Daily Papers

We investigate the extent to which an LLM's hidden-state geometry can be recovered from its behavior in psycholinguistic experiments. Across eight instruction-tuned transformer models, we run two experimental paradigms -- similarity-based forced choice and free association -- over a shared 5,000-word vocabulary, collecting 17.5M+ trials to build behavior-based similarity matrices. Using representational similarity analysis, we compare behavioral geometries to layerwise hidden-state similarity and benchmark against FastText, BERT, and cross-model consensus. We find that forced-choice behavior aligns substantially more with hidden-state geometry than free association. In a held-out-words regression, behavioral similarity (especially forced choice) predicts unseen hidden-state similarities beyond lexical baselines and cross-model consensus, indicating that behavior-only measurements retain recoverable information about internal semantic geometry. Finally, we discuss implications for the ability of behavioral tasks to uncover hidden cognitive states.

Large Language Models (LLMs) are increasingly deployed in mission-critical systems, facilitating tasks such as satellite operations, command-and-control, military decision support, and cyber defense. Many of these systems are accessed through application programming interfaces (APIs). When such APIs lack robust access controls, they can expose full or top-k logits, creating a significant and often overlooked attack surface. Prior art has mainly focused on reconstructing the output projection layer or distilling surface-level behaviors. However, regenerating a black-box model under tight query constraints remains underexplored. We address that gap by introducing a constrained replication pipeline that transforms partial logit leakage into a functional deployable substitute model clone. Our two-stage approach (i) reconstructs the output projection matrix by collecting top-k logits from under 10k black-box queries via singular value decomposition (SVD) over the logits, then (ii) distills the remaining architecture into compact student models with varying transformer depths, trained on an open source dataset. A 6-layer student recreates 97.6% of the 6-layer teacher model's hidden-state geometry, with only a 7.31% perplexity increase, and a 7.58 Negative Log-Likelihood (NLL). A 4-layer variant achieves 17.1% faster inference and 18.1% parameter reduction with comparable performance. The entire attack completes in under 24 graphics processing unit (GPU) hours and avoids triggering API rate-limit defenses. These results demonstrate how quickly a cost-limited adversary can clone an LLM, underscoring the urgent need for hardened inference APIs and secure on-premise defense deployments.

Large Language Models (LLMs) often produce fluent yet factually incorrect statements-a phenomenon known as hallucination-posing serious risks in high-stakes domains. We present Layer-wise Semantic Dynamics (LSD), a geometric framework for hallucination detection that analyzes the evolution of hidden-state semantics across transformer layers. Unlike prior methods that rely on multiple sampling passes or external verification sources, LSD operates intrinsically within the model's representational space. Using margin-based contrastive learning, LSD aligns hidden activations with ground-truth embeddings derived from a factual encoder, revealing a distinct separation in semantic trajectories: factual responses preserve stable alignment, while hallucinations exhibit pronounced semantic drift across depth. Evaluated on the TruthfulQA and synthetic factual-hallucination datasets, LSD achieves an F1-score of 0.92, AUROC of 0.96, and clustering accuracy of 0.89, outperforming SelfCheckGPT and Semantic Entropy baselines while requiring only a single forward pass. This efficiency yields a 5-20x speedup over sampling-based methods without sacrificing precision or interpretability. LSD offers a scalable, model-agnostic mechanism for real-time hallucination monitoring and provides new insights into the geometry of factual consistency within large language models.

This work investigates how large language models (LLMs) internally represent emotion by analyzing the geometry of their hidden-state space. The paper identifies a low-dimensional emotional manifold and shows that emotional representations are directionally encoded, distributed across layers, and aligned with interpretable dimensions. These structures are stable across depth and generalize to eight real-world emotion datasets spanning five languages. Cross-domain alignment yields low error and strong linear probe performance, indicating a universal emotional subspace. Within this space, internal emotion perception can be steered while preserving semantics using a learned intervention module, with especially strong control for basic emotions across languages. These findings reveal a consistent and manipulable affective geometry in LLMs and offer insight into how they internalize and process emotion.

Recent work suggests that large language models (LLMs) encode factuality signals in their internal representations, such as hidden states, attention weights, or token probabilities, implying that LLMs may "know what they don't know". However, LLMs can also produce factual errors by relying on shortcuts or spurious associations. These error are driven by the same training objective that encourage correct predictions, raising the question of whether internal computations can reliably distinguish between factual and hallucinated outputs. In this work, we conduct a mechanistic analysis of how LLMs internally process factual queries by comparing two types of hallucinations based on their reliance on subject information. We find that when hallucinations are associated with subject knowledge, LLMs employ the same internal recall process as for correct responses, leading to overlapping and indistinguishable hidden-state geometries. In contrast, hallucinations detached from subject knowledge produce distinct, clustered representations that make them detectable. These findings reveal a fundamental limitation: LLMs do not encode truthfulness in their internal states but only patterns of knowledge recall, demonstrating that "LLMs don't really know what they don't know".

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.

Assessing the quality of Large Language Model (LLM) outputs presents a critical challenge. Previous methods either rely on text-level information (e.g., reward models, majority voting), which can overfit to superficial cues, or on calibrated confidence from token probabilities, which would fail on less-calibrated models. Yet both of these signals are, in fact, partial projections of a richer source of information: the model's internal hidden states. Early layers, closer to token embeddings, preserve semantic and lexical features that underpin text-based judgments, while later layers increasingly align with output logits, embedding confidence-related information. This paper explores hidden states directly as a unified foundation for verification. We show that the correctness of a solution is encoded as a geometrically separable signature within the trajectory of hidden activations. To validate this, we present Clue (Clustering and Experience-based Verification), a deliberately minimalist, non-parametric verifier. With no trainable parameters, CLUE only summarizes each reasoning trace by an hidden state delta and classifies correctness via nearest-centroid distance to ``success'' and ``failure'' clusters formed from past experience. The simplicity of this method highlights the strength of the underlying signal. Empirically, CLUE consistently outperforms LLM-as-a-judge baselines and matches or exceeds modern confidence-based methods in reranking candidates, improving both top-1 and majority-vote accuracy across AIME 24/25 and GPQA. As a highlight, on AIME 24 with a 1.5B model, CLUE boosts accuracy from 56.7% (majority@64) to 70.0% (top-maj@16).

Fine-tuning Large Language Models (LLMs) remains structurally uncertain despite parameter-efficient methods such as Low-Rank Adaptation (LoRA), as the layer-specific roles of internal representations are poorly understood, leading to heuristic decisions about where adaptation should be applied. We model the evolution of hidden states as a high-dimensional geometric trajectory and propose using the Ramer-Douglas-Peucker (RDP) algorithm, a parameter-free and training-free polygon simplification method that preserves global structural transitions while eliminating locally redundant changes, to identify critical breakpoints along the representation path. Crucially, we use these geometric pivots not merely for analysis, but as a direct decision signal for determining which layers should be adapted during parameter-efficient fine-tuning. By integrating this geometry-aware layer selection strategy into LoRA fine-tuning of Qwen3-8B-Base, we achieve superior performance on MMLU-Math using only 13 RDP-selected layers (81.67%), significantly outperforming both full 36-layer adaptation (79.32%) and random 13-layer selection (75.56%), as well as the baseline Qwen3-8B-Base model (74.25%). These results demonstrate that leveraging the intrinsic geometry of representation trajectories provides a robust, interpretable, and training-free signal for optimizing layer selection during model adaptation.

This paper investigates whether large language models (LLMs) utilize numerical attributes encoded in a low-dimensional subspace of the embedding space when answering logical comparison questions (e.g., Was Cristiano born before Messi?). We first identified these subspaces using partial least squares regression, which effectively encodes the numerical attributes associated with the entities in comparison prompts. Further, we demonstrate causality by intervening in these subspaces to manipulate hidden states, thereby altering the LLM's comparison outcomes. Experimental results show that our findings hold for different numerical attributes, indicating that LLMs utilize the linearly encoded information for numerical reasoning.

Autoregressive language models rely on a Key-Value (KV) Cache, which avoids re-computing past hidden states during generation, making it faster. As model sizes and context lengths grow, the KV Cache becomes a significant memory bottleneck, which calls for compression methods that limit its size during generation. In this paper, we discover surprising properties of Query (Q) and Key (K) vectors that allow us to efficiently approximate attention scores without computing the attention maps. We propose Q-Filters, a training-free KV Cache compression method that filters out less crucial Key-Value pairs based on a single context-agnostic projection. Contrarily to many alternatives, Q-Filters is compatible with FlashAttention, as it does not require direct access to attention weights. Experimental results in long-context settings demonstrate that Q-Filters is competitive with attention-based compression methods such as SnapKV in retrieval tasks while consistently outperforming efficient compression schemes such as Streaming-LLM in generation setups. Notably, Q-Filters achieves a 99% accuracy in the needle-in-a-haystack task with a x32 compression level while reducing the generation perplexity drop by up to 65% in text generation compared to Streaming-LLM.

Recent advances in 3D generation have improved the fidelity and geometric details of synthesized 3D assets. However, due to the inherent ambiguity of single-view observations and the lack of robust global structural priors caused by limited 3D training data, the unseen regions generated by existing models are often stochastic and difficult to control, which may sometimes fail to align with user intentions or produce implausible geometries. In this paper, we propose Know3D, a novel framework that incorporates rich knowledge from multimodal large language models into 3D generative processes via latent hidden-state injection, enabling language-controllable generation of the back-view for 3D assets. We utilize a VLM-diffusion-based model, where the VLM is responsible for semantic understanding and guidance. The diffusion model acts as a bridge that transfers semantic knowledge from the VLM to the 3D generation model. In this way, we successfully bridge the gap between abstract textual instructions and the geometric reconstruction of unobserved regions, transforming the traditionally stochastic back-view hallucination into a semantically controllable process, demonstrating a promising direction for future 3D generation models.

Deep sequence models are said to store atomic facts predominantly in the form of associative memory: a brute-force lookup of co-occurring entities. We identify a dramatically different form of storage of atomic facts that we term as geometric memory. Here, the model has synthesized embeddings encoding novel global relationships between all entities, including ones that do not co-occur in training. Such storage is powerful: for instance, we show how it transforms a hard reasoning task involving an ell-fold composition into an easy-to-learn 1-step navigation task. From this phenomenon, we extract fundamental aspects of neural embedding geometries that are hard to explain. We argue that the rise of such a geometry, as against a lookup of local associations, cannot be straightforwardly attributed to typical supervisory, architectural, or optimizational pressures. Counterintuitively, a geometry is learned even when it is more complex than the brute-force lookup. Then, by analyzing a connection to Node2Vec, we demonstrate how the geometry stems from a spectral bias that -- in contrast to prevailing theories -- indeed arises naturally despite the lack of various pressures. This analysis also points out to practitioners a visible headroom to make Transformer memory more strongly geometric. We hope the geometric view of parametric memory encourages revisiting the default intuitions that guide researchers in areas like knowledge acquisition, capacity, discovery, and unlearning.

In machine learning, there is a long history of trying to build neural networks that can learn from fewer example data by baking in strong geometric priors. However, it is not always clear a priori what geometric constraints are appropriate for a given task. Here, we explore the possibility that one can uncover useful geometric inductive biases by studying how training molds the Riemannian geometry induced by unconstrained neural network feature maps. We first show that at infinite width, neural networks with random parameters induce highly symmetric metrics on input space. This symmetry is broken by feature learning: networks trained to perform classification tasks learn to magnify local areas along decision boundaries. This holds in deep networks trained on high-dimensional image classification tasks, and even in self-supervised representation learning. These results begin to elucidate how training shapes the geometry induced by unconstrained neural network feature maps, laying the groundwork for an understanding of this richly nonlinear form of feature learning.

Transformer-based models generate hidden states that are difficult to interpret. In this work, we analyze hidden states and modify them at inference, with a focus on motion forecasting. We use linear probing to analyze whether interpretable features are embedded in hidden states. Our experiments reveal high probing accuracy, indicating latent space regularities with functionally important directions. Building on this, we use the directions between hidden states with opposing features to fit control vectors. At inference, we add our control vectors to hidden states and evaluate their impact on predictions. Remarkably, such modifications preserve the feasibility of predictions. We further refine our control vectors using sparse autoencoders (SAEs). This leads to more linear changes in predictions when scaling control vectors. Our approach enables mechanistic interpretation as well as zero-shot generalization to unseen dataset characteristics with negligible computational overhead.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

We develop a differential-geometric framework for variational quantum circuits in which noisy single- and multi-qubit parameter spaces are modeled by weighted projective lines (WPLs). Starting from the pure-state Bloch sphere CP1, we show that realistic hardware noise induces anisotropic contractions of the Bloch ball that can be represented by a pair of physically interpretable parameters (lambda_perp, lambda_parallel). These parameters determine a unique WPL metric g_WPL(a_over_b, b) whose scalar curvature is R = 2 / b^2, yielding a compact and channel-resolved geometric surrogate for the intrinsic information structure of noisy quantum circuits. We develop a tomography-to-geometry pipeline that extracts (lambda_perp, lambda_parallel) from hardware data and maps them to the WPL parameters (a_over_b, b, R). Experiments on IBM Quantum backends show that the resulting WPL geometries accurately capture anisotropic curvature deformation across calibration periods. Finally, we demonstrate that WPL-informed quantum natural gradients (WPL-QNG) provide stable optimization dynamics for noisy variational quantum eigensolvers and enable curvature-aware mitigation of barren plateaus.

Generalization, the ability to perform well beyond the training context, is a hallmark of biological and artificial intelligence, yet anticipating unseen failures remains a central challenge. Conventional approaches often take a ``bottom-up'' mechanistic route by reverse-engineering interpretable features or circuits to build explanatory models. While insightful, these methods often struggle to provide the high-level, predictive signals for anticipating failure in real-world deployment. Here, we propose using a ``top-down'' approach to studying generalization failures inspired by medical biomarkers: identifying system-level measurements that serve as robust indicators of a model's future performance. Rather than mapping out detailed internal mechanisms, we systematically design and test network markers to probe structure, function links, identify prognostic indicators, and validate predictions in real-world settings. In image classification, we find that task-relevant geometric properties of in-distribution (ID) object manifolds consistently forecast poor out-of-distribution (OOD) generalization. In particular, reductions in two geometric measures, effective manifold dimensionality and utility, predict weaker OOD performance across diverse architectures, optimizers, and datasets. We apply this finding to transfer learning with ImageNet-pretrained models. We consistently find that the same geometric patterns predict OOD transfer performance more reliably than ID accuracy. This work demonstrates that representational geometry can expose hidden vulnerabilities, offering more robust guidance for model selection and AI interpretability.

The quantum geometric tensor (QGT) is a fundamental quantity for characterizing the geometric properties of quantum states and plays an essential role in elucidating various physical phenomena. The traditional QGT, defined only for pure states, has limited applicability in realistic scenarios where mixed states are common. To address this limitation, we generalize the definition of the QGT to mixed states using the purification bundle and the covariant derivative. Notably, our proposed definition reduces to the traditional QGT when mixed states approach pure states. In our framework, the real and imaginary parts of this generalized QGT correspond to the Bures metric and the mean gauge curvature, respectively, endowing it with a broad range of potential applications. Additionally, using our proposed mixed-state QGT (MSQGT), we derive the geodesic equation applicable to mixed states. This work establishes a unified framework for the geometric analysis of both pure and mixed states, thereby deepening our understanding of the geometric properties of quantum states.

We attempt to reveal the geometry, emerged from the entanglement structure of any general N-party pure quantum many-body state by representing entanglement entropies corresponding to all 2^N bipartitions of the state by means of a generalized adjacency matrix. We show this representation is often exact and may lead to a geometry very different than suggested by the Hamiltonian. Moreover, in all the cases, it yields a natural entanglement contour, similar to previous proposals. The formalism is extended for conformal invariant systems, and a more insightful interpretation of entanglement is presented as a flow among different parts of the system.

We introduce methods for obtaining pretrained Geometric Neural Operators (GNPs) that can serve as basal foundation models for use in obtaining geometric features. These can be used within data processing pipelines for machine learning tasks and numerical methods. We show how our GNPs can be trained to learn robust latent representations for the differential geometry of point-clouds to provide estimates of metric, curvature, and other shape-related features. We demonstrate how our pre-trained GNPs can be used (i) to estimate the geometric properties of surfaces of arbitrary shape and topologies with robustness in the presence of noise, (ii) to approximate solutions of geometric partial differential equations (PDEs) on manifolds, and (iii) to solve equations for shape deformations such as curvature driven flows. We release codes and weights for using GNPs in the package geo_neural_op. This allows for incorporating our pre-trained GNPs as components for reuse within existing and new data processing pipelines. The GNPs also can be used as part of numerical solvers involving geometry or as part of methods for performing inference and other geometric tasks.

As the field of representation learning grows, there has been a proliferation of different loss functions to solve different classes of problems. We introduce a single information-theoretic equation that generalizes a large collection of modern loss functions in machine learning. In particular, we introduce a framework that shows that several broad classes of machine learning methods are precisely minimizing an integrated KL divergence between two conditional distributions: the supervisory and learned representations. This viewpoint exposes a hidden information geometry underlying clustering, spectral methods, dimensionality reduction, contrastive learning, and supervised learning. This framework enables the development of new loss functions by combining successful techniques from across the literature. We not only present a wide array of proofs, connecting over 23 different approaches, but we also leverage these theoretical results to create state-of-the-art unsupervised image classifiers that achieve a +8% improvement over the prior state-of-the-art on unsupervised classification on ImageNet-1K. We also demonstrate that I-Con can be used to derive principled debiasing methods which improve contrastive representation learners.

We introduce Geometric Neural Operators (GNPs) for accounting for geometric contributions in data-driven deep learning of operators. We show how GNPs can be used (i) to estimate geometric properties, such as the metric and curvatures, (ii) to approximate Partial Differential Equations (PDEs) on manifolds, (iii) learn solution maps for Laplace-Beltrami (LB) operators, and (iv) to solve Bayesian inverse problems for identifying manifold shapes. The methods allow for handling geometries of general shape including point-cloud representations. The developed GNPs provide approaches for incorporating the roles of geometry in data-driven learning of operators.

This paper concerns the question of how AI systems encode semantic structure into the geometric structure of their representation spaces. The motivating observation of this paper is that the natural geometry of these representation spaces should reflect the way models use representations to produce behavior. We focus on the important special case of representations that define softmax distributions. In this case, we argue that the natural geometry is information geometry. Our focus is on the role of information geometry on semantic encoding and the linear representation hypothesis. As an illustrative application, we develop "dual steering", a method for robustly steering representations to exhibit a particular concept using linear probes. We prove that dual steering optimally modifies the target concept while minimizing changes to off-target concepts. Empirically, we find that dual steering enhances the controllability and stability of concept manipulation.

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.

World models serve as essential building blocks toward Artificial General Intelligence (AGI), enabling intelligent agents to predict future states and plan actions by simulating complex physical interactions. However, existing interactive models primarily predict visual observations, thereby neglecting crucial hidden states like geometric structures and spatial coherence. This leads to rapid error accumulation and temporal inconsistency. To address these limitations, we introduce DeepVerse, a novel 4D interactive world model explicitly incorporating geometric predictions from previous timesteps into current predictions conditioned on actions. Experiments demonstrate that by incorporating explicit geometric constraints, DeepVerse captures richer spatio-temporal relationships and underlying physical dynamics. This capability significantly reduces drift and enhances temporal consistency, enabling the model to reliably generate extended future sequences and achieve substantial improvements in prediction accuracy, visual realism, and scene rationality. Furthermore, our method provides an effective solution for geometry-aware memory retrieval, effectively preserving long-term spatial consistency. We validate the effectiveness of DeepVerse across diverse scenarios, establishing its capacity for high-fidelity, long-horizon predictions grounded in geometry-aware dynamics.

Active inference is a first principles approach for understanding the brain in particular, and sentient agents in general, with the single imperative of minimizing free energy. As such, it provides a computational account for modelling artificial intelligent agents, by defining the agent's generative model and inferring the model parameters, actions and hidden state beliefs. However, the exact specification of the generative model and the hidden state space structure is left to the experimenter, whose design choices influence the resulting behaviour of the agent. Recently, deep learning methods have been proposed to learn a hidden state space structure purely from data, alleviating the experimenter from this tedious design task, but resulting in an entangled, non-interpreteable state space. In this paper, we hypothesize that such a learnt, entangled state space does not necessarily yield the best model in terms of free energy, and that enforcing different factors in the state space can yield a lower model complexity. In particular, we consider the problem of 3D object representation, and focus on different instances of the ShapeNet dataset. We propose a model that factorizes object shape, pose and category, while still learning a representation for each factor using a deep neural network. We show that models, with best disentanglement properties, perform best when adopted by an active agent in reaching preferred observations.

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

We study the emergence of multi-step reasoning in deep Transformer language models through a geometric and statistical-physics lens. Treating the hidden-state trajectory as a flow on an implicit Riemannian manifold, we analyze the layerwise covariance spectrum of activations, where C^{(ell)}=E[h^{(ell)}h^{(ell)top}], and track deviations from a random-matrix bulk. Across model scales (1.5B--30B), we observe a sharp reduction in effective dimensionality consistent with a phase transition: an order parameter based on sparsity/localization, Ω(h)=1-|h|_1/(d|h|_2), exhibits a discontinuity near a critical normalized depth γ_capprox 0.42 in sufficiently large models. We formalize the forward pass as a discrete coarse-graining map and relate the appearance of stable "concept basins" to fixed points of this renormalization-like dynamics. The resulting low-entropy regime is characterized by a spectral tail collapse and by the formation of transient, reusable object-like structures in representation space, which we call Transient Class Objects (TCOs). We provide theoretical conditions connecting logical separability to spectral decay and validate the predicted signatures with layerwise probes on multiple open-weight model families.

Vision-Language Models (VLMs) frequently "hallucinate" - generate plausible yet factually incorrect statements - posing a critical barrier to their trustworthy deployment. In this work, we propose a new paradigm for diagnosing hallucinations, recasting them from static output errors into dynamic pathologies of a model's computational cognition. Our framework is grounded in a normative principle of computational rationality, allowing us to model a VLM's generation as a dynamic cognitive trajectory. We design a suite of information-theoretic probes that project this trajectory onto an interpretable, low-dimensional Cognitive State Space. Our central discovery is a governing principle we term the geometric-information duality: a cognitive trajectory's geometric abnormality within this space is fundamentally equivalent to its high information-theoretic surprisal. Hallucination detection is counts as a geometric anomaly detection problem. Evaluated across diverse settings - from rigorous binary QA (POPE) and comprehensive reasoning (MME) to unconstrained open-ended captioning (MS-COCO) - our framework achieves state-of-the-art performance. Crucially, it operates with high efficiency under weak supervision and remains highly robust even when calibration data is heavily contaminated. This approach enables a causal attribution of failures, mapping observable errors to distinct pathological states: perceptual instability (measured by Perceptual Entropy), logical-causal failure (measured by Inferential Conflict), and decisional ambiguity (measured by Decision Entropy). Ultimately, this opens a path toward building AI systems whose reasoning is transparent, auditable, and diagnosable by design.

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep generative models. A key issue with these models is their tendency to output samples outside of the support of the target distribution when learning disconnected distributions. We investigate the relationship between the performance of these models and the geometry of their latent space. Building on recent developments in geometric measure theory, we prove a sufficient condition for optimality in the case where the dimension of the latent space is larger than the number of modes. Through experiments on GANs, we demonstrate the validity of our theoretical results and gain new insights into the latent space geometry of these models. Additionally, we propose a truncation method that enforces a simplicial cluster structure in the latent space and improves the performance of GANs.

3D-aware GANs aim to synthesize realistic 3D scenes such that they can be rendered in arbitrary perspectives to produce images. Although previous methods produce realistic images, they suffer from unstable training or degenerate solutions where the 3D geometry is unnatural. We hypothesize that the 3D geometry is underdetermined due to the insufficient constraint, i.e., being classified as real image to the discriminator is not enough. To solve this problem, we propose to approximate the background as a spherical surface and represent a scene as a union of the foreground placed in the sphere and the thin spherical background. It reduces the degree of freedom in the background field. Accordingly, we modify the volume rendering equation and incorporate dedicated constraints to design a novel 3D-aware GAN framework named BallGAN. BallGAN has multiple advantages as follows. 1) It produces more reasonable 3D geometry; the images of a scene across different viewpoints have better photometric consistency and fidelity than the state-of-the-art methods. 2) The training becomes much more stable. 3) The foreground can be separately rendered on top of different arbitrary backgrounds.

In this paper we demonstrate how sub-Riemannian geometry can be used for manifold learning and surface reconstruction by combining local linear approximations of a point cloud to obtain lower dimensional bundles. Local approximations obtained by local PCAs are collected into a rank k tangent subbundle on R^d, k<d, which we call a principal subbundle. This determines a sub-Riemannian metric on R^d. We show that sub-Riemannian geodesics with respect to this metric can successfully be applied to a number of important problems, such as: explicit construction of an approximating submanifold M, construction of a representation of the point-cloud in R^k, and computation of distances between observations, taking the learned geometry into account. The reconstruction is guaranteed to equal the true submanifold in the limit case where tangent spaces are estimated exactly. Via simulations, we show that the framework is robust when applied to noisy data. Furthermore, the framework generalizes to observations on an a priori known Riemannian manifold.

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piece-wise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

We propose a Geometry-aware Policy Imitation (GPI) approach that rethinks imitation learning by treating demonstrations as geometric curves rather than collections of state-action samples. From these curves, GPI derives distance fields that give rise to two complementary control primitives: a progression flow that advances along expert trajectories and an attraction flow that corrects deviations. Their combination defines a controllable, non-parametric vector field that directly guides robot behavior. This formulation decouples metric learning from policy synthesis, enabling modular adaptation across low-dimensional robot states and high-dimensional perceptual inputs. GPI naturally supports multimodality by preserving distinct demonstrations as separate models and allows efficient composition of new demonstrations through simple additions to the distance field. We evaluate GPI in simulation and on real robots across diverse tasks. Experiments show that GPI achieves higher success rates than diffusion-based policies while running 20 times faster, requiring less memory, and remaining robust to perturbations. These results establish GPI as an efficient, interpretable, and scalable alternative to generative approaches for robotic imitation learning. Project website: https://yimingli1998.github.io/projects/GPI/

Recent advances in large language models (LLMs) have demonstrated remarkable capabilities across diverse domains, particularly in mathematical reasoning, amid which geometry problem solving remains a challenging area where auxiliary construction plays a enssential role. Existing approaches either achieve suboptimal performance or rely on massive LLMs (e.g., GPT-4o), incurring massive computational costs. We posit that reinforcement learning with verifiable reward (e.g., GRPO) offers a promising direction for training smaller models that effectively combine auxiliary construction with robust geometric reasoning. However, directly applying GRPO to geometric reasoning presents fundamental limitations due to its dependence on unconditional rewards, which leads to indiscriminate and counterproductive auxiliary constructions. To address these challenges, we propose Group Contrastive Policy Optimization (GCPO), a novel reinforcement learning framework featuring two key innovations: (1) Group Contrastive Masking, which adaptively provides positive or negative reward signals for auxiliary construction based on contextual utility, and a (2) length reward that promotes longer reasoning chains. Building on GCPO, we develop GeometryZero, a family of affordable-size geometric reasoning models that judiciously determine when to employ auxiliary construction. Our extensive empirical evaluation across popular geometric benchmarks (Geometry3K, MathVista) demonstrates that GeometryZero models consistently outperform baselines (e.g. GRPO), achieving an average improvement of 4.29% across all benchmarks.

Energy-based predictive world models provide a powerful approach for multi-step visual planning by reasoning over latent energy landscapes rather than generating pixels. However, existing approaches face two major challenges: (i) their latent representations are typically learned in Euclidean space, neglecting the underlying geometric and hierarchical structure among states, and (ii) they struggle with long-horizon prediction, which leads to rapid degradation across extended rollouts. To address these challenges, we introduce GeoWorld, a geometric world model that preserves geometric structure and hierarchical relations through a Hyperbolic JEPA, which maps latent representations from Euclidean space onto hyperbolic manifolds. We further introduce Geometric Reinforcement Learning for energy-based optimization, enabling stable multi-step planning in hyperbolic latent space. Extensive experiments on CrossTask and COIN demonstrate around 3% SR improvement in 3-step planning and 2% SR improvement in 4-step planning compared to the state-of-the-art V-JEPA 2. Project website: https://steve-zeyu-zhang.github.io/GeoWorld.

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in Euclidean space, such as biomolecules, materials, and other physical systems. In this work, we propose a geometric version of the WL test (GWL) for discriminating geometric graphs while respecting the underlying physical symmetries: permutations, rotation, reflection, and translation. We use GWL to characterise the expressive power of geometric GNNs that are invariant or equivariant to physical symmetries in terms of distinguishing geometric graphs. GWL unpacks how key design choices influence geometric GNN expressivity: (1) Invariant layers have limited expressivity as they cannot distinguish one-hop identical geometric graphs; (2) Equivariant layers distinguish a larger class of graphs by propagating geometric information beyond local neighbourhoods; (3) Higher order tensors and scalarisation enable maximally powerful geometric GNNs; and (4) GWL's discrimination-based perspective is equivalent to universal approximation. Synthetic experiments supplementing our results are available at https://github.com/chaitjo/geometric-gnn-dojo

Exploration is essential for solving complex Reinforcement Learning (RL) tasks. Maximum State-Visitation Entropy (MSVE) formulates the exploration problem as a well-defined policy optimization problem whose solution aims at visiting all states as uniformly as possible. This is in contrast to standard uncertainty-based approaches where exploration is transient and eventually vanishes. However, existing approaches to MSVE are theoretically justified only for discrete state-spaces as they are oblivious to the geometry of continuous domains. We address this challenge by introducing Geometric Entropy Maximisation (GEM), a new algorithm that maximises the geometry-aware Shannon entropy of state-visits in both discrete and continuous domains. Our key theoretical contribution is casting geometry-aware MSVE exploration as a tractable problem of optimising a simple and novel noise-contrastive objective function. In our experiments, we show the efficiency of GEM in solving several RL problems with sparse rewards, compared against other deep RL exploration approaches.

Deep neural networks are prone to adversarial examples that maliciously alter the network's outcome. Due to the increasing popularity of 3D sensors in safety-critical systems and the vast deployment of deep learning models for 3D point sets, there is a growing interest in adversarial attacks and defenses for such models. So far, the research has focused on the semantic level, namely, deep point cloud classifiers. However, point clouds are also widely used in a geometric-related form that includes encoding and reconstructing the geometry. In this work, we are the first to consider the problem of adversarial examples at a geometric level. In this setting, the question is how to craft a small change to a clean source point cloud that leads, after passing through an autoencoder model, to the reconstruction of a different target shape. Our attack is in sharp contrast to existing semantic attacks on 3D point clouds. While such works aim to modify the predicted label by a classifier, we alter the entire reconstructed geometry. Additionally, we demonstrate the robustness of our attack in the case of defense, where we show that remnant characteristics of the target shape are still present at the output after applying the defense to the adversarial input. Our code is publicly available at https://github.com/itailang/geometric_adv.

The field of neuroscience and the development of artificial neural networks (ANNs) have mutually influenced each other, drawing from and contributing to many concepts initially developed in statistical mechanics. Notably, Hopfield networks and Boltzmann machines are versions of the Ising model, a model extensively studied in statistical mechanics for over a century. In the first part of this chapter, we provide an overview of the principles, models, and applications of ANNs, highlighting their connections to statistical mechanics and statistical learning theory. Artificial neural networks can be seen as high-dimensional mathematical functions, and understanding the geometric properties of their loss landscapes (i.e., the high-dimensional space on which one wishes to find extrema or saddles) can provide valuable insights into their optimization behavior, generalization abilities, and overall performance. Visualizing these functions can help us design better optimization methods and improve their generalization abilities. Thus, the second part of this chapter focuses on quantifying geometric properties and visualizing loss functions associated with deep ANNs.

Problems involving geometric data arise in a variety of fields, including computer vision, robotics, chemistry, and physics. Such data can take numerous forms, such as points, direction vectors, planes, or transformations, but to date there is no single architecture that can be applied to such a wide variety of geometric types while respecting their symmetries. In this paper we introduce the Geometric Algebra Transformer (GATr), a general-purpose architecture for geometric data. GATr represents inputs, outputs, and hidden states in the projective geometric algebra, which offers an efficient 16-dimensional vector space representation of common geometric objects as well as operators acting on them. GATr is equivariant with respect to E(3), the symmetry group of 3D Euclidean space. As a transformer, GATr is scalable, expressive, and versatile. In experiments with n-body modeling and robotic planning, GATr shows strong improvements over non-geometric baselines.

Estimating the pose of an object from a monocular image is an inverse problem fundamental in computer vision. The ill-posed nature of this problem requires incorporating deformation priors to solve it. In practice, many materials do not perceptibly shrink or extend when manipulated, constituting a powerful and well-known prior. Mathematically, this translates to the preservation of the Riemannian metric. Neural networks offer the perfect playground to solve the surface reconstruction problem as they can approximate surfaces with arbitrary precision and allow the computation of differential geometry quantities. This paper presents an approach to inferring continuous deformable surfaces from a sequence of images, which is benchmarked against several techniques and obtains state-of-the-art performance without the need for offline training.

Much of the success of deep learning is drawn from building architectures that properly respect underlying symmetry and structure in the data on which they operate - a set of considerations that have been united under the banner of geometric deep learning. Often problems in the physical sciences deal with relatively small sets of points in two- or three-dimensional space wherein translation, rotation, and permutation equivariance are important or even vital for models to be useful in practice. In this work, we present rotation- and permutation-equivariant architectures for deep learning on these small point clouds, composed of a set of products of terms from the geometric algebra and reductions over those products using an attention mechanism. The geometric algebra provides valuable mathematical structure by which to combine vector, scalar, and other types of geometric inputs in a systematic way to account for rotation invariance or covariance, while attention yields a powerful way to impose permutation equivariance. We demonstrate the usefulness of these architectures by training models to solve sample problems relevant to physics, chemistry, and biology.

We propose Geometric Clifford Algebra Networks (GCANs) for modeling dynamical systems. GCANs are based on symmetry group transformations using geometric (Clifford) algebras. We first review the quintessence of modern (plane-based) geometric algebra, which builds on isometries encoded as elements of the Pin(p,q,r) group. We then propose the concept of group action layers, which linearly combine object transformations using pre-specified group actions. Together with a new activation and normalization scheme, these layers serve as adjustable geometric templates that can be refined via gradient descent. Theoretical advantages are strongly reflected in the modeling of three-dimensional rigid body transformations as well as large-scale fluid dynamics simulations, showing significantly improved performance over traditional methods.

For the deployment of neural networks in resource-constrained environments, prior works have built lightweight architectures with convolution and attention for capturing local and global dependencies, respectively. Recently, the state space model has emerged as an effective global token interaction with its favorable linear computational cost in the number of tokens. Yet, efficient vision backbones built with SSM have been explored less. In this paper, we introduce Efficient Vision Mamba (EfficientViM), a novel architecture built on hidden state mixer-based state space duality (HSM-SSD) that efficiently captures global dependencies with further reduced computational cost. In the HSM-SSD layer, we redesign the previous SSD layer to enable the channel mixing operation within hidden states. Additionally, we propose multi-stage hidden state fusion to further reinforce the representation power of hidden states, and provide the design alleviating the bottleneck caused by the memory-bound operations. As a result, the EfficientViM family achieves a new state-of-the-art speed-accuracy trade-off on ImageNet-1k, offering up to a 0.7% performance improvement over the second-best model SHViT with faster speed. Further, we observe significant improvements in throughput and accuracy compared to prior works, when scaling images or employing distillation training. Code is available at https://github.com/mlvlab/EfficientViM.

Existing RGB-based imitation learning approaches typically employ traditional vision encoders such as ResNet or ViT, which lack explicit 3D reasoning capabilities. Recent geometry-grounded vision models, such as VGGT~wang2025vggt, provide robust spatial understanding and are promising candidates to address this limitation. This work investigates the integration of geometry-aware visual representations into robotic manipulation. Our results suggest that incorporating the geometry-aware vision encoder into imitation learning frameworks, including ACT and DP, yields up to 6.5% improvement over standard vision encoders in success rate across single- and bi-manual manipulation tasks in both simulation and real-world settings. Despite these benefits, most geometry-grounded models require high computational cost, limiting their deployment in practical robotic systems. To address this challenge, we propose eVGGT, an efficient geometry-aware encoder distilled from VGGT. eVGGT is nearly 9 times faster and 5 times smaller than VGGT, while preserving strong 3D reasoning capabilities. Code and pretrained models will be released to facilitate further research in geometry-aware robotics.

With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference

We review some recent applications of machine learning to algebraic geometry and physics. Since problems in algebraic geometry can typically be reformulated as mappings between tensors, this makes them particularly amenable to supervised learning. Additionally, unsupervised methods can provide insight into the structure of such geometrical data. At the heart of this programme is the question of how geometry can be machine learned, and indeed how AI helps one to do mathematics. This is a chapter contribution to the book Machine learning and Algebraic Geometry, edited by A. Kasprzyk et al.

Auxiliary lines are essential for solving complex geometric problems but remain challenging for large vision-language models (LVLMs). Recent attempts construct auxiliary lines via code-driven rendering, a strategy that relies on accurate and executable code generation to produce visual renderings of the auxiliary lines for subsequent reasoning. However, in complex solid geometry settings, such a strong dependence on precise specifications substantially restricts the robustness of this strategy. Alternatively, we turn to a simpler and more stable solution, representing auxiliary-line constructions as structured textual descriptions. To bridge the gap between textual descriptions and spatial structure, we propose a reinforcement learning framework that enhances diagram-text alignment. The core is a cross-modal reward model that evaluates how well the generated auxiliary-line description matches the ground-truth auxiliary-line diagram. The reward signal drives a GRPO-based RL stage to yield informative auxiliary-line descriptions for the reasoning. To support the training and evaluation, we develop a scalable data pipeline and construct AuxSolidMath, a dataset of 3,018 real-exam geometry problems with paired diagrams and aligned textual fields. Based on this framework, we derive GeoVLMath, an LVLM for solving complex solid geometry.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

Structured state-space models (SSMs) such as S4, stemming from the seminal work of Gu et al., are gaining popularity as effective approaches for modeling sequential data. Deep SSMs demonstrate outstanding performance across a diverse set of domains, at a reduced training and inference cost compared to attention-based transformers. Recent developments show that if the linear recurrence powering SSMs allows for multiplicative interactions between inputs and hidden states (e.g. GateLoop, Mamba, GLA), then the resulting architecture can surpass in both in accuracy and efficiency attention-powered foundation models trained on text, at scales of billion parameters. In this paper, we give theoretical grounding to this recent finding using tools from Rough Path Theory: we show that when random linear recurrences are equipped with simple input-controlled transitions (selectivity mechanism), then the hidden state is provably a low-dimensional projection of a powerful mathematical object called the signature of the input -- capturing non-linear interactions between tokens at distinct timescales. Our theory not only motivates the success of modern selective state-space models such as Mamba but also provides a solid framework to understand the expressive power of future SSM variants.

We develop data-driven methods incorporating geometric and topological information to learn parsimonious representations of nonlinear dynamics from observations. The approaches learn nonlinear state-space models of the dynamics for general manifold latent spaces using training strategies related to Variational Autoencoders (VAEs). Our methods are referred to as Geometric Dynamic (GD) Variational Autoencoders (GD-VAEs). We learn encoders and decoders for the system states and evolution based on deep neural network architectures that include general Multilayer Perceptrons (MLPs), Convolutional Neural Networks (CNNs), and other architectures. Motivated by problems arising in parameterized PDEs and physics, we investigate the performance of our methods on tasks for learning reduced dimensional representations of the nonlinear Burgers Equations, Constrained Mechanical Systems, and spatial fields of Reaction-Diffusion Systems. GD-VAEs provide methods that can be used to obtain representations in manifold latent spaces for diverse learning tasks involving dynamics.

Despite recent advances in multimodal reasoning, representing auxiliary geometric constructions remains a fundamental challenge for multimodal large language models (MLLMs). Such constructions are absent from the original diagram and must be introduced before theorems apply. Existing approaches predominantly rely on explicit construction paradigms, including text-based geometric specification, visual-token interleaving during reasoning, and tool-augmented geometric execution. However, these methods either fail to faithfully represent complex spatial relationships, incur representation mismatch between discrete symbols and continuous geometric structures, or rely on external capabilities that hinder end-to-end optimization. To address these limitations, we propose LatentGeo, a framework that learns continuous latent visual representations to internalize auxiliary geometric constructions without pixel-level rendering or external executors. We design a three-stage curriculum that progressively aligns and internalizes these latent representations through auxiliary visual supervision, followed by LaGDPO, a latent-aware reinforcement learning procedure that stabilizes latent representations during policy optimization while improving end-task correctness. To systematically evaluate construction-centric representation quality, we introduce GeoAux, a new benchmark targeting visually dependent geometry problems, and conduct experiments on GeoAux and MathVerse. Results show that LatentGeo achieves substantial gains on geometric reasoning tasks, particularly those requiring auxiliary constructions. Extensive analyses and ablation studies further validate the effectiveness of each component in our framework.

In this paper we show that visual diffusion models can serve as effective geometric solvers: they can directly reason about geometric problems by working in pixel space. We first demonstrate this on the Inscribed Square Problem, a long-standing problem in geometry that asks whether every Jordan curve contains four points forming a square. We then extend the approach to two other well-known hard geometric problems: the Steiner Tree Problem and the Simple Polygon Problem. Our method treats each problem instance as an image and trains a standard visual diffusion model that transforms Gaussian noise into an image representing a valid approximate solution that closely matches the exact one. The model learns to transform noisy geometric structures into correct configurations, effectively recasting geometric reasoning as image generation. Unlike prior work that necessitates specialized architectures and domain-specific adaptations when applying diffusion to parametric geometric representations, we employ a standard visual diffusion model that operates on the visual representation of the problem. This simplicity highlights a surprising bridge between generative modeling and geometric problem solving. Beyond the specific problems studied here, our results point toward a broader paradigm: operating in image space provides a general and practical framework for approximating notoriously hard problems, and opens the door to tackling a far wider class of challenging geometric tasks.

Neural representations of 3D data have been widely adopted across various applications, particularly in recent work leveraging coordinate-based networks to model scalar or vector fields. However, these approaches face inherent challenges, such as handling thin structures and non-watertight geometries, which limit their flexibility and accuracy. In contrast, we propose a novel geometric data representation that models geometry as distributions-a powerful representation that makes no assumptions about surface genus, connectivity, or boundary conditions. Our approach uses diffusion models with a novel network architecture to learn surface point distributions, capturing fine-grained geometric details. We evaluate our representation qualitatively and quantitatively across various object types, demonstrating its effectiveness in achieving high geometric fidelity. Additionally, we explore applications using our representation, such as textured mesh representation, neural surface compression, dynamic object modeling, and rendering, highlighting its potential to advance 3D geometric learning.

We present a neural architecture that takes as input a 2D or 3D shape and outputs a program that generates the shape. The instructions in our program are based on constructive solid geometry principles, i.e., a set of boolean operations on shape primitives defined recursively. Bottom-up techniques for this shape parsing task rely on primitive detection and are inherently slow since the search space over possible primitive combinations is large. In contrast, our model uses a recurrent neural network that parses the input shape in a top-down manner, which is significantly faster and yields a compact and easy-to-interpret sequence of modeling instructions. Our model is also more effective as a shape detector compared to existing state-of-the-art detection techniques. We finally demonstrate that our network can be trained on novel datasets without ground-truth program annotations through policy gradient techniques.

Geometry-aware optimization algorithms, such as Muon, have achieved remarkable success in training deep neural networks (DNNs). These methods leverage the underlying geometry of DNNs by selecting appropriate norms for different layers and updating parameters via norm-constrained linear minimization oracles (LMOs). However, even within a group of layers associated with the same norm, the local curvature can be heterogeneous across layers and vary dynamically over the course of training. For example, recent work shows that sharpness varies substantially across transformer layers and throughout training, yet standard geometry-aware optimizers impose fixed learning rates to layers within the same group, which may be inefficient for DNN training. In this paper, we introduce a noise-adaptive layerwise learning rate scheme on top of geometry-aware optimization algorithms and substantially accelerate DNN training compared to methods that use fixed learning rates within each group. Our method estimates gradient variance in the dual norm induced by the chosen LMO on the fly, and uses it to assign time-varying noise-adaptive layerwise learning rates within each group. We provide a theoretical analysis showing that our algorithm achieves a sharp convergence rate. Empirical results on transformer architectures such as LLaMA and GPT demonstrate that our approach achieves faster convergence than state-of-the-art optimizers.

State space models (SSM) have been widely applied for the analysis and visualization of large sequential datasets. Sequential Monte Carlo (SMC) is a very popular particle-based method to sample latent states from intractable posteriors. However, SSM is significantly influenced by the choice of the proposal. Recently Hamiltonian Monte Carlo (HMC) sampling has shown success in many practical problems. In this paper, we propose an SMC augmented by HMC (HSMC) for inference and model learning of nonlinear SSM, which can exempt us from learning proposals and reduce the model complexity significantly. Based on the measure preserving property of HMC, the particles directly generated by transition function can approximate the posterior of latent states arbitrarily well. In order to better adapt to the local geometry of latent space, the HMC is conducted on Riemannian manifold defined by a positive definite metric. In addition, we show that the proposed HSMC method can improve SSMs realized by both Gaussian Processes (GP) and Neural Network (NN).

Matrix manifolds, such as manifolds of Symmetric Positive Definite (SPD) matrices and Grassmann manifolds, appear in many applications. Recently, by applying the theory of gyrogroups and gyrovector spaces that is a powerful framework for studying hyperbolic geometry, some works have attempted to build principled generalizations of Euclidean neural networks on matrix manifolds. However, due to the lack of many concepts in gyrovector spaces for the considered manifolds, e.g., the inner product and gyroangles, techniques and mathematical tools provided by these works are still limited compared to those developed for studying hyperbolic geometry. In this paper, we generalize some notions in gyrovector spaces for SPD and Grassmann manifolds, and propose new models and layers for building neural networks on these manifolds. We show the effectiveness of our approach in two applications, i.e., human action recognition and knowledge graph completion.

Offline goal-conditioned reinforcement learning (GCRL) learns goal-conditioned policies from static pre-collected datasets. However, accurate value estimation remains a challenge due to the limited coverage of the state-action space. Recent physics-informed approaches have sought to address this by imposing physical and geometric constraints on the value function through regularization defined over first-order partial differential equations (PDEs), such as the Eikonal equation. However, these formulations can often be ill-posed in complex, high-dimensional environments. In this work, we propose a physics-informed regularization derived from the viscosity solution of the Hamilton-Jacobi-Bellman (HJB) equation. By providing a physics-based inductive bias, our approach grounds the learning process in optimal control theory, explicitly regularizing and bounding updates during value iterations. Furthermore, we leverage the Feynman-Kac theorem to recast the PDE solution as an expectation, enabling a tractable Monte Carlo estimation of the objective that avoids numerical instability in higher-order gradients. Experiments demonstrate that our method improves geometric consistency, making it broadly applicable to navigation and high-dimensional, complex manipulation tasks. Open-source codes are available at https://github.com/HrishikeshVish/phys-fk-value-GCRL.

Mathematics olympiads are prestigious competitions, with problem proposing and solving highly honored. Building artificial intelligence that proposes and solves olympiads presents an unresolved challenge in automated theorem discovery and proving, especially in geometry for its combination of numerical and spatial elements. We introduce TongGeometry, a Euclidean geometry system supporting tree-search-based guided problem proposing and solving. The efficient geometry system establishes the most extensive repository of geometry theorems to date: within the same computational budget as the existing state-of-the-art, TongGeometry discovers 6.7 billion geometry theorems requiring auxiliary constructions, including 4.1 billion exhibiting geometric symmetry. Among them, 10 theorems were proposed to regional mathematical olympiads with 3 of TongGeometry's proposals selected in real competitions, earning spots in a national team qualifying exam or a top civil olympiad in China and the US. Guided by fine-tuned large language models, TongGeometry solved all International Mathematical Olympiad geometry in IMO-AG-30, outperforming gold medalists for the first time. It also surpasses the existing state-of-the-art across a broader spectrum of olympiad-level problems. The full capabilities of the system can be utilized on a consumer-grade machine, making the model more accessible and fostering widespread democratization of its use. By analogy, unlike existing systems that merely solve problems like students, TongGeometry acts like a geometry coach, discovering, presenting, and proving theorems.

Adversarial threats against LLMs are escalating faster than current defenses can adapt. We expose a critical geometric blind spot in alignment: adversarial prompts exploit latent camouflage, embedding perilously close to the safe representation manifold while encoding unsafe intent thereby evading surface level defenses like Direct Preference Optimization (DPO), which remain blind to the latent geometry. We introduce ALKALI, the first rigorously curated adversarial benchmark and the most comprehensive to date spanning 9,000 prompts across three macro categories, six subtypes, and fifteen attack families. Evaluation of 21 leading LLMs reveals alarmingly high Attack Success Rates (ASRs) across both open and closed source models, exposing an underlying vulnerability we term latent camouflage, a structural blind spot where adversarial completions mimic the latent geometry of safe ones. To mitigate this vulnerability, we introduce GRACE - Geometric Representation Aware Contrastive Enhancement, an alignment framework coupling preference learning with latent space regularization. GRACE enforces two constraints: latent separation between safe and adversarial completions, and adversarial cohesion among unsafe and jailbreak behaviors. These operate over layerwise pooled embeddings guided by a learned attention profile, reshaping internal geometry without modifying the base model, and achieve up to 39% ASR reduction. Moreover, we introduce AVQI, a geometry aware metric that quantifies latent alignment failure via cluster separation and compactness. AVQI reveals when unsafe completions mimic the geometry of safe ones, offering a principled lens into how models internally encode safety. We make the code publicly available at https://anonymous.4open.science/r/alkali-B416/README.md.

We present PVSeRF, a learning framework that reconstructs neural radiance fields from single-view RGB images, for novel view synthesis. Previous solutions, such as pixelNeRF, rely only on pixel-aligned features and suffer from feature ambiguity issues. As a result, they struggle with the disentanglement of geometry and appearance, leading to implausible geometries and blurry results. To address this challenge, we propose to incorporate explicit geometry reasoning and combine it with pixel-aligned features for radiance field prediction. Specifically, in addition to pixel-aligned features, we further constrain the radiance field learning to be conditioned on i) voxel-aligned features learned from a coarse volumetric grid and ii) fine surface-aligned features extracted from a regressed point cloud. We show that the introduction of such geometry-aware features helps to achieve a better disentanglement between appearance and geometry, i.e. recovering more accurate geometries and synthesizing higher quality images of novel views. Extensive experiments against state-of-the-art methods on ShapeNet benchmarks demonstrate the superiority of our approach for single-image novel view synthesis.

Plane geometry problem solving (PGPS) has recently gained significant attention as a benchmark to assess the multi-modal reasoning capabilities of large vision-language models. Despite the growing interest in PGPS, the research community still lacks a comprehensive overview that systematically synthesizes recent work in PGPS. To fill this gap, we present a survey of existing PGPS studies. We first categorize PGPS methods into an encoder-decoder framework and summarize the corresponding output formats used by their encoders and decoders. Subsequently, we classify and analyze these encoders and decoders according to their architectural designs. Finally, we outline major challenges and promising directions for future research. In particular, we discuss the hallucination issues arising during the encoding phase within encoder-decoder architectures, as well as the problem of data leakage in current PGPS benchmarks.

Geometry problem solving is a key area of mathematical reasoning, which is widely involved in many important fields such as education, mathematical ability assessment of artificial intelligence, and multimodal ability assessment. In recent years, the rapid development of deep learning technology, especially the rise of multimodal large language models, has triggered a widespread research boom. This paper provides a survey of the applications of deep learning in geometry problem solving, including (i) a comprehensive summary of the relevant tasks in geometry problem solving; (ii) a thorough review of related deep learning methods; (iii) a detailed analysis of evaluation metrics and methods; and (iv) a critical discussion of the current challenges and future directions that can be explored. Our goal is to provide a comprehensive and practical reference of deep learning for geometry problem solving to promote further developments in this field. We create a continuously updated list of papers on GitHub: https://github.com/majianz/dl4gps.

Recent findings suggest that the consecutive layers of ReLU neural networks can be understood geometrically as space folding transformations of the input space, revealing patterns of self-similarity. In this paper, we present the first quantitative analysis of this space folding phenomenon in ReLU neural networks. Our approach focuses on examining how straight paths in the Euclidean input space are mapped to their counterparts in the Hamming activation space. In this process, the convexity of straight lines is generally lost, giving rise to non-convex folding behavior. To quantify this effect, we introduce a novel measure based on range metrics, similar to those used in the study of random walks, and provide the proof for the equivalence of convexity notions between the input and activation spaces. Furthermore, we provide empirical analysis on a geometrical analysis benchmark (CantorNet) as well as an image classification benchmark (MNIST). Our work advances the understanding of the activation space in ReLU neural networks by leveraging the phenomena of geometric folding, providing valuable insights on how these models process input information.

In many natural and engineered systems, unknown quantum channels act on a subsystem that cannot be directly controlled and measured, but is instead learned through a controllable subsystem that weakly interacts with it. We study quantum channel discrimination (QCD) under these restrictions, which we call hidden system QCD (HQCD). We find that sequential protocols achieve perfect discrimination and saturate the Heisenberg limit. In contrast, depth-1 parallel and multi-shot protocols cannot solve HQCD. This suggests that sequential protocols are superior in experimentally realistic situations.

A triangular mesh is one of the most popular 3D data representations. As such, the deployment of deep neural networks for mesh processing is widely spread and is increasingly attracting more attention. However, neural networks are prone to adversarial attacks, where carefully crafted inputs impair the model's functionality. The need to explore these vulnerabilities is a fundamental factor in the future development of 3D-based applications. Recently, mesh attacks were studied on the semantic level, where classifiers are misled to produce wrong predictions. Nevertheless, mesh surfaces possess complex geometric attributes beyond their semantic meaning, and their analysis often includes the need to encode and reconstruct the geometry of the shape. We propose a novel framework for a geometric adversarial attack on a 3D mesh autoencoder. In this setting, an adversarial input mesh deceives the autoencoder by forcing it to reconstruct a different geometric shape at its output. The malicious input is produced by perturbing a clean shape in the spectral domain. Our method leverages the spectral decomposition of the mesh along with additional mesh-related properties to obtain visually credible results that consider the delicacy of surface distortions. Our code is publicly available at https://github.com/StolikTomer/SAGA.

In nature, symmetry governs regularities, while symmetry breaking brings texture. In artificial neural networks, symmetry has been a central design principle to efficiently capture regularities in the world, but the role of symmetry breaking is not well understood. Here, we develop a theoretical framework to study the "geometry of learning dynamics" in neural networks, and reveal a key mechanism of explicit symmetry breaking behind the efficiency and stability of modern neural networks. To build this understanding, we model the discrete learning dynamics of gradient descent using a continuous-time Lagrangian formulation, in which the learning rule corresponds to the kinetic energy and the loss function corresponds to the potential energy. Then, we identify "kinetic symmetry breaking" (KSB), the condition when the kinetic energy explicitly breaks the symmetry of the potential function. We generalize Noether's theorem known in physics to take into account KSB and derive the resulting motion of the Noether charge: "Noether's Learning Dynamics" (NLD). Finally, we apply NLD to neural networks with normalization layers and reveal how KSB introduces a mechanism of "implicit adaptive optimization", establishing an analogy between learning dynamics induced by normalization layers and RMSProp. Overall, through the lens of Lagrangian mechanics, we have established a theoretical foundation to discover geometric design principles for the learning dynamics of neural networks.

Large-scale video diffusion models achieve impressive visual quality, yet often fail to preserve geometric consistency. Prior approaches improve consistency either by augmenting the generator with additional modules or applying geometry-aware alignment. However, architectural modifications can compromise the generalization of internet-scale pretrained models, while existing alignment methods are limited to static scenes and rely on RGB-space rewards that require repeated VAE decoding, incurring substantial compute overhead and failing to generalize to highly dynamic real-world scenes. To preserve the pretrained capacity while improving geometric consistency, we propose VGGRPO (Visual Geometry GRPO), a latent geometry-guided framework for geometry-aware video post-training. VGGRPO introduces a Latent Geometry Model (LGM) that stitches video diffusion latents to geometry foundation models, enabling direct decoding of scene geometry from the latent space. By constructing LGM from a geometry model with 4D reconstruction capability, VGGRPO naturally extends to dynamic scenes, overcoming the static-scene limitations of prior methods. Building on this, we perform latent-space Group Relative Policy Optimization with two complementary rewards: a camera motion smoothness reward that penalizes jittery trajectories, and a geometry reprojection consistency reward that enforces cross-view geometric coherence. Experiments on both static and dynamic benchmarks show that VGGRPO improves camera stability, geometry consistency, and overall quality while eliminating costly VAE decoding, making latent-space geometry-guided reinforcement an efficient and flexible approach to world-consistent video generation.

Geometry problem solving (GPS) is a high-level mathematical reasoning requiring the capacities of multi-modal fusion and geometric knowledge application. Recently, neural solvers have shown great potential in GPS but still be short in diagram presentation and modal fusion. In this work, we convert diagrams into basic textual clauses to describe diagram features effectively, and propose a new neural solver called PGPSNet to fuse multi-modal information efficiently. Combining structural and semantic pre-training, data augmentation and self-limited decoding, PGPSNet is endowed with rich knowledge of geometry theorems and geometric representation, and therefore promotes geometric understanding and reasoning. In addition, to facilitate the research of GPS, we build a new large-scale and fine-annotated GPS dataset named PGPS9K, labeled with both fine-grained diagram annotation and interpretable solution program. Experiments on PGPS9K and an existing dataset Geometry3K validate the superiority of our method over the state-of-the-art neural solvers. Our code, dataset and appendix material are available at https://github.com/mingliangzhang2018/PGPS.

Rapid growth of high-dimensional datasets in fields such as single-cell RNA sequencing and spatial genomics has led to unprecedented opportunities for scientific discovery, but it also presents unique computational and statistical challenges. Traditional methods struggle with geometry-aware data generation, interpolation along meaningful trajectories, and transporting populations via feasible paths. To address these issues, we introduce Geometry-Aware Generative Autoencoder (GAGA), a novel framework that combines extensible manifold learning with generative modeling. GAGA constructs a neural network embedding space that respects the intrinsic geometries discovered by manifold learning and learns a novel warped Riemannian metric on the data space. This warped metric is derived from both the points on the data manifold and negative samples off the manifold, allowing it to characterize a meaningful geometry across the entire latent space. Using this metric, GAGA can uniformly sample points on the manifold, generate points along geodesics, and interpolate between populations across the learned manifold using geodesic-guided flows. GAGA shows competitive performance in simulated and real-world datasets, including a 30% improvement over the state-of-the-art methods in single-cell population-level trajectory inference.

We present a method for estimating neural scenes representations of objects given only a single image. The core of our method is the estimation of a geometric scaffold for the object and its use as a guide for the reconstruction of the underlying radiance field. Our formulation is based on a generative process that first maps a latent code to a voxelized shape, and then renders it to an image, with the object appearance being controlled by a second latent code. During inference, we optimize both the latent codes and the networks to fit a test image of a new object. The explicit disentanglement of shape and appearance allows our model to be fine-tuned given a single image. We can then render new views in a geometrically consistent manner and they represent faithfully the input object. Additionally, our method is able to generalize to images outside of the training domain (more realistic renderings and even real photographs). Finally, the inferred geometric scaffold is itself an accurate estimate of the object's 3D shape. We demonstrate in several experiments the effectiveness of our approach in both synthetic and real images.

Geometric methods for solving open-world off-road navigation tasks, by learning occupancy and metric maps, provide good generalization but can be brittle in outdoor environments that violate their assumptions (e.g., tall grass). Learning-based methods can directly learn collision-free behavior from raw observations, but are difficult to integrate with standard geometry-based pipelines. This creates an unfortunate conflict -- either use learning and lose out on well-understood geometric navigational components, or do not use it, in favor of extensively hand-tuned geometry-based cost maps. In this work, we reject this dichotomy by designing the learning and non-learning-based components in a way such that they can be effectively combined in a self-supervised manner. Both components contribute to a planning criterion: the learned component contributes predicted traversability as rewards, while the geometric component contributes obstacle cost information. We instantiate and comparatively evaluate our system in both in-distribution and out-of-distribution environments, showing that this approach inherits complementary gains from the learned and geometric components and significantly outperforms either of them. Videos of our results are hosted at https://sites.google.com/view/hybrid-imitative-planning

Along the way initiated by Carleo and Troyer [1], we construct the neural-network quantum state of transverse-field Ising model(TFIM) by an unsupervised machine learning method. Such a wave function is a map from the spin-configuration space to the complex number field determined by an array of network parameters. To get the ground state of the system, values of the network parameters are calculated by a Stochastic Reconfiguration(SR) method. We provide for this SR method an understanding from action principle and information geometry aspects. With this quantum state, we calculate key observables of the system, the energy, correlation function, correlation length, magnetic moment and susceptibility. As innovations, we provide a high efficiency method and use it to calculate entanglement entropy (EE) of the system and get results consistent with previous work very well.

Although polygon meshes have been a standard representation in geometry processing, their irregular and combinatorial nature hinders their suitability for learning-based applications. In this work, we introduce a novel learnable mesh representation through a set of local 3D sample Points and their associated Normals and Quadric error metrics (QEM) w.r.t. the underlying shape, which we denote PoNQ. A global mesh is directly derived from PoNQ by efficiently leveraging the knowledge of the local quadric errors. Besides marking the first use of QEM within a neural shape representation, our contribution guarantees both topological and geometrical properties by ensuring that a PoNQ mesh does not self-intersect and is always the boundary of a volume. Notably, our representation does not rely on a regular grid, is supervised directly by the target surface alone, and also handles open surfaces with boundaries and/or sharp features. We demonstrate the efficacy of PoNQ through a learning-based mesh prediction from SDF grids and show that our method surpasses recent state-of-the-art techniques in terms of both surface and edge-based metrics.

Adversarial prompts capable of jailbreaking large language models (LLMs) and inducing undesirable behaviours pose a significant obstacle to their safe deployment. Current mitigation strategies rely on activating built-in defence mechanisms or fine-tuning the LLMs, but the fundamental distinctions between adversarial and benign prompts are yet to be understood. In this work, we introduce CurvaLID, a novel defense framework that efficiently detects adversarial prompts by leveraging their geometric properties. It is agnostic to the type of LLM, offering a unified detection framework across diverse adversarial prompts and LLM architectures. CurvaLID builds on the geometric analysis of text prompts to uncover their underlying differences. We theoretically extend the concept of curvature via the Whewell equation into an n-dimensional word embedding space, enabling us to quantify local geometric properties, including semantic shifts and curvature in the underlying manifolds. Additionally, we employ Local Intrinsic Dimensionality (LID) to capture geometric features of text prompts within adversarial subspaces. Our findings reveal that adversarial prompts differ fundamentally from benign prompts in terms of their geometric characteristics. Our results demonstrate that CurvaLID delivers superior detection and rejection of adversarial queries, paving the way for safer LLM deployment. The source code can be found at https://github.com/Cancanxxx/CurvaLID

The role of hidden units in recurrent neural networks is typically seen as modeling memory, with research focusing on enhancing information retention through gating mechanisms. A less explored perspective views hidden units as active participants in the computation performed by the network, rather than passive memory stores. In this work, we revisit bi-linear operations, which involve multiplicative interactions between hidden units and input embeddings. We demonstrate theoretically and empirically that they constitute a natural inductive bias for representing the evolution of hidden states in state tracking tasks. These are the simplest type of task that require hidden units to actively contribute to the behavior of the network. We also show that bi-linear state updates form a natural hierarchy corresponding to state tracking tasks of increasing complexity, with popular linear recurrent networks such as Mamba residing at the lowest-complexity center of that hierarchy.

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.

Multimodal Large Language Models (MLLMs) have achieved remarkable progress but continue to struggle with geometric reasoning, primarily due to the perception bottleneck regarding fine-grained visual elements. While formal languages have aided plane geometry understanding, solid geometry which requires spatial understanding remains largely unexplored. In this paper, we address this challenge by designing a unified formal language that integrates plane and solid geometry, comprehensively covering geometric structures and semantic relations. We construct GDP-29K, a large-scale dataset comprising 20k plane and 9k solid geometry samples collected from diverse real-world sources, each paired with its ground-truth formal description. To ensure syntactic correctness and geometric consistency, we propose a training paradigm that combines Supervised Fine-Tuning with Reinforcement Learning via Verifiable Rewards. Experiments show that our approach achieves state-of-the-art parsing performance. Furthermore, we demonstrate that our parsed formal descriptions serve as a critical cognitive scaffold, significantly boosting MLLMs' capabilities for downstream geometry reasoning tasks. Our data and code are available at Geoparsing.

Automatic math problem solving has recently attracted increasing attention as a long-standing AI benchmark. In this paper, we focus on solving geometric problems, which requires a comprehensive understanding of textual descriptions, visual diagrams, and theorem knowledge. However, the existing methods were highly dependent on handcraft rules and were merely evaluated on small-scale datasets. Therefore, we propose a Geometric Question Answering dataset GeoQA, containing 4,998 geometric problems with corresponding annotated programs, which illustrate the solving process of the given problems. Compared with another publicly available dataset GeoS, GeoQA is 25 times larger, in which the program annotations can provide a practical testbed for future research on explicit and explainable numerical reasoning. Moreover, we introduce a Neural Geometric Solver (NGS) to address geometric problems by comprehensively parsing multimodal information and generating interpretable programs. We further add multiple self-supervised auxiliary tasks on NGS to enhance cross-modal semantic representation. Extensive experiments on GeoQA validate the effectiveness of our proposed NGS and auxiliary tasks. However, the results are still significantly lower than human performance, which leaves large room for future research. Our benchmark and code are released at https://github.com/chen-judge/GeoQA .

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position t in an input, can we reliably anticipate the tokens that will appear at positions geq t + 2? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension n=8, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions 4-16, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

Fault-tolerant quantum computers offer the promise of dramatically improving machine learning through speed-ups in computation or improved model scalability. In the near-term, however, the benefits of quantum machine learning are not so clear. Understanding expressibility and trainability of quantum models-and quantum neural networks in particular-requires further investigation. In this work, we use tools from information geometry to define a notion of expressibility for quantum and classical models. The effective dimension, which depends on the Fisher information, is used to prove a novel generalisation bound and establish a robust measure of expressibility. We show that quantum neural networks are able to achieve a significantly better effective dimension than comparable classical neural networks. To then assess the trainability of quantum models, we connect the Fisher information spectrum to barren plateaus, the problem of vanishing gradients. Importantly, certain quantum neural networks can show resilience to this phenomenon and train faster than classical models due to their favourable optimisation landscapes, captured by a more evenly spread Fisher information spectrum. Our work is the first to demonstrate that well-designed quantum neural networks offer an advantage over classical neural networks through a higher effective dimension and faster training ability, which we verify on real quantum hardware.

Geometric model fitting is a challenging but fundamental computer vision problem. Recently, quantum optimization has been shown to enhance robust fitting for the case of a single model, while leaving the question of multi-model fitting open. In response to this challenge, this paper shows that the latter case can significantly benefit from quantum hardware and proposes the first quantum approach to multi-model fitting (MMF). We formulate MMF as a problem that can be efficiently sampled by modern adiabatic quantum computers without the relaxation of the objective function. We also propose an iterative and decomposed version of our method, which supports real-world-sized problems. The experimental evaluation demonstrates promising results on a variety of datasets. The source code is available at: https://github.com/FarinaMatteo/qmmf.

Geometry problem solving has attracted much attention in the NLP community recently. The task is challenging as it requires abstract problem understanding and symbolic reasoning with axiomatic knowledge. However, current datasets are either small in scale or not publicly available. Thus, we construct a new large-scale benchmark, Geometry3K, consisting of 3,002 geometry problems with dense annotation in formal language. We further propose a novel geometry solving approach with formal language and symbolic reasoning, called Interpretable Geometry Problem Solver (Inter-GPS). Inter-GPS first parses the problem text and diagram into formal language automatically via rule-based text parsing and neural object detecting, respectively. Unlike implicit learning in existing methods, Inter-GPS incorporates theorem knowledge as conditional rules and performs symbolic reasoning step by step. Also, a theorem predictor is designed to infer the theorem application sequence fed to the symbolic solver for the more efficient and reasonable searching path. Extensive experiments on the Geometry3K and GEOS datasets demonstrate that Inter-GPS achieves significant improvements over existing methods. The project with code and data is available at https://lupantech.github.io/inter-gps.

Lightweight creation of 3D digital avatars is a highly desirable but challenging task. With only sparse videos of a person under unknown illumination, we propose a method to create relightable and animatable neural avatars, which can be used to synthesize photorealistic images of humans under novel viewpoints, body poses, and lighting. The key challenge here is to disentangle the geometry, material of the clothed body, and lighting, which becomes more difficult due to the complex geometry and shadow changes caused by body motions. To solve this ill-posed problem, we propose novel techniques to better model the geometry and shadow changes. For geometry change modeling, we propose an invertible deformation field, which helps to solve the inverse skinning problem and leads to better geometry quality. To model the spatial and temporal varying shading cues, we propose a pose-aware part-wise light visibility network to estimate light occlusion. Extensive experiments on synthetic and real datasets show that our approach reconstructs high-quality geometry and generates realistic shadows under different body poses. Code and data are available at https://wenbin-lin.github.io/RelightableAvatar-page/.

Knowledge distillation compresses large teachers into smaller students, but performance saturates at a loss floor that persists across training methods and objectives. We argue this floor is geometric: neural networks represent far more features than dimensions through superposition, and a student of width d_S can encode at most d_S cdot g(α) features, where g(α) = 1/((1-α)ln1{1-α}) is a sparsity-dependent capacity function. Features beyond this budget are permanently lost, yielding an importance-weighted loss floor. We validate on a toy model (48 configurations, median accuracy >93%) and on Pythia-410M, where sparse autoencoders measure F approx 28{,}700 features at αapprox 0.992 (critical width d_S^* approx 1{,}065). Distillation into five student widths confirms the predicted monotonic floor ordering. The observed floor decomposes into a geometric component and a width-independent architectural baseline (R^2 = 0.993). Linear probing shows coarse concepts survive even 88% feature loss, revealing the floor arises from aggregate loss of fine-grained features in the importance distribution's long tail. Our results connect representation geometry to distillation limits and provide a practical tool for predicting distillation performance from SAE measurements alone.

Empowered by large-scale training, vision-language models (VLMs) achieve strong image and video understanding, yet their ability to perform spatial reasoning in both static scenes and dynamic videos remains limited. Recent advances try to handle this limitation by injecting geometry tokens from pretrained 3D foundation models into VLMs. Nevertheless, we observe that naive token fusion followed by standard fine-tuning in this line of work often leaves such geometric cues underutilized for spatial reasoning, as VLMs tend to rely heavily on 2D visual cues. In this paper, we propose GeoSR, a framework designed to make geometry matter by encouraging VLMs to actively reason with geometry tokens. GeoSR introduces two key components: (1) Geometry-Unleashing Masking, which strategically masks portions of 2D vision tokens during training to weaken non-geometric shortcuts and force the model to consult geometry tokens for spatial reasoning; and (2) Geometry-Guided Fusion, a gated routing mechanism that adaptively amplifies geometry token contributions in regions where geometric evidence is critical. Together, these designs unleash the potential of geometry tokens for spatial reasoning tasks. Extensive experiments on both static and dynamic spatial reasoning benchmarks demonstrate that GeoSR consistently outperforms prior methods and establishes new state-of-the-art performance by effectively leveraging geometric information. The project page is available at https://suhzhang.github.io/GeoSR/.

Recent years have seen a surprising connection between the physics of scattering amplitudes and a class of mathematical objects--the positive Grassmannian, positive loop Grassmannians, tree and loop Amplituhedra--which have been loosely referred to as "positive geometries". The connection between the geometry and physics is provided by a unique differential form canonically determined by the property of having logarithmic singularities (only) on all the boundaries of the space, with residues on each boundary given by the canonical form on that boundary. In this paper we initiate an exploration of "positive geometries" and "canonical forms" as objects of study in their own right in a more general mathematical setting. We give a precise definition of positive geometries and canonical forms, introduce general methods for finding forms for more complicated positive geometries from simpler ones, and present numerous examples of positive geometries in projective spaces, Grassmannians, and toric, cluster and flag varieties. We also illustrate a number of strategies for computing canonical forms which yield interesting representations for the forms associated with wide classes of positive geometries, ranging from the simplest Amplituhedra to new expressions for the volume of arbitrary convex polytopes.

Transformers have empowered many milestones across various fields and have recently been applied to solve partial differential equations (PDEs). However, since PDEs are typically discretized into large-scale meshes with complex geometries, it is challenging for Transformers to capture intricate physical correlations directly from massive individual points. Going beyond superficial and unwieldy meshes, we present Transolver based on a more foundational idea, which is learning intrinsic physical states hidden behind discretized geometries. Specifically, we propose a new Physics-Attention to adaptively split the discretized domain into a series of learnable slices of flexible shapes, where mesh points under similar physical states will be ascribed to the same slice. By calculating attention to physics-aware tokens encoded from slices, Transovler can effectively capture intricate physical correlations under complex geometrics, which also empowers the solver with endogenetic geometry-general modeling capacity and can be efficiently computed in linear complexity. Transolver achieves consistent state-of-the-art with 22% relative gain across six standard benchmarks and also excels in large-scale industrial simulations, including car and airfoil designs. Code is available at https://github.com/thuml/Transolver.

We introduce GeoDANO, a geometric vision-language model (VLM) with a domain-agnostic vision encoder, for solving plane geometry problems. Although VLMs have been employed for solving geometry problems, their ability to recognize geometric features remains insufficiently analyzed. To address this gap, we propose a benchmark that evaluates the recognition of visual geometric features, including primitives such as dots and lines, and relations such as orthogonality. Our preliminary study shows that vision encoders often used in general-purpose VLMs, e.g., OpenCLIP, fail to detect these features and struggle to generalize across domains. We develop GeoCLIP, a CLIP based model trained on synthetic geometric diagram-caption pairs to overcome the limitation. Benchmark results show that GeoCLIP outperforms existing vision encoders in recognizing geometric features. We then propose our VLM, GeoDANO, which augments GeoCLIP with a domain adaptation strategy for unseen diagram styles. GeoDANO outperforms specialized methods for plane geometry problems and GPT-4o on MathVerse.

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.

The discovery of the disentanglement properties of the latent space in GANs motivated a lot of research to find the semantically meaningful directions on it. In this paper, we suggest that the disentanglement property is closely related to the geometry of the latent space. In this regard, we propose an unsupervised method for finding the semantic-factorizing directions on the intermediate latent space of GANs based on the local geometry. Intuitively, our proposed method, called Local Basis, finds the principal variation of the latent space in the neighborhood of the base latent variable. Experimental results show that the local principal variation corresponds to the semantic factorization and traversing along it provides strong robustness to image traversal. Moreover, we suggest an explanation for the limited success in finding the global traversal directions in the latent space, especially W-space of StyleGAN2. We show that W-space is warped globally by comparing the local geometry, discovered from Local Basis, through the metric on Grassmannian Manifold. The global warpage implies that the latent space is not well-aligned globally and therefore the global traversal directions are bound to show limited success on it.

By interpreting the product of the Principal Component Analysis, that is the covariance matrix, as a sequence of nested subspaces naturally coming with weights according to the level of approximation they provide, we are able to embed all d--dimensional Grassmannians into a stratified space of covariance matrices. We observe that Grassmannians constitute the lowest dimensional skeleton of the stratification while it is possible to define a Riemaniann metric on the highest dimensional and dense stratum, such a metric being compatible with the global stratification. With such a Riemaniann metric at hand, it is possible to look for geodesics between two linear subspaces of different dimensions that do not go through higher dimensional linear subspaces as would euclidean geodesics. Building upon the proposed embedding of Grassmannians into the stratified space of covariance matrices, we generalize the concept of varifolds to what we call flagfolds in order to model multi-dimensional shapes.

Variational algorithms require architectures that naturally constrain the optimisation space to run efficiently. In geometric quantum machine learning, one achieves this by encoding group structure into parameterised quantum circuits to include the symmetries of a problem as an inductive bias. However, constructing such circuits is challenging as a concrete guiding principle has yet to emerge. In this paper, we propose the use of spin networks, a form of directed tensor network invariant under a group transformation, to devise SU(2) equivariant quantum circuit ans\"atze -- circuits possessing spin rotation symmetry. By changing to the basis that block diagonalises SU(2) group action, these networks provide a natural building block for constructing parameterised equivariant quantum circuits. We prove that our construction is mathematically equivalent to other known constructions, such as those based on twirling and generalised permutations, but more direct to implement on quantum hardware. The efficacy of our constructed circuits is tested by solving the ground state problem of SU(2) symmetric Heisenberg models on the one-dimensional triangular lattice and on the Kagome lattice. Our results highlight that our equivariant circuits boost the performance of quantum variational algorithms, indicating broader applicability to other real-world problems.

Large language models (LLMs) generalize smoothly across continuous semantic spaces, yet strict logical reasoning demands the formation of discrete decision boundaries. Prevailing theories relying on linear isometric projections fail to resolve this fundamental tension. In this work, we argue that task context operates as a non-isometric dynamical operator that enforces a necessary "topological distortion." By applying Gram-Schmidt decomposition to residual-stream activations , we reveal a dual-modulation mechanism driving this process: a class-agnostic topological preservation that anchors global structure to prevent semantic collapse, and a specific algebraic divergence that directionally tears apart cross-class concepts to forge logical boundaries. We validate this geometric evolution across a gradient of tasks, from simple mapping to complex primality testing. Crucially, targeted specific vector ablation establishes a strict causal binding between this topology and model function: algebraically erasing the divergence component collapses parity classification accuracy from 100% to chance levels (38.57%). Furthermore, we uncover a three-phase layer-wise geometric dynamic and demonstrate that under social pressure prompts, models fail to generate sufficient divergence. This results in a "manifold entanglement" that geometrically explains sycophancy and hallucination. Ultimately, our findings revise the linear-isometric presumption, demonstrating that the emergence of discrete logic in LLMs is purchased at an irreducible cost of topological deformation.

This is the first paper in a series of work we have accomplished over the past three years. In this paper, we have constructed a consistent formal plane geometry system. This will serve as a crucial bridge between IMO-level plane geometry challenges and readable AI automated reasoning. Within this formal framework, we have been able to seamlessly integrate modern AI models with our formal system. AI is now capable of providing deductive reasoning solutions to IMO-level plane geometry problems, just like handling other natural languages, and these proofs are readable, traceable, and verifiable. We propose the geometry formalization theory (GFT) to guide the development of the geometry formal system. Based on the GFT, we have established the FormalGeo, which consists of 88 geometric predicates and 196 theorems. It can represent, validate, and solve IMO-level geometry problems. we also have crafted the FGPS (formal geometry problem solver) in Python. It serves as both an interactive assistant for verifying problem-solving processes and an automated problem solver. We've annotated the formalgeo7k and formalgeo-imo datasets. The former contains 6,981 (expand to 133,818 through data augmentation) geometry problems, while the latter includes 18 (expand to 2,627 and continuously increasing) IMO-level challenging geometry problems. All annotated problems include detailed formal language descriptions and solutions. Implementation of the formal system and experiments validate the correctness and utility of the GFT. The backward depth-first search method only yields a 2.42% problem-solving failure rate, and we can incorporate deep learning techniques to achieve lower one. The source code of FGPS and datasets are available at https://github.com/BitSecret/FGPS.

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such models can separate generic pairs of non-isomorphic geometric graphs, though they may fail to separate some rare and complicated instances. However, these results assume a fully connected graph, where each node possesses complete knowledge of all other nodes. In contrast, often, in application, every node only possesses knowledge of a small number of nearest neighbors. This paper shows that generic pairs of non-isomorphic geometric graphs can be separated by message-passing networks with rotation equivariant features as long as the underlying graph is connected. When only invariant intermediate features are allowed, generic separation is guaranteed for generically globally rigid graphs. We introduce a simple architecture, EGENNET, which achieves our theoretical guarantees and compares favorably with alternative architecture on synthetic and chemical benchmarks. Our code is available at https://github.com/yonatansverdlov/E-GenNet.

Neural networks can accurately forecast complex dynamical systems, yet how they internally represent underlying latent geometry remains poorly understood. We study neural forecasters through the lens of representational alignment, introducing anchor-based, geometry-agnostic relative embeddings that remove rotational and scaling ambiguities in latent spaces. Applying this framework across seven canonical dynamical systems - ranging from periodic to chaotic - we reveal reproducible family-level structure: multilayer perceptrons align with other MLPs, recurrent networks with RNNs, while transformers and echo-state networks achieve strong forecasts despite weaker alignment. Alignment generally correlates with forecasting accuracy, yet high accuracy can coexist with low alignment. Relative geometry thus provides a simple, reproducible foundation for comparing how model families internalize and represent dynamical structure.

Large vision language models exhibit notable limitations on Geometry Problem Solving (GPS) because of their unreliable diagram interpretation and pure natural-language reasoning. A recent line of work mitigates this by using symbolic solvers: the model directly generates a formal program that a geometry solver can execute. However, this direct program generation lacks intermediate reasoning, making the decision process opaque and prone to errors. In this work, we explore a new approach that integrates Chain-of-Thought (CoT) with formal language. The model interleaves natural language reasoning with incremental emission of solver-executable code, producing a hybrid reasoning trace in which critical derivations are expressed in formal language. To teach this behavior at scale, we combine (1) supervised fine-tuning on an 11K newly developed synthetic dataset with interleaved natural language reasoning and automatic formalization, and (2) solver-in-the-loop reinforcement learning that jointly optimizes both the CoT narrative and the resulting program through outcome-based rewards. Built on Qwen2.5-VL-7B, our new model, named GF-Reasoner, achieves up to 15% accuracy improvements on standard GPS benchmarks, surpassing both 7B-scale peers and the much larger model Qwen2.5-VL-72B. By exploiting high-order geometric knowledge and offloading symbolic computation to the solver, the generated reasoning traces are noticeably shorter and cleaner. Furthermore, we present a comprehensive analysis of method design choices (e.g., reasoning paradigms, data synthesis, training epochs, etc.), providing actionable insights for future research.

Large language model (LLM) agents exhibit strong mathematical problem-solving abilities and can even solve International Mathematical Olympiad (IMO) level problems with the assistance of formal proof systems. However, due to weak heuristics for auxiliary constructions, AI for geometry problem solving remains dominated by expert models such as AlphaGeometry 2, which rely heavily on large-scale data synthesis and search for both training and evaluation. In this work, we make the first attempt to build a medalist-level LLM agent for geometry and present InternGeometry. InternGeometry overcomes the heuristic limitations in geometry by iteratively proposing propositions and auxiliary constructions, verifying them with a symbolic engine, and reflecting on the engine's feedback to guide subsequent proposals. A dynamic memory mechanism enables InternGeometry to conduct more than two hundred interactions with the symbolic engine per problem. To further accelerate learning, we introduce Complexity-Boosting Reinforcement Learning (CBRL), which gradually increases the complexity of synthesized problems across training stages. Built on InternThinker-32B, InternGeometry solves 44 of 50 IMO geometry problems (2000-2024), exceeding the average gold medalist score (40.9), using only 13K training examples, just 0.004% of the data used by AlphaGeometry 2, demonstrating the potential of LLM agents on expert-level geometry tasks. InternGeometry can also propose novel auxiliary constructions for IMO problems that do not appear in human solutions. We will release the model, data, and symbolic engine to support future research.

Unitary t-designs are some of the most versatile tools in quantum information theory. Their applications range from randomized benchmarking and shadow tomography, to more fundamental ones such as emulating quantum chaos and establishing exponential separations between classical and quantum query complexity. While unitary designs originating from a group structure, such as the Clifford group, have proven to be incredibly useful for qubit systems, unfortunately, this is no longer true for qudits. In fact, the classification of finite-group representations rules out the existence of unitary 2-designs for arbitrary qudit dimensions. This severely limits the applicability of standard quantum information primitives when it comes to qudit systems. We overcome these limitations with a three-fold contribution. First, we introduce a general technique to construct families of weighted state t-designs in arbitrary qudit dimensions. These weighted state-designs generalize classical shadow tomography protocol from qubits to qudits. Second, we introduce a Clifford character RB that allows us to benchmark the qudit Clifford group in any dimension, including non-prime-power dimensions. And third, we establish bounds on the quantum circuit complexity of generating approximate unitary-designs from native gates in existing quantum hardware such as high-spin and cavity-QED qudits. Our work further highlights the analogy between spin and optical coherent states by proving that spin-GKP codewords form a state 2-design while spin coherent states do not; in direct analogy with the optical case. This work is structured as a pedagogical and self-contained introduction to unitary designs and their applications to qudit systems.

The aerodynamic coefficients of aircrafts are significantly impacted by its geometry, especially when the angle of attack (AoA) is large. In the field of aerodynamics, traditional polynomial-based parameterization uses as few parameters as possible to describe the geometry of an airfoil. However, because the 3D geometry of a wing is more complicated than the 2D airfoil, polynomial-based parameterizations have difficulty in accurately representing the entire shape of a wing in 3D space. Existing deep learning-based methods can extract massive latent neural representations for the shape of 2D airfoils or 2D slices of wings. Recent studies highlight that directly taking geometric features as inputs to the neural networks can improve the accuracy of predicted aerodynamic coefficients. Motivated by geometry theory, we propose to incorporate Riemannian geometric features for learning Coefficient of Pressure (CP) distributions on wing surfaces. Our method calculates geometric features (Riemannian metric, connection, and curvature) and further inputs the geometric features, coordinates and flight conditions into a deep learning model to predict the CP distribution. Experimental results show that our method, compared to state-of-the-art Deep Attention Network (DAN), reduces the predicted mean square error (MSE) of CP by an average of 8.41% for the DLR-F11 aircraft test set.

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction. The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering. Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.

The inductive bias of a graph neural network (GNN) is largely encoded in its specified graph. Latent graph inference relies on latent geometric representations to dynamically rewire or infer a GNN's graph to maximize the GNN's predictive downstream performance, but it lacks solid theoretical foundations in terms of embedding-based representation guarantees. This paper addresses this issue by introducing a trainable deep learning architecture, coined neural snowflake, that can adaptively implement fractal-like metrics on R^d. We prove that any given finite weights graph can be isometrically embedded by a standard MLP encoder. Furthermore, when the latent graph can be represented in the feature space of a sufficiently regular kernel, we show that the combined neural snowflake and MLP encoder do not succumb to the curse of dimensionality by using only a low-degree polynomial number of parameters in the number of nodes. This implementation enables a low-dimensional isometric embedding of the latent graph. We conduct synthetic experiments to demonstrate the superior metric learning capabilities of neural snowflakes when compared to more familiar spaces like Euclidean space. Additionally, we carry out latent graph inference experiments on graph benchmarks. Consistently, the neural snowflake model achieves predictive performance that either matches or surpasses that of the state-of-the-art latent graph inference models. Importantly, this performance improvement is achieved without requiring random search for optimal latent geometry. Instead, the neural snowflake model achieves this enhancement in a differentiable manner.

Do contemporary diffusion models preserve the class geometry of hyperspherical data? Standard diffusion models rely on isotropic Gaussian noise in the forward process, inherently favoring Euclidean spaces. However, many real-world problems involve non-Euclidean distributions, such as hyperspherical manifolds, where class-specific patterns are governed by angular geometry within hypercones. When modeled in Euclidean space, these angular subtleties are lost, leading to suboptimal generative performance. To address this limitation, we introduce HyperSphereDiff to align hyperspherical structures with directional noise, preserving class geometry and effectively capturing angular uncertainty. We demonstrate both theoretically and empirically that this approach aligns the generative process with the intrinsic geometry of hyperspherical data, resulting in more accurate and geometry-aware generative models. We evaluate our framework on four object datasets and two face datasets, showing that incorporating angular uncertainty better preserves the underlying hyperspherical manifold. Resources are available at: {https://github.com/IAB-IITJ/Harmonizing-Geometry-and-Uncertainty-Diffusion-with-Hyperspheres/}

Geometric Deep Learning has recently made striking progress with the advent of continuous deep implicit fields. They allow for detailed modeling of watertight surfaces of arbitrary topology while not relying on a 3D Euclidean grid, resulting in a learnable parameterization that is unlimited in resolution. Unfortunately, these methods are often unsuitable for applications that require an explicit mesh-based surface representation because converting an implicit field to such a representation relies on the Marching Cubes algorithm, which cannot be differentiated with respect to the underlying implicit field. In this work, we remove this limitation and introduce a differentiable way to produce explicit surface mesh representations from Deep Implicit Fields. Our key insight is that by reasoning on how implicit field perturbations impact local surface geometry, one can ultimately differentiate the 3D location of surface samples with respect to the underlying deep implicit field. We exploit this to define DeepMesh - an end-to-end differentiable mesh representation that can vary its topology. We validate our theoretical insight through several applications: Single view 3D Reconstruction via Differentiable Rendering, Physically-Driven Shape Optimization, Full Scene 3D Reconstruction from Scans and End-to-End Training. In all cases our end-to-end differentiable parameterization gives us an edge over state-of-the-art algorithms.

Neural quantum states (NQS) have emerged as a powerful tool for approximating quantum wavefunctions using deep learning. While these models achieve remarkable accuracy, understanding how they encode physical information remains an open challenge. In this work, we introduce adiabatic fine-tuning, a scheme that trains NQS across a phase diagram, leading to strongly correlated weight representations across different models. This correlation in weight space enables the detection of phase transitions in quantum systems by analyzing the trained network weights alone. We validate our approach on the transverse field Ising model and the J1-J2 Heisenberg model, demonstrating that phase transitions manifest as distinct structures in weight space. Our results establish a connection between physical phase transitions and the geometry of neural network parameters, opening new directions for the interpretability of machine learning models in physics.

Given a stationary state-space model that relates a sequence of hidden states and corresponding measurements or observations, Bayesian filtering provides a principled statistical framework for inferring the posterior distribution of the current state given all measurements up to the present time. For example, the Apollo lunar module implemented a Kalman filter to infer its location from a sequence of earth-based radar measurements and land safely on the moon. To perform Bayesian filtering, we require a measurement model that describes the conditional distribution of each observation given state. The Kalman filter takes this measurement model to be linear, Gaussian. Here we show how a nonlinear, Gaussian approximation to the distribution of state given observation can be used in conjunction with Bayes' rule to build a nonlinear, non-Gaussian measurement model. The resulting approach, called the Discriminative Kalman Filter (DKF), retains fast closed-form updates for the posterior. We argue there are many cases where the distribution of state given measurement is better-approximated as Gaussian, especially when the dimensionality of measurements far exceeds that of states and the Bernstein-von Mises theorem applies. Online neural decoding for brain-computer interfaces provides a motivating example, where filtering incorporates increasingly detailed measurements of neural activity to provide users control over external devices. Within the BrainGate2 clinical trial, the DKF successfully enabled three volunteers with quadriplegia to control an on-screen cursor in real-time using mental imagery alone. Participant "T9" used the DKF to type out messages on a tablet PC.

Recent facial image synthesis methods have been mainly based on conditional generative models. Sketch-based conditions can effectively describe the geometry of faces, including the contours of facial components, hair structures, as well as salient edges (e.g., wrinkles) on face surfaces but lack effective control of appearance, which is influenced by color, material, lighting condition, etc. To have more control of generated results, one possible approach is to apply existing disentangling works to disentangle face images into geometry and appearance representations. However, existing disentangling methods are not optimized for human face editing, and cannot achieve fine control of facial details such as wrinkles. To address this issue, we propose DeepFaceEditing, a structured disentanglement framework specifically designed for face images to support face generation and editing with disentangled control of geometry and appearance. We adopt a local-to-global approach to incorporate the face domain knowledge: local component images are decomposed into geometry and appearance representations, which are fused consistently using a global fusion module to improve generation quality. We exploit sketches to assist in extracting a better geometry representation, which also supports intuitive geometry editing via sketching. The resulting method can either extract the geometry and appearance representations from face images, or directly extract the geometry representation from face sketches. Such representations allow users to easily edit and synthesize face images, with decoupled control of their geometry and appearance. Both qualitative and quantitative evaluations show the superior detail and appearance control abilities of our method compared to state-of-the-art methods.

Geometric deep learning, i.e., designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, have achieved great successes in the last decade. One critical inductive bias is that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. The existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. To solve this problem, we revisit why the existing neural networks cannot maintain transformation invariance when handling geometric data. Our findings show that transformation-invariant and distance-preserving initial representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general framework for geometric data. Specifically, we realize transformation-invariant and distance-preserving initial point representations by modifying multi-dimensional scaling before feeding the representations into neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our proposed method. Based on the experimental results, we advocate that TinvNN should be considered a new starting point and an essential baseline for further studies of transformation-invariant geometric deep learning.

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.

Existing Large Multimodal Models (LMMs) struggle with mathematical geometric reasoning due to a lack of high-quality image-text paired data. Current geometric data generation approaches, which apply preset templates to generate geometric data or use Large Language Models (LLMs) to rephrase questions and answers (Q&A), unavoidably limit data accuracy and diversity. To synthesize higher-quality data, we propose a two-stage Reverse Chain-of-Thought (R-CoT) geometry problem generation pipeline. First, we introduce GeoChain to produce high-fidelity geometric images and corresponding descriptions highlighting relations among geometric elements. We then design a Reverse A&Q method that reasons step-by-step based on the descriptions and generates questions in reverse from the reasoning results. Experiments demonstrate that the proposed method brings significant and consistent improvements on multiple LMM baselines, achieving new performance records in the 2B, 7B, and 8B settings. Notably, R-CoT-8B significantly outperforms previous state-of-the-art open-source mathematical models by 16.6% on MathVista and 9.2% on GeoQA, while also surpassing the closed-source model GPT-4o by an average of 13% across both datasets. The code is available at https://github.com/dle666/R-CoT.

We verify that persistent observers in causally invariant hypergraph substrates satisfy the conditions of the Conant-Ashby Good Regulator Theorem. Building on Wolfram's hypergraph physics and Vanchurin's neural network cosmology, we formalize persistent observers as entities that minimize prediction error at their boundary with the environment. Applying a modern reformulation of the Conant-Ashby theorem, we demonstrate that hypergraph observers satisfy Good Regulator conditions, requiring them to maintain internal models. Once an internal model with loss function exists, the emergence of a Fisher information metric follows from standard information geometry. Invoking Amari's uniqueness theorem for reparameterization-invariant gradients, we show that natural gradient descent is the unique admissible learning rule. Under the ansatz M=F^2 for exponential family observers and one specific convergence time functional, we derive a closed-form formula for the regime parameter alpha in Vanchurin's Type II framework, with a quantum-classical threshold at kappa(F)=2. However, three alternative convergence models do not reproduce this result, so this prediction is strongly model-dependent. We further introduce the directional regime parameter alpha_{v_k} and the trace-free deviation tensor, showing that a single observer can simultaneously occupy different Vanchurin regimes along different eigendirections of the Fisher metric. This connects Wolfram and Vanchurin frameworks through established theorems, providing approximately 25-30% novel contribution.

We consider molecule generation in 3D space using language models (LMs), which requires discrete tokenization of 3D molecular geometries. Although tokenization of molecular graphs exists, that for 3D geometries is largely unexplored. Here, we attempt to bridge this gap by proposing the Geo2Seq, which converts molecular geometries into SE(3)-invariant 1D discrete sequences. Geo2Seq consists of canonical labeling and invariant spherical representation steps, which together maintain geometric and atomic fidelity in a format conducive to LMs. Our experiments show that, when coupled with Geo2Seq, various LMs excel in molecular geometry generation, especially in controlled generation tasks.

This is the second paper devoted to the numerical version of Signature-inverse Theorem in terms of the underlying joint invariants. Signature Theorem and its Inverse guarantee any application of differential invariant signature curves to the invariant recognition of visual objects. We first show the invalidity of Curvature-inverse and Signature inverse theorems, meaning non-congruent meshes may have the same joint invariant numerical curvature or signature. Then by classifying three and five point ordinary meshes respectively in the Euclidean and affine cases, we look for conditions in terms of the associated joint invariant signatures which make these theorems correct. Additionally, we bring forward The Host Theorem to provide a simpler version of Signature-inverse Theorem for closed ordinary meshes.

Shadow tomography for quantum states provides a sample efficient approach for predicting the properties of quantum systems when the properties are restricted to expectation values of 2-outcome POVMs. However, these shadow tomography procedures yield poor bounds if there are more than 2 outcomes per measurement. In this paper, we consider a general problem of learning properties from unknown quantum states: given an unknown d-dimensional quantum state rho and M unknown quantum measurements M_1,...,M_M with Kgeq 2 outcomes, estimating the probability distribution for applying M_i on rho to within total variation distance epsilon. Compared to the special case when K=2, we need to learn unknown distributions instead of values. We develop an online shadow tomography procedure that solves this problem with high success probability requiring O(Klog^2Mlog d/epsilon^4) copies of rho. We further prove an information-theoretic lower bound that at least Omega(min{d^2,K+log M}/epsilon^2) copies of rho are required to solve this problem with high success probability. Our shadow tomography procedure requires sample complexity with only logarithmic dependence on M and d and is sample-optimal for the dependence on K.

Differential privacy (DP)'s effect in medical imaging is typically evaluated only through end-to-end performance, leaving the mechanism of privacy-induced utility loss unclear. We introduce Differential Privacy Representation Geometry for Medical Imaging (DP-RGMI), a framework that interprets DP as a structured transformation of representation space and decomposes performance degradation into encoder geometry and task-head utilization. Geometry is quantified by representation displacement from initialization and spectral effective dimension, while utilization is measured as the gap between linear-probe and end-to-end utility. Across over 594,000 images from four chest X-ray datasets and multiple pretrained initializations, we show that DP is consistently associated with a utilization gap even when linear separability is largely preserved. At the same time, displacement and spectral dimension exhibit non-monotonic, initialization- and dataset-dependent reshaping, indicating that DP alters representation anisotropy rather than uniformly collapsing features. Correlation analysis reveals that the association between end-to-end performance and utilization is robust across datasets but can vary by initialization, while geometric quantities capture additional prior- and dataset-conditioned variation. These findings position DP-RGMI as a reproducible framework for diagnosing privacy-induced failure modes and informing privacy model selection.

Covariance matrices have proven highly effective across many scientific fields. Since these matrices lie within the Symmetric Positive Definite (SPD) manifold - a Riemannian space with intrinsic non-Euclidean geometry, the primary challenge in representation learning is to respect this underlying geometric structure. Drawing inspiration from the success of Euclidean deep learning, researchers have developed neural networks on the SPD manifolds for more faithful covariance embedding learning. A notable advancement in this area is the implementation of Riemannian batch normalization (RBN), which has been shown to improve the performance of SPD network models. Nonetheless, the Riemannian metric beneath the existing RBN might fail to effectively deal with the ill-conditioned SPD matrices (ICSM), undermining the effectiveness of RBN. In contrast, the Bures-Wasserstein metric (BWM) demonstrates superior performance for ill-conditioning. In addition, the recently introduced Generalized BWM (GBWM) parameterizes the vanilla BWM via an SPD matrix, allowing for a more nuanced representation of vibrant geometries of the SPD manifold. Therefore, we propose a novel RBN algorithm based on the GBW geometry, incorporating a learnable metric parameter. Moreover, the deformation of GBWM by matrix power is also introduced to further enhance the representational capacity of GBWM-based RBN. Experimental results on different datasets validate the effectiveness of our proposed method.