intent of a citation in scientific papers (e.g., background information, use of methods, comparing results) is critical for machine reading of individual publications and automated analysis of the scientific literature. We propose structural scaffolds, a multitask model to incorporate structural information of scientific papers into citations for effective classification of citation intents. Our model achieves a new state-of-the-art on an existing ACL anthology dataset (ACL-ARC) with a 13.3% absolute increase in F1 score, without relying on external linguistic resources or hand-engineered features as done in existing methods. In addition, we introduce a new dataset of citation intents (SciCite) which is more than five times larger and covers multiple scientific domains compared with existing datasets. Our code and data are available at: https://github.com/allenai/scicite.

Semi-structured documents integrate diverse interleaved data elements (e.g., tables, charts, hierarchical paragraphs) arranged in various and often irregular layouts. These documents are widely observed across domains and account for a large portion of real-world data. However, existing methods struggle to support natural language question answering over these documents due to three main technical challenges: (1) The elements extracted by techniques like OCR are often fragmented and stripped of their original semantic context, making them inadequate for analysis. (2) Existing approaches lack effective representations to capture hierarchical structures within documents (e.g., associating tables with nested chapter titles) and to preserve layout-specific distinctions (e.g., differentiating sidebars from main content). (3) Answering questions often requires retrieving and aligning relevant information scattered across multiple regions or pages, such as linking a descriptive paragraph to table cells located elsewhere in the document. To address these issues, we propose MoDora, an LLM-powered system for semi-structured document analysis. First, we adopt a local-alignment aggregation strategy to convert OCR-parsed elements into layout-aware components, and conduct type-specific information extraction for components with hierarchical titles or non-text elements. Second, we design the Component-Correlation Tree (CCTree) to hierarchically organize components, explicitly modeling inter-component relations and layout distinctions through a bottom-up cascade summarization process. Finally, we propose a question-type-aware retrieval strategy that supports (1) layout-based grid partitioning for location-based retrieval and (2) LLM-guided pruning for semantic-based retrieval. Experiments show MoDora outperforms baselines by 5.97%-61.07% in accuracy. The code is at https://github.com/weAIDB/MoDora.

Long-form answers, consisting of multiple sentences, can provide nuanced and comprehensive answers to a broader set of questions. To better understand this complex and understudied task, we study the functional structure of long-form answers collected from three datasets, ELI5, WebGPT and Natural Questions. Our main goal is to understand how humans organize information to craft complex answers. We develop an ontology of six sentence-level functional roles for long-form answers, and annotate 3.9k sentences in 640 answer paragraphs. Different answer collection methods manifest in different discourse structures. We further analyze model-generated answers -- finding that annotators agree less with each other when annotating model-generated answers compared to annotating human-written answers. Our annotated data enables training a strong classifier that can be used for automatic analysis. We hope our work can inspire future research on discourse-level modeling and evaluation of long-form QA systems.

Driven by advances in recording technology, large-scale high-dimensional datasets have emerged across many scientific disciplines. Especially in biology, clustering is often used to gain insights into the structure of such datasets, for instance to understand the organization of different cell types. However, clustering is known to scale poorly to high dimensions, even though the exact impact of dimensionality is unclear as current benchmark datasets are mostly two-dimensional. Here we propose MNIST-Nd, a set of synthetic datasets that share a key property of real-world datasets, namely that individual samples are noisy and clusters do not perfectly separate. MNIST-Nd is obtained by training mixture variational autoencoders with 2 to 64 latent dimensions on MNIST, resulting in six datasets with comparable structure but varying dimensionality. It thus offers the chance to disentangle the impact of dimensionality on clustering. Preliminary common clustering algorithm benchmarks on MNIST-Nd suggest that Leiden is the most robust for growing dimensions.

Advances in machine learning are closely tied to the creation of datasets. While data documentation is widely recognized as essential to the reliability, reproducibility, and transparency of ML, we lack a systematic empirical understanding of current dataset documentation practices. To shed light on this question, here we take Hugging Face -- one of the largest platforms for sharing and collaborating on ML models and datasets -- as a prominent case study. By analyzing all 7,433 dataset documentation on Hugging Face, our investigation provides an overview of the Hugging Face dataset ecosystem and insights into dataset documentation practices, yielding 5 main findings: (1) The dataset card completion rate shows marked heterogeneity correlated with dataset popularity. (2) A granular examination of each section within the dataset card reveals that the practitioners seem to prioritize Dataset Description and Dataset Structure sections, while the Considerations for Using the Data section receives the lowest proportion of content. (3) By analyzing the subsections within each section and utilizing topic modeling to identify key topics, we uncover what is discussed in each section, and underscore significant themes encompassing both technical and social impacts, as well as limitations within the Considerations for Using the Data section. (4) Our findings also highlight the need for improved accessibility and reproducibility of datasets in the Usage sections. (5) In addition, our human annotation evaluation emphasizes the pivotal role of comprehensive dataset content in shaping individuals' perceptions of a dataset card's overall quality. Overall, our study offers a unique perspective on analyzing dataset documentation through large-scale data science analysis and underlines the need for more thorough dataset documentation in machine learning research.

The advances in remote sensing technologies have boosted applications for Earth observation. These technologies provide multiple observations or views with different levels of information. They might contain static or temporary views with different levels of resolution, in addition to having different types and amounts of noise due to sensor calibration or deterioration. A great variety of deep learning models have been applied to fuse the information from these multiple views, known as deep multi-view or multi-modal fusion learning. However, the approaches in the literature vary greatly since different terminology is used to refer to similar concepts or different illustrations are given to similar techniques. This article gathers works on multi-view fusion for Earth observation by focusing on the common practices and approaches used in the literature. We summarize and structure insights from several different publications concentrating on unifying points and ideas. In this manuscript, we provide a harmonized terminology while at the same time mentioning the various alternative terms that are used in literature. The topics covered by the works reviewed focus on supervised learning with the use of neural network models. We hope this review, with a long list of recent references, can support future research and lead to a unified advance in the area.

Geometric Attention (GA) specifies an attention layer by four independent inputs: a finite carrier (what indices are addressable), an evidence-kernel rule (how masked proto-scores and a link induce nonnegative weights), a probe family (which observables are treated as admissible), and an anchor/update rule (which representative kernel is selected and how it is applied). Probe families induce an operational equivalence relation on kernels and therefore a gauge; anchors select representatives relative to that probe. Under a scalar relational-work representation and a multiplicative compositionality law for evidence, the admissible link family is exponential, yielding Gibbs weights; with row anchoring this includes the softmax kernel family as a subregime. After quotienting unary row/column score fields, the remaining interaction component admits a canonical rank-r normal form (Eckart-Young/SVD); dot-product score charts implement the corresponding low-rank interaction regime. Fixing the carrier and extensionalizing the update yields the standard fixed-token Transformer attention operator; allowing carrier updates yields adaptive-carrier and staged-depth regimes. The operator language also supports multihead/mixed kernels, plan-based anchors (e.g., entropic OT/Sinkhorn), and unary operators (e.g., FFN-style fields) as explicit regime choices. This separates invariant structure from modeling choice, enabling principled comparison and extension of attention mechanisms, and attention-based architectures.

Linear sequences of words are implicitly represented in our brains by hierarchical structures that organize the composition of words in sentences. Linguists formalize different frameworks to model this hierarchy; two of the most common syntactic frameworks are Constituency and Dependency. Constituency represents sentences as nested groups of phrases, while dependency represents a sentence by assigning relations between its words. Recently, the pursuit of intelligent machines has produced Language Models (LMs) capable of solving many language tasks with a human-level performance. Many studies now question whether LMs implicitly represent syntactic hierarchies. This thesis focuses on producing constituency and dependency structures from LMs in an unsupervised setting. I review the critical methods in this field and highlight a line of work that utilizes a numerical representation for binary constituency trees (Syntactic Distance). I present a detailed study on StructFormer (SF) (Shen et al., 2021), which retrofits a transformer encoder architecture with a parser network to produce constituency and dependency structures. I present six experiments to analyze and address this field's challenges; experiments include investigating the effect of repositioning the parser network within the SF architecture, evaluating subword-based induced trees, and benchmarking the models developed in the thesis experiments on linguistic tasks. Models benchmarking is performed by participating in the BabyLM challenge, published at CoNLL 2023 (Momen et al., 2023). The results of this thesis encourage further development in the direction of retrofitting transformer-based models to induce syntactic structures, supported by the acceptable performance of SF in different experimental settings and the observed limitations that require innovative solutions to advance the state of syntactic structure induction.

Large language models (LLMs) have achieved remarkable success across various domains, driving significant technological advancements and innovations. Despite the rapid growth in model scale and capability, systematic, data-driven research on how structural configurations affect performance remains scarce. To address this gap, we present a large-scale dataset encompassing diverse open-source LLM structures and their performance across multiple benchmarks. Leveraging this dataset, we conduct a systematic, data mining-driven analysis to validate and quantify the relationship between structural configurations and performance. Our study begins with a review of the historical development of LLMs and an exploration of potential future trends. We then analyze how various structural choices impact performance across benchmarks and further corroborate our findings using mechanistic interpretability techniques. By providing data-driven insights into LLM optimization, our work aims to guide the targeted development and application of future models. We will release our dataset at https://huggingface.co/datasets/DX0369/LLM-Structure-Performance-Dataset

While researchers are finding concepts represented as linear directions in language models, a bag of linear directions fails to capture relational structure. To better understand this dichotomy, we study a model with known linear representations, but trained in a highly structured domain -- the board game Othello. While the model's internal board-state representation is linearly decodable, we find additional structure in the form of tensor product representations (TPRs). We train TPR probes to recover shared structure amongst the linear probes, yielding a factorization into square-embeddings, color-embeddings, and a binding matrix that composes them to construct the model's board-state representation. We find geometric signatures within the weights of our TPR probe that align with the structure of the board, but perhaps more importantly, that the linear probes can be recovered directly from the parameters of our TPR probe. Our findings suggest that directional representations may be projections of more structured underlying representations.

For text summarization, the role of discourse structure is pivotal in discerning the core content of a text. Regrettably, prior studies on incorporating Rhetorical Structure Theory (RST) into transformer-based summarization models only consider the nuclearity annotation, thereby overlooking the variety of discourse relation types. This paper introduces the 'RSTformer', a novel summarization model that comprehensively incorporates both the types and uncertainty of rhetorical relations. Our RST-attention mechanism, rooted in document-level rhetorical structure, is an extension of the recently devised Longformer framework. Through rigorous evaluation, the model proposed herein exhibits significant superiority over state-of-the-art models, as evidenced by its notable performance on several automatic metrics and human evaluation.

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.

Literature review requires researchers to synthesize a large amount of information and is increasingly challenging as the scientific literature expands. In this work, we investigate the potential of LLMs for producing hierarchical organizations of scientific studies to assist researchers with literature review. We define hierarchical organizations as tree structures where nodes refer to topical categories and every node is linked to the studies assigned to that category. Our naive LLM-based pipeline for hierarchy generation from a set of studies produces promising yet imperfect hierarchies, motivating us to collect CHIME, an expert-curated dataset for this task focused on biomedicine. Given the challenging and time-consuming nature of building hierarchies from scratch, we use a human-in-the-loop process in which experts correct errors (both links between categories and study assignment) in LLM-generated hierarchies. CHIME contains 2,174 LLM-generated hierarchies covering 472 topics, and expert-corrected hierarchies for a subset of 100 topics. Expert corrections allow us to quantify LLM performance, and we find that while they are quite good at generating and organizing categories, their assignment of studies to categories could be improved. We attempt to train a corrector model with human feedback which improves study assignment by 12.6 F1 points. We release our dataset and models to encourage research on developing better assistive tools for literature review.

Complex tables with multi-level headers, merged cells and heterogeneous layouts pose persistent challenges for LLMs in both understanding and reasoning. Existing approaches typically rely on table linearization or normalized grid modeling. However, these representations struggle to explicitly capture hierarchical structures and cross-dimensional dependencies, which can lead to misalignment between structural semantics and textual representations for non-standard tables. To address this issue, we propose an Orthogonal Hierarchical Decomposition (OHD) framework that constructs structure-preserving input representations of complex tables for LLMs. OHD introduces an Orthogonal Tree Induction (OTI) method based on spatial--semantic co-constraints, which decomposes irregular tables into a column tree and a row tree to capture vertical and horizontal hierarchical dependencies, respectively. Building on this representation, we design a dual-pathway association protocol to symmetrically reconstruct semantic lineage of each cell, and incorporate an LLM as a semantic arbitrator to align multi-level semantic information. We evaluate OHD framework on two complex table question answering benchmarks, AITQA and HiTab. Experimental results show that OHD consistently outperforms existing representation paradigms across multiple evaluation metrics.

This paper presents a pioneering methodology, termed StructTuning, to efficiently transform foundation Large Language Models (LLMs) into domain specialists. It significantly minimizes the training corpus requirement to a mere 0.3% while achieving an impressive 50% of traditional knowledge injection performance. Our method is inspired by the educational processes for human students, particularly how structured domain knowledge from textbooks is absorbed and then applied to tackle real-world challenges through specific exercises. Based on this, we propose a novel two-stage knowledge injection strategy: Structure-aware Continual Pre-Training (SCPT) and Structure-aware Supervised Fine-Tuning (SSFT). In the SCPT phase, we organize the training data into an auto-generated taxonomy of domain knowledge, enabling LLMs to effectively memorize textual segments linked to specific expertise within the taxonomy's architecture. Subsequently, in the SSFT phase, we explicitly prompt models to reveal the underlying knowledge structure in their outputs, leveraging this structured domain insight to address practical problems adeptly. Our ultimate method has undergone extensive evaluations across model architectures and scales, using closed-book question-answering tasks on LongBench and MMedBench datasets. Remarkably, our method matches 50% of the improvement displayed by the state-of-the-art MMedLM2 on MMedBench, but with only 0.3% quantity of the training corpus. This breakthrough showcases the potential to scale up our StructTuning for stronger domain-specific LLMs. Code will be made public soon.

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

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.

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.

Automatic bundle construction is a crucial prerequisite step in various bundle-aware online services. Previous approaches are mostly designed to model the bundling strategy of existing bundles. However, it is hard to acquire large-scale well-curated bundle dataset, especially for those platforms that have not offered bundle services before. Even for platforms with mature bundle services, there are still many items that are included in few or even zero bundles, which give rise to sparsity and cold-start challenges in the bundle construction models. To tackle these issues, we target at leveraging multimodal features, item-level user feedback signals, and the bundle composition information, to achieve a comprehensive formulation of bundle construction. Nevertheless, such formulation poses two new technical challenges: 1) how to learn effective representations by optimally unifying multiple features, and 2) how to address the problems of modality missing, noise, and sparsity problems induced by the incomplete query bundles. In this work, to address these technical challenges, we propose a Contrastive Learning-enhanced Hierarchical Encoder method (CLHE). Specifically, we use self-attention modules to combine the multimodal and multi-item features, and then leverage both item- and bundle-level contrastive learning to enhance the representation learning, thus to counter the modality missing, noise, and sparsity problems. Extensive experiments on four datasets in two application domains demonstrate that our method outperforms a list of SOTA methods. The code and dataset are available at https://github.com/Xiaohao-Liu/CLHE.

Since the advent of ChatGPT, Large Language Models (LLMs) have excelled in various tasks but remain largely as black-box systems. Consequently, their development relies heavily on data-driven approaches, limiting performance enhancement through changes in internal architecture and reasoning pathways. As a result, many researchers have begun exploring the potential internal mechanisms of LLMs, aiming to identify the essence of their reasoning bottlenecks, with most studies focusing on attention heads. Our survey aims to shed light on the internal reasoning processes of LLMs by concentrating on the interpretability and underlying mechanisms of attention heads. We first distill the human thought process into a four-stage framework: Knowledge Recalling, In-Context Identification, Latent Reasoning, and Expression Preparation. Using this framework, we systematically review existing research to identify and categorize the functions of specific attention heads. Furthermore, we summarize the experimental methodologies used to discover these special heads, dividing them into two categories: Modeling-Free methods and Modeling-Required methods. Also, we outline relevant evaluation methods and benchmarks. Finally, we discuss the limitations of current research and propose several potential future directions. Our reference list is open-sourced at https://github.com/IAAR-Shanghai/Awesome-Attention-Heads.

Approaching new data can be quite deterrent; you do not know how your categories of interest are realized in it, commonly, there is no labeled data at hand, and the performance of domain adaptation methods is unsatisfactory. Aiming to assist domain experts in their first steps into a new task over a new corpus, we present an unsupervised approach to reveal complex rules which cluster the unexplored corpus by its prominent categories (or facets). These rules are human-readable, thus providing an important ingredient which has become in short supply lately - explainability. Each rule provides an explanation for the commonality of all the texts it clusters together. We present an extensive evaluation of the usefulness of these rules in identifying target categories, as well as a user study which assesses their interpretability.

In "Backprop as functor", the authors show that the fundamental elements of deep learning -- gradient descent and backpropagation -- can be conceptualized as a strong monoidal functor Para(Euc)toLearn from the category of parameterized Euclidean spaces to that of learners, a category developed explicitly to capture parameter update and backpropagation. It was soon realized that there is an isomorphism LearncongPara(Slens), where Slens is the symmetric monoidal category of simple lenses as used in functional programming. In this note, we observe that Slens is a full subcategory of Poly, the category of polynomial functors in one variable, via the functor Amapsto Ay^A. Using the fact that (Poly,otimes) is monoidal closed, we show that a map Ato B in Para(Slens) has a natural interpretation in terms of dynamical systems (more precisely, generalized Moore machines) whose interface is the internal-hom type [Ay^A,By^B]. Finally, we review the fact that the category p-Coalg of dynamical systems on any p in Poly forms a topos, and consider the logical propositions that can be stated in its internal language. We give gradient descent as an example, and we conclude by discussing some directions for future work.

Structural priming is a cognitive phenomenon where exposure to a particular syntactic structure increases the likelihood of producing the same structure in subsequent utterances. While humans consistently demonstrate structural priming effects across various linguistic contexts, it remains unclear whether multimodal large language models (MLLMs) exhibit similar syntactic preservation behaviors. We introduce PRISMATIC, the first multimodal structural priming dataset, which advances computational linguistics by providing a standardized benchmark for investigating syntax-vision interactions. We propose the Syntactic Preservation Index (SPI), a novel reference-free evaluation metric designed specifically to assess structural priming effects in sentence level. Using this metric, we constructed and tested models with two different multimodal encoding architectures to investigate their structural preservation capabilities. Our experimental results demonstrate that models with both encoding methods show comparable syntactic priming effects. However, only fusion-encoded models exhibit robust positive correlations between priming effects and visual similarity, suggesting a cognitive process more aligned with human psycholinguistic patterns. This work provides new insights into evaluating and understanding how syntactic information is processed in multimodal language models.

Standard LLM evaluation practices compress diverse abilities into single scores, obscuring their inherently multidimensional nature. We present JE-IRT, a geometric item-response framework that embeds both LLMs and questions in a shared space. For question embeddings, the direction encodes semantics and the norm encodes difficulty, while correctness on each question is determined by the geometric interaction between the model and question embeddings. This geometry replaces a global ranking of LLMs with topical specialization and enables smooth variation across related questions. Building on this framework, our experimental results reveal that out-of-distribution behavior can be explained through directional alignment, and that larger norms consistently indicate harder questions. Moreover, JE-IRT naturally supports generalization: once the space is learned, new LLMs are added by fitting a single embedding. The learned space further reveals an LLM-internal taxonomy that only partially aligns with human-defined subject categories. JE-IRT thus establishes a unified and interpretable geometric lens that connects LLM abilities with the structure of questions, offering a distinctive perspective on model evaluation and generalization.

Universal Multimodal embedding models built on Multimodal Large Language Models (MLLMs) have traditionally employed contrastive learning, which aligns representations of query-target pairs across different modalities. Yet, despite its empirical success, they are primarily built on a "single-turn" formulation where each query-target pair is treated as an independent data point. This paradigm leads to computational inefficiency when scaling, as it requires a separate forward pass for each pair and overlooks potential contextual relationships between multiple queries that can relate to the same context. In this work, we introduce Multi-Turn Contrastive Learning (MuCo), a dialogue-inspired framework that revisits this process. MuCo leverages the conversational nature of MLLMs to process multiple, related query-target pairs associated with a single image within a single forward pass. This allows us to extract a set of multiple query and target embeddings simultaneously, conditioned on a shared context representation, amplifying the effective batch size and overall training efficiency. Experiments exhibit MuCo with a newly curated 5M multimodal multi-turn dataset (M3T), which yields state-of-the-art retrieval performance on MMEB and M-BEIR benchmarks, while markedly enhancing both training efficiency and representation coherence across modalities. Code and M3T are available at https://github.com/naver-ai/muco

Semantic word embeddings represent the meaning of a word via a vector, and are created by diverse methods. Many use nonlinear operations on co-occurrence statistics, and have hand-tuned hyperparameters and reweighting methods. This paper proposes a new generative model, a dynamic version of the log-linear topic model of~mnih2007three. The methodological novelty is to use the prior to compute closed form expressions for word statistics. This provides a theoretical justification for nonlinear models like PMI, word2vec, and GloVe, as well as some hyperparameter choices. It also helps explain why low-dimensional semantic embeddings contain linear algebraic structure that allows solution of word analogies, as shown by~mikolov2013efficient and many subsequent papers. Experimental support is provided for the generative model assumptions, the most important of which is that latent word vectors are fairly uniformly dispersed in space.

Document clustering and topic modeling are two closely related tasks which can mutually benefit each other. Topic modeling can project documents into a topic space which facilitates effective document clustering. Cluster labels discovered by document clustering can be incorporated into topic models to extract local topics specific to each cluster and global topics shared by all clusters. In this paper, we propose a multi-grain clustering topic model (MGCTM) which integrates document clustering and topic modeling into a unified framework and jointly performs the two tasks to achieve the overall best performance. Our model tightly couples two components: a mixture component used for discovering latent groups in document collection and a topic model component used for mining multi-grain topics including local topics specific to each cluster and global topics shared across clusters.We employ variational inference to approximate the posterior of hidden variables and learn model parameters. Experiments on two datasets demonstrate the effectiveness of our model.

Despite rapid advancements in the capabilities of generative models, pretrained text-to-image models still struggle in capturing the semantics conveyed by complex prompts that compound multiple objects and instance-level attributes. Consequently, we are witnessing growing interests in integrating additional structural constraints, typically in the form of coarse bounding boxes, to better guide the generation process in such challenging cases. In this work, we take the idea of structural guidance a step further by making the observation that contemporary image generation models can directly provide a plausible fine-grained structural initialization. We propose a technique that couples this image-based structural guidance with LLM-based instance-level instructions, yielding output images that adhere to all parts of the text prompt, including object counts, instance-level attributes, and spatial relations between instances.

In this paper, we introduce a new distributional method for modeling predicate-argument thematic fit judgments. We use a syntax-based DSM to build a prototypical representation of verb-specific roles: for every verb, we extract the most salient second order contexts for each of its roles (i.e. the most salient dimensions of typical role fillers), and then we compute thematic fit as a weighted overlap between the top features of candidate fillers and role prototypes. Our experiments show that our method consistently outperforms a baseline re-implementing a state-of-the-art system, and achieves better or comparable results to those reported in the literature for the other unsupervised systems. Moreover, it provides an explicit representation of the features characterizing verb-specific semantic roles.

The burgeoning field of brain health research increasingly leverages artificial intelligence (AI) to interpret and analyze neurological data. This study introduces a novel approach towards the creation of medical foundation models by integrating a large-scale multi-modal magnetic resonance imaging (MRI) dataset derived from 41,400 participants in its own. Our method involves a novel two-stage pretraining approach using vision transformers. The first stage is dedicated to encoding anatomical structures in generally healthy brains, identifying key features such as shapes and sizes of different brain regions. The second stage concentrates on spatial information, encompassing aspects like location and the relative positioning of brain structures. We rigorously evaluate our model, BrainFounder, using the Brain Tumor Segmentation (BraTS) challenge and Anatomical Tracings of Lesions After Stroke v2.0 (ATLAS v2.0) datasets. BrainFounder demonstrates a significant performance gain, surpassing the achievements of the previous winning solutions using fully supervised learning. Our findings underscore the impact of scaling up both the complexity of the model and the volume of unlabeled training data derived from generally healthy brains, which enhances the accuracy and predictive capabilities of the model in complex neuroimaging tasks with MRI. The implications of this research provide transformative insights and practical applications in healthcare and make substantial steps towards the creation of foundation models for Medical AI. Our pretrained models and training code can be found at https://github.com/lab-smile/GatorBrain.

Storytelling tasks involving generating consistent subjects have gained significant attention recently. However, existing methods, whether training-free or training-based, continue to face challenges in maintaining subject consistency due to the lack of fine-grained guidance and inter-frame interaction. Additionally, the scarcity of high-quality data in this field makes it difficult to precisely control storytelling tasks, including the subject's position, appearance, clothing, expression, and posture, thereby hindering further advancements. In this paper, we demonstrate that layout conditions, such as the subject's position and detailed attributes, effectively facilitate fine-grained interactions between frames. This not only strengthens the consistency of the generated frame sequence but also allows for precise control over the subject's position, appearance, and other key details. Building on this, we introduce an advanced storytelling task: Layout-Togglable Storytelling, which enables precise subject control by incorporating layout conditions. To address the lack of high-quality datasets with layout annotations for this task, we develop Lay2Story-1M, which contains over 1 million 720p and higher-resolution images, processed from approximately 11,300 hours of cartoon videos. Building on Lay2Story-1M, we create Lay2Story-Bench, a benchmark with 3,000 prompts designed to evaluate the performance of different methods on this task. Furthermore, we propose Lay2Story, a robust framework based on the Diffusion Transformers (DiTs) architecture for Layout-Togglable Storytelling tasks. Through both qualitative and quantitative experiments, we find that our method outperforms the previous state-of-the-art (SOTA) techniques, achieving the best results in terms of consistency, semantic correlation, and aesthetic quality.

Existing information on AI-based facial emotion recognition (FER) is not easily comprehensible by those outside the field of computer science, requiring cross-disciplinary effort to determine a categorisation framework that promotes the understanding of this technology, and its impact on users. Most proponents classify FER in terms of methodology, implementation and analysis; relatively few by its application in education; and none by its users. This paper is concerned primarily with (potential) teacher-users of FER tools for education. It proposes a three-part classification of these teachers, by orientation, condition and preference, based on a classical taxonomy of affective educational objectives, and related theories. It also compiles and organises the types of FER solutions found in or inferred from the literature into "technology" and "applications" categories, as a prerequisite for structuring the proposed "teacher-user" category. This work has implications for proponents', critics', and users' understanding of the relationship between teachers and FER.