Daily Papers

Continuous diffusion language models lag behind autoregressive transformers, partly because diffusion is applied in spaces poorly suited to language denoising and token recovery. We propose DiHAL, a geometry-guided diffusion-transformer hybrid that asks where diffusion should enter a pretrained transformer. DiHAL scores layers with geometry-based proxies, selects a diffusion-friendly hidden-state interface, and replaces the lower transformer prefix with a diffusion bridge while retaining the upper layers and original LM head. By reconstructing the selected-layer hidden state rather than tokens, DiHAL avoids direct continuous-to-discrete recovery. Experiments on 8B-scale backbones show that the geometry score predicts effective shallow insertion layers under a fixed bridge-training protocol and that hidden-state recovery improves over continuous diffusion baselines in a diagnostic comparison matching the diffusion/recovery training budget. These results suggest that hidden-state geometry helps identify where diffusion-based replacement is feasible inside pretrained language models.

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.

A pervasive intuition holds that vision-language models (VLMs) are most trustworthy when their attention maps look sharp: concentrated attention on the queried region should imply a confident, calibrated answer. We test this Attention-Confidence Assumption directly. We instrument three open-weight VLM families (LLaVA-1.5, PaliGemma, Qwen2-VL; 3-7B parameters) with a unified mechanistic pipeline -- the VLM Reliability Probe (VRP) -- that compares attention structure, generation dynamics, and hidden-state geometry against a single correctness label. Three results emerge. (i) Attention structure is a near-zero predictor of correctness (R_pb(C_k,y)=0.001, 95% CI [-0.034,0.036]; R_pb(H_s,y)=-0.012, [-0.047,0.024] on a pooled n=3,090 split), even though attention remains causally necessary for feature extraction (top-30% patch masking drops accuracy by 8.2-11.3 pp, p<0.001). (ii) Reliability becomes legible later in the computation: a single hidden-state linear probe reaches AUROC>0.95 on POPE for two of three families, and self-consistency at K=10 is the strongest behavioral predictor we measure at 10x inference cost (R_pb=0.43). (iii) Causal neuron-level ablations expose a sharp architectural split with direct monitor-design implications: late-fusion LLaVA concentrates reliability in a fragile late bottleneck (-8.3 pp object-identification accuracy after top-5 probe-neuron ablation), whereas early-fusion PaliGemma and Qwen2-VL distribute it widely and absorb destruction of ~50% of their peak-layer hidden dimension with <=1 pp degradation. The takeaway is narrow but consequential: in 3-7B VLMs, reliability is read more reliably off hidden-state geometry, layer-wise margin formation, and sparse late-layer circuits than off attention-map sharpness.

Stepwise group-based RL is an attractive way to train long-horizon LLM agents without a learned critic: it reuses multiple sampled rollouts to estimate local advantages. Its weakness is less visible but more fundamental: every group-relative estimator assumes that the steps it compares are equivalent for credit assignment. We show that current agentic variants violate this assumption through a state-action credit mismatch. The observation-hash partition is overly fine on the state side, creating singleton groups with zero step-level signal, while a single within-group mean is too coarse on the action side, mixing state-value estimation with action-specific credit. We introduce BiPACE (Bisimulation-Guided Policy Optimization with Action Counterfactual Estimation), a drop-in advantage estimator that fixes both sides without adding a critic, auxiliary loss, or extra rollouts. BiGPO clusters steps by cosine distance in the actor's own hidden-state geometry, an empirical policy-induced proxy for bisimulation that substantially lowers the singleton rate left by observation hashing. PACE then recenters returns within each behavioral cluster using action-conditioned peer baselines; its Q-style instance estimates a local Q(s,a)-V(s) nonparametrically. On ALFWorld/Qwen2.5-7B, BiPACE_Q raises overall validation success from GiGPO's 90.8 to 97.1pm0.9 over three seeds, and crosses the 95% threshold on every seed, which GiGPO never does within the same budget. On Qwen2.5-1.5B it reaches 93.5pm1.2 versus GiGPO's 86.7, and on WebShop and TextCraft it improves over GRPO and GiGPO at both model scales. The measured BiPACE-specific overhead is 11.3% of a single training-step wall time. Yet it changes the estimator's comparison unit from surface identity to approximate behavioral equivalence plus action-side counterfactuals. The code is available at https://github.com/TianxiangZhao/BiPACE.

Joint-embedding predictive architectures (JEPAs) propose that a model should learn more useful abstractions when trained to predict latent representations rather than observed outputs. For autoregressive language-model fine-tuning the principle entails a stricter requirement: the induced hidden-state geometry must reach the language-model head and improve the decoded task metric. We test that requirement under a fixed Llama-3.2-1B-Instruct LoRA harness on natural-language-to-regex generation, comparing twenty-two training-time auxiliaries across trajectory-shape regularisation, distributional constraints, predictor/target asymmetry, Fisher-metric Jacobi residuals, and a decoder-visible JEPA objective constructed to lie in cross-entropy's positive cone. The empirical answer is a structured null: several auxiliaries clear single-cell paired α= 0.10 without correction (T3-Local at Δ= +2.53~pp, p = 0.003 being the strongest), but none survives Bonferroni or Holm--Bonferroni at the relevant family-wise threshold, even though many change curvature, anisotropy, variance, and gradient direction. Decoder-visible JEPA yields the first positive auxiliary--cross-entropy gradient cosine in the study, yet exact match remains inside seed noise; a full-fine-tuning replication of the same auxiliary at n = 5 seeds reproduces the null on both benchmarks (TURK: Δ= +0.04~pp, p_{paired} = 0.96; SYNTH: Δ= +0.52~pp, p_{paired} = 0.28), so the null is robust across LoRA and full fine-tuning for the decoder-visible construction. Hidden-state representation work and decoded-task accuracy are therefore weakly coupled in this regime; we accordingly reframe LLM-domain JEPA evaluation as a coupling problem, in which the operative question is under which metrics useful hidden geometry becomes decoder-visible task signal.

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.

Modern Large Language Models (LLMs) rely on extensive safety alignment, yet the mechanistic basis of refusal remains opaque. In this work, we investigate whether safety compliance is a deep semantic decision or a manipulable linear feature. We introduce Contrastive Logit Steering (CLS), a zero-optimization framework that isolates the "refusal direction" by contrasting hidden states derived from safe and unrestricted system prompts. Unlike representation engineering methods that intervene on internal activations, CLS operates directly on the output distribution, serving as a diagnostic probe for alignment fragility. When coupled with prefix injection to bypass initial refusal reflexes, this method induces a phase transition where guardrails collapse. Our experiments on 7 model families reveal that safety implementation is architecturally deterministic. While models like Llama-3.1 exhibit a "Late Decision" topology that is easily bypassed by CLS (reaching 95% ASR in approximately one second), others like Qwen-2.5 demonstrate "Early Divergence" by integrating safety mid-computation. Direct comparison with established activation-level steering methods shows that CLS achieves substantially higher attack success rates on Llama 2 (73% vs. 22.6%) and Qwen 7B (91% vs. 79.2%), demonstrating that logit-level intervention exposes alignment vulnerabilities that hidden-state methods underestimate. Beyond attacks, we show that this linearity enables bidirectional control: inverting the steering vector "hardens" models against jailbreaks without retraining. Our findings suggest that current alignment techniques create a steerable "safety axis" that serves as both a critical vulnerability and a precise primitive for defense.

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.

Alignment tuning is meant to make harmful-request refusal robust, yet this safety behavior can be erased by a small set of benign fine-tuning examples. This is a deployment risk for open-weight models because a checkpoint can pass refusal tests at release time and later lose refusal under low-cost downstream fine-tuning. Prior work has established these refusal failures, but existing studies do not show how to detect this fragility in the aligned model itself before an attack or fine-tuning intervention is run. We introduce Skin-Deep, a geometric diagnostic that detects alignment fragility directly from the aligned model's hidden-state activations before such an intervention is run and compresses the layer-wise safety geometry into a single scalar, the Geometric Fragility Score (GFS). Applied to twenty-one instruction-tuned models spanning six alignment recipes and 3B--32B parameters, Skin-Deep reveals a recurring low-rank safety subspace across model families. Direction ablations show that removing directions in this subspace weakens harmful-request refusal, providing causal evidence that the recovered geometry underlies refusal behavior. Crucially, GFS identifies, before any fine-tuning, the initially safe model that retains the most refusal after small-scale LoRA fine-tuning. These results establish GFS as a practical pre-deployment diagnostic for flagging fragile refusal behavior without running an attack.

A reliable language model should be able to signal, prior to generation, when a query falls outside its knowledge. We investigate whether representation geometry can provide such a pre-generation signal by measuring the deviation of hidden states from an answerable reference set, requiring no labeled failure data and no access to model outputs. Across three instruction-tuned models (Llama 3.1-8B, Qwen 2.5-7B, and Mistral-7B-Instruct) and three prompt forms (Math, Fact, Code), we find that geometry primarily encodes task form. Within mathematical prompts, unanswerable inputs consistently deviate from the answerable centroid, yielding strong separation (ROC-AUC 0.78-0.84). This single-pass pre-generation signal outperforms a simple refusal baseline and compares favorably to self-consistency. It also captures cases where models do not explicitly refuse. In contrast, no reliable geometric signal emerges for factual prompts, indicating that the effect is form-conditional rather than universal. Code prompts show large effect sizes with higher variance, suggesting partial generalization beyond mathematical form. A layer-wise analysis reveals that the signal arises in early layers and gradually attenuates toward the output. These results suggest that answerability-related geometry is established before the final stages of generation. Together, these findings indicate that geometric deviation can serve as a lightweight pre-generation signal that is reliable in structured domains with formal answerability constraints, with clear boundaries on where it generalizes.

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.

Vision-Language-Action (VLA) models leverage powerful perceptual priors from web-scale Vision-Language Model (VLM) pre-training, yet they remain surprisingly brittle in practice, frequently failing at simple robotic tasks. To mitigate this, we propose Contrastive Conceptor Activation Steering (COAST). COAST builds on the notion of a "conceptor", a linear operator that soft-projects data into the principal components of a target distribution. COAST uses conceptors to identify success-critical subspaces for a target robotic task from a few examples of success and failure rollouts. At inference time, it steers VLA latents into these identified success subspaces to improve task outcomes. Across three architecturally distinct neural policies (flow-matching VLA, autoregressive VLA, and Diffusion Policy), COAST improves absolute mean simulation and real-robot task success rate by over 20 and 40% respectively. The activation subspace geometry reveals that failure modes share substantial structure across tasks while success representations remain largely task-specific. When tasks share similar failure modes, this structure enables previously fitted conceptors to improve performance on new tasks without refitting. Ultimately, our results suggest that current VLAs retain substantial task-relevant knowledge in their latent representations, and that the action expert's decoding bottleneck could be mitigated by steering its residual stream toward task-relevant subspaces. COAST provides a lightweight, training-free path to unlocking these latent capabilities by steering the model towards its own "success" distributions.

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).

Existing bias auditing methods typically rely on model outputs, requiring costly benchmarks or judge models and potentially missing internal shifts that never appear in generated text. We propose a reference-based method that audits bias in hidden-state representations across related model variants, for example before and after fine-tuning. Because fine-tuning reshapes representation geometry, absolute hidden states are not directly comparable, so we encode each sentence by its similarities to a fixed set of anchor sentences, yielding relative representations in a shared comparison space. There we measure how target groups shift in their association with positive and negative attributes, a quantity we call the Representational Bias Shift ΔB. Across three model families and the WildGuardMix, DecodingTrust and ToxiGen benchmarks, ΔB correlates with output-level bias change in 15 of the 18 settings we test, reaching |r| = 0.84 (p < 0.001) under full fine-tuning and becoming more model-dependent under parameter-efficient adaptation. Thresholding ΔB detects checkpoints whose bias increased with ROC AUC between 0.65 and 0.99, and on WildGuardMix and DecodingTrust it separates them better than a SEAT-based baseline for all three families. ΔB is also stable under changes to the anchor set, attribute sets and target templates. Our method requires no task-specific evaluation data and audits a model in about three minutes, using 3-50times less compute than the output-level benchmarks considered here. We view it as complementary to output-based auditing rather than a replacement for it.

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.

Linear activation steering has gained popularity as a simple and empirically effective way to control language model behavior. More recently, spherical steering paradigms have been proposed to address limitations of additive interventions, often motivated by the assumption that hidden-state norm does not carry concept-relevant information. In this work, we revisit this assumption through a controlled empirical study designed to disentangle the roles of angular and radial components. We show that steering methods differ mainly in how they couple two geometric effects: changing a token's angular alignment with a concept direction and changing its hidden-state norm. Across seven language models, we find that concepts are represented primarily in angular structure, supporting the motivation for spherical methods, but that norm remains important for the stability and downstream effects of steering. Our results explain why interventions with similar concept-level effects can behave differently, and suggest that activation steering should be parameterized by interpretable angular and radial components of the intervention, rather than by a single additive coefficient that entangles these two effects.

Chain-of-Thought (CoT) improves the reasoning ability of Large Language Models (LLMs) but incurs substantial computation and context costs. Existing methods either lose intermediate information through hard pruning or lack a principled criterion for continuous compression. We present A*-Thought-V2, a geometric dynamics of LLM guided framework that models CoT as a hidden-state trajectory and replaces hard deletion with an explicit-implicit interleaved latent architecture. After projecting question, step, and solution representations into a 3D PCA space, it measures alignment between each local transition and global question-to-solution direction. Aligned steps remain explicit text, whereas deviating steps are compressed into continuous latent tokens. Directional angles capture both local semantics and reasoning dynamics: small angles indicate direct execution and answer formation, while large angles more frequently involve checking, correction, and branch exploration; their temporal variation reveals exploration, convergence, and refinement stages. To train this architecture, we introduce stepwise embedding forcing, which pools each redundant step into a single latent embedding, and label forcing, which supervises that latent token with a soft multi-modal vocabulary distribution instead of a hard one-hot label. Experiments on Qwen3.5-9B and Qwen3.6-27B across six in-domain and out-of-domain benchmarks show that A*-Thought-V2 improves average accuracy by up to 2.6% while reducing response length by up to half, increasing Accuracy per Computation Unit by 2.29times, and reducing preprocessing and training time by 94.6% and up to 80.3%, respectively. Representation analyses suggest that latent states form a compact region distinct from textual states, while higher entropy at latent-token positions reflects broader soft targets that encourage richer step-level feature learning.

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.

Sparse Mixture-of-Experts (SMoE) models enable scaling language models efficiently, but training them remains challenging, as routing can collapse onto few experts and auxiliary load-balancing losses can reduce specialization. Motivated by these hurdles, we study how routing decisions in SMoEs are formed mechanistically. First, we reveal a geometric coupling between routers and their corresponding experts. For a given token, the router weights for the selected expert and the expert weights processing it receive gradients along the same input direction, differing only in scalar coefficients. Thus, matched router--expert directions accumulate the same routed token history. This theoretical coupling also appears empirically in routing dynamics. In a 1B SMoE trained from scratch, higher router scores predict stronger expert neuron activations, showing that routing decisions are mirrored inside the selected expert. Next, we analyze the effects of auxiliary load balancing on the router--expert geometric coupling, showing that such losses break this structure by spreading input-directed gradients across router weights, making distinct router directions nearly three times more similar to each other. Last, we demonstrate the centrality of geometric coupling for effective routing with a parameter-free online K-Means router, in which each expert maintains a running average of the hidden states routed to it and tokens are assigned based on cosine similarity. Compared with auxiliary-loss and loss-free balancing, this router achieves the lowest load imbalance with only a modest perplexity increase, indicating that geometric coupling captures a substantial part of what the router learns. Overall, our results explain how routers form assignment geometry that supports an effective division of labor.

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.

Multimodal retrieval relies heavily on single-vector retrievers, which compress rich, sequential token sequences into one single global representation. While efficient, they discard fine-grained, local evidence critical for dense retrieval tasks. Multi-vector approaches were introduced as a solution, but they strictly require training and many ignore the necessity of a globally summarizing representation. To address this, we introduce SMART, a framework that unlocks the latent multi-vector capabilities of standard single-vector models. We first demonstrate that standard contrastive training on the pooled embedding implicitly shapes the retrieval geometry of preceding hidden states via gradient flow. By applying direct late-interaction over these frozen hidden states during inference, SMART acts as a plug-and-play upgrade that consistently improves performance across diverse modalities, improving even the state-of-the-art models further on MMEB-V2. We also reveal SMART's superior performance, as simple lightweight post-training not only saves time and compute, but also brings forth further improvement on Visual Document retrieval, allowing a single-vector model to outperform SoTA multi-vector counterparts. Ultimately, SMART offers both a highly efficient inference enhancement and a powerful finetuning technique for multimodal retrieval. We open source our code and weights at https://github.com/HanSolo9682/SMART.

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.

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.

A significant gap exists between theory and practice in deep learning. Generalization and approximation error bounds are often derived for simplified models or are too loose to be informative. Many rely on the manifold hypothesis and on geometric regularity such as intrinsic dimension, curvature, and reach. Progress requires insight into data-manifold geometry and suitable benchmarks, yet existing options are polarized: analytic manifolds with known geometry but limited applicability, or real-world datasets where geometry is only coarsely estimable. We introduce a benchmarking framework for studying data geometry. We repurpose and extend dSprites and COIL-20 with additional transformation dimensions and dense, axis-aligned sampling, and pair them with finite-difference estimators that recover curvature, reach, and volume at near-ground-truth accuracy in a regime where general-purpose estimators are unreliable or difficult to deploy. The framework is intended as a controlled testbed, useful as a calibration environment for geometric estimators and a sandbox for probing theoretical assumptions. To illustrate its use, we present two application studies, namely assessing the scaling behavior of the bounds of Genovese et al. and Fefferman et al., and tracking the layer-wise geometry of a β-VAE, highlighting the behavior of current bounds and the value of controlled benchmarks for guiding and validating future theory. A reference implementation is available at https://github.com/koulakis/manifold-microscope.

Residual connections are the de facto mechanism for training deep neural networks stably. Geodesic Normalization (GeoNorm) recasts them on a Riemannian manifold, orthogonalizing each layer output against the current hidden state and applying the resulting update through the Riemannian exponential map. Every hidden state thus keeps a constant ell_{2}-norm, confining the residual stream to a hypersphere. The exponential map, however, is only one member of a broad family of retraction maps. We show that on the hypersphere this entire family collapses to a single scalar design choice. What distinguishes one retraction from another is only how the magnitude of an update is converted into a rotation angle within the plane spanned by the hidden state and the update. This view places Euclidean residual connections and GeoNorm in one framework. Instantiating it with the metric projection retraction and the Cayley retraction yields Proj-SpheretNorm and Cay-SpheretNorm, which are exactly norm-preserving yet require only algebraic operations. Both prove to be members of a one-parameter family of angular retractions, p-SpheretNorm, whose rotation angle saturates rather than growing without bound. The two methods above are recovered exactly at p = 1 and p = 2, while the identity map and GeoNorm arise only as limits at either end. On nanoGPT, all three methods outperform existing lightweight deep connection schemes, and the best validation loss is attained at finite p, indicating that the exponential map is not the preferred retraction for spherical residual streams but merely one end of a spectrum.

Large language models can answer scientific questions, yet a correct output does not reveal whether the model represents or uses the governing physics. Here we show that materials science mechanism information in the open-weight google/gemma-4-E4B-it model has three experimentally separable forms: concepts are readable in individual hidden states, constitutive orientation is carried by controlled transformations between states, and selected internal representations causally control engineering answers. We combine matched direct and Jacobian vocabulary readouts, option-free state geometry, a 60-law counterfactual benchmark and causal interventions. In 50 held-out materials descriptions, three independently fitted Jacobian lenses reproduced concept ranks, and target-free word sets from both readouts enabled blinded identification of 9 of 10 mechanism families. A separate 72-prompt benchmark produced mechanism-specific hidden-state neighborhoods, but an exact graph audit showed that this apparent physical organization was equally explained by numerical comparison. We therefore compared otherwise identical prompts in which only the direction of the physical input was reversed, asking whether the resulting hidden-state movement followed the supplied constitutive law. These state transformations ordered direct, physically neutral and inverse laws across 60 frozen relations and correctly oriented 39 of 40 directional laws, whereas lexical controls were near chance. Bidirectional interventions shifted answer probabilities toward or away from the physically appropriate outcome across all 12 matched cases, while counterfactual state patches transferred opposing decision signals across mechanisms and answer formats. Physical relationships were therefore more visible in controlled state changes than in absolute states alone.

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.

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.

Recent advances in generative models highlight the power of geometry-aware modeling in manifold-constrained settings. Yet, for natural images, the field remains confined to Euclidean assumptions, failing to exploit the potential of intrinsic geometric structures within the data. In this work, we investigate the geometry of natural images and observe that semantic information is predominantly encoded in directional components, while norm components can be approximated by the global average. This property holds across both RGB and latent spaces, suggesting that natural images can be effectively modeled on a hypersphere. Building on this finding, we introduce Spherical Optimal Transport Flow Matching (SOT-CFM), which utilizes angular distance, and Spherical Flow Matching (SFM), which constrains dynamics directly on the manifold. Our experiments demonstrate that these geometry-aware methods achieve superior performance against Euclidean baselines. Ultimately, this work provides a novel perspective that bridges the gap between Riemannian manifold-based modeling and natural image generation.

Language models learn continuous programs over discrete symbols, with the embedding table and LM-head acting as the read/write interface between them. We show that this interface has gradient geometry distinct from dense hidden weights which can be exploited to improve the Pareto frontier across supervised finetuning, RL, and pretraining, while only utilizing kilobytes of optimizer state. We introduce Ember, a lightweight optimizer for embedding and LM-head matrices that utilizes O(V + D) VRAM, instead of Adam's O(2VD), and forgoes the need to shard both token table optimizer states. We provide empirical evidence that Ember scales effectively across batch size and parameter count. We show that the optimization trajectory of tokens can be well described by a simple 1D ray, counter to the popular belief that neural net parameters navigate a heavily nonconvex landscape. We provide a principled view on the surprisingly narrow space of optimizers that suffice for Transformer training. Finally, we open-source our distributed Ember implementation that merges cleanly with existing ZeRO/FSDP setups to support further research at https://github.com/katop1234/ember

In a graph convolutional network, we assume that the graph G is generated wrt some observation noise. During learning, we make small random perturbations ΔG of the graph and try to improve generalization. Based on quantum information geometry, ΔG can be characterized by the eigendecomposition of the graph Laplacian matrix. We try to minimize the loss wrt the perturbed G+Δ{G} while making Δ{G} to be effective in terms of the Fisher information of the neural network. Our proposed model can consistently improve graph convolutional networks on semi-supervised node classification tasks with reasonable computational overhead. We present three different geometries on the manifold of graphs: the intrinsic geometry measures the information theoretic dynamics of a graph; the extrinsic geometry characterizes how such dynamics can affect externally a graph neural network; the embedding geometry is for measuring node embeddings. These new analytical tools are useful in developing a good understanding of graph neural networks and fostering new techniques.

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.

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.

Large Language Models exhibit paradoxical fragility in fundamental arithmetic, implying a disconnect between internal computation and discrete output. By analyzing the residual stream geometry during multi-operand addition, we identify the Iso-Raw-Sum Trajectory (IRST), a geometric structure where representations are anchored by semantic digits and modulated by continuous carry fibers. We propose the Noisy Quantization Model to explain this geometry, framing arithmetic errors as Geometric Slippages caused by internal neural noise pushing a continuous, latent Carry Potential across quantization thresholds. This geometric framework further elucidates Probe Versatility, explaining how lightweight probes can disentangle coexisting latent signals (such as ground truth versus hallucination) from a single activation vector. Finally, we validate these insights through a geometric consistency check method that effectively detects and corrects these quantization failures during inference. Our code is available at https://github.com/RL-MIND/Shape-of-Addition.

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.

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.

A defining feature of human intelligence is the ability to adapt to changing environments by inferring latent task structure from sparse observations. Neuroscientific research indicates that this capability relies on the hippocampus constructing abstract representations, expressed as low-dimensional, approximately orthogonal manifolds in neural state space. However, the internal mechanisms of large language models (LLMs) remain largely opaque, making it unclear whether they form comparable abstract representations or instead rely on task-specific statistical regularities when performing comparable reasoning tasks. Here we adapt a contextual reversal-learning paradigm to a text-based setting and compare humans and LLMs at both the Behavioural and representational levels. We report that although LLMs exhibit generalizable reasoning less frequently than humans, when such inference occurs, their internal states exhibit abstract geometric structures that resemble those reported in the hippocampus. Notably, this representational geometry is not uniformly distributed but is organized hierarchically across model depth: whereas lower layers show early, stable encoding of stimulus identity, higher layers form a hippocampal-like functional band enriched for abstract context geometry associated with inference. Furthermore, complementary intervention experiments mechanistically implicate geometry in reasoning: task-sequence language modelling induces geometric disentanglement, whereas geometric regularization of higher layers increases the emergence of generalizable inference. Together, these findings establish abstract representational geometry as a mechanistic principle supporting inference in large language models.

Vision-language pre-trained models (VLPs) are widely used in real-world applications. However, they remain vulnerable to adversarial attacks. Although adversarial detection methods have demonstrated success in single-modality settings (either vision or language), their effectiveness and reliability in multimodal models such as VLPs remain largely unexplored. In this work, we study the geometry of VLP embedding spaces and observe structured anisotropy that differs from unimodal vision models. Our theoretical analysis shows that under this anisotropic structure, adversarial attacks increase the expected geometric separation between clean and adversarial examples (AEs). Specifically, we demonstrate that AEs consistently exhibit greater expected distances to randomly sampled points than their clean counterparts, indicating that AEs tend to push representations out of manifold regions. Building on these insights, we propose GeoDetect, which leverages these off-manifold deviations via geometric scores to identify AEs. Through comprehensive evaluations, we show that our approach reliably detects AEs across diverse VLP architectures and threat settings, covering unimodal and multimodal attacks as well as adaptive attacks, thereby providing a robust and practical approach to improving the safety and reliability of these models.

Conformal symmetries, i.e.\ coordinate transformations that preserve angles, play a key role in many fields, including physics, mathematics, computer vision and (geometric) machine learning. Here we build a neural network that is equivariant under general conformal transformations. To achieve this, we lift data from flat Euclidean space to Anti de Sitter (AdS) space. This allows us to exploit a known correspondence between conformal transformations of flat space and isometric transformations on the AdS space. We then build upon the fact that such isometric transformations have been extensively studied on general geometries in the geometric deep learning literature. We employ message-passing layers conditioned on the proper distance, yielding a computationally efficient framework. We validate our model on tasks from computer vision and statistical physics, demonstrating strong performance, improved generalization capacities, and the ability to extract conformal data such as scaling dimensions from the trained network.

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

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.

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.

Neural representations carry rich geometric structure; but does that structure causally shape behavior? To address this question, we intervene along paths through activation space defined by different geometries, and measure the behavioral trajectories they induce. In particular, we test whether interventions that respect the geometry of activation space will yield behaviors close to those the model exhibits naturally. Concretely, we first fit an activation manifold M_h to representations and a behavior manifold M_y to output probability distributions. We then test the link M_h leftrightarrow M_y via interventions: we find that steering along M_h, which we term manifold steering, yields behavioral trajectories that follow M_y, while linear steering -- which assumes a Euclidean geometry -- cuts through off-manifold regions and hence produces unnatural outputs. Moreover, optimizing interventions in activation space to produce paths along M_y recovers activation trajectories that trace the curvature of M_h. We demonstrate this bidirectional relationship between the geometry of representation and behavior across tasks and modalities. In language models, we use reasoning tasks with cyclic and sequential geometries as well as in-context learning tasks with more complex graph geometries. In a video world model, we use a task with geometry corresponding to physical dynamics. Overall, our work shows that geometry in neural representation is not merely incidental, but is in fact the proper object for enabling principled control via intervention on internals. This recasts the core problem of steering from finding the right direction to finding the right geometry.

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.

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.

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.

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.

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.

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.

While decision-based black-box adversarial attacks present a severe security threat, current methodologies suffer from fundamental limitations. Pixel-wise attacks frequently introduce unnatural, high-frequency visual artifacts, while latent-space frameworks are confined by the limited search space of low-dimensional manifolds and inherent reconstruction flaws. To resolve these limitations, we propose Latent Geometric Chords (LGC) for Query-Efficient Decision-Based Adversarial Attacks alongside a variant, LGC-H. At its core, LGC navigates decision boundaries by executing a curvature-aware geometric search within a compressed semantic manifold. To guarantee high visual fidelity and circumvent dimensionality bottlenecks, we introduce a Residual-based Adversarial Generation (RAG) mechanism. RAG isolates semantic perturbations as geometric chords and superimposes them directly onto the original source image. RAG substantially resolves baseline reconstruction flaws and effectively doubles the permissible search space dimensions. Experimental results demonstrate that LGC achieves robust cross-dataset transferability and substantially outperforms state-of-the-art baselines. Notably, our method, LGC, minimizes perturbation magnitudes while achieving state-of-the-art visual fidelity--with a Structural Similarity Index Measure (SSIM) exceeding 0.99 and a Learned Perceptual Image Patch Similarity (LPIPS) below 0.01 at 5000 queries--and sustaining high attack success rates under stringent perceptual constraints, successfully compromising adversarially trained robust models. The source code is available at: https://github.com/eihmuekhine/Latent-Geometric-Chords.

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.

Geometric foundation models, such as the Visual Geometry Grounded Transformer (VGGT), provide strong 3D priors from unposed images. However, such models operate purely in a feed-forward, deterministic regime, \ie~they cannot generate plausible geometry beyond what the input views directly support. Generative models for 3D scenes, on the other hand, must rely on strong geometric priors to produce coherent outputs from sparse inputs. We bridge these two paradigms by performing flow matching directly in VGGT's latent space, leveraging its learned 3D priors without committing to any explicit downstream representation such as Gaussians, meshes, or video-VAE latents. This requires respecting the latent geometry: VGGT tokens occupy a product of high-dimensional hyperspheres on which standard Euclidean flow matching fails. We address this with a Riemannian Flow Matching framework defined on a product manifold of four hyperspheres, aligned with VGGT's multi-scale encoder, which keeps generated tokens on the valid data manifold required by the frozen decoding heads. On RealEstate10K, ScanNet++ and ETH3D, our method achieves strong performance against recent scene generation baselines in both per-view appearance and aggregated 3D geometry, establishing latent-space flow matching on geometric foundation models as a viable paradigm for 3D generation. The project page can be found https://lisaweijler.github.io/geometry-grounded-rfm/{here}.

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.

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.

We present a continuous geometric framework that models the discrete algebraic operations of the Transformer architecture as an integro-differential equation (IDE) on a semantic fiber bundle calE = calM times R^d. Beginning from a single geometric axiom -- that the token sequence forms a discrete 1-manifold equipped with a canonical measure lattice -- we translate every core component of the modern Transformer (RMSNorm, RoPE, Softmax Attention, FFN, Residual Stream, SGD, Weight Decay) into a cohesive vocabulary of differential geometry, measure theory, and stochastic calculus. The resulting framework yields quantitative predictions spanning entropic optimal transport (Attention as a Schrödinger bridge) and non-equilibrium thermodynamics (SGD as Itô diffusion violating detailed balance). We conduct a six-part experimental campaign across five architectures (Qwen3, LLaMA\nobreakdash-3.1, Gemma\nobreakdash-3, GPT-2, Mistral) spanning 124M to 8B parameters. The empirical observables are quantitatively consistent with the geometric predictions: the ε^{-1/2} Lipschitz scaling calibration at machine precision (R^2 = 1.000), the Lie--Trotter operator-splitting torsion, the symmetric ablation instability confirming the Dual-Law of Topological Stability, the calO(1/k) thermodynamic suppression of Poincaré recurrence on the RoPE torus, the thermodynamic context-limit phase transition, and the Non-Equilibrium Steady State parameter vortex -- verified across two optimizers (AdamW and Pure SGD) to exclude momentum artifacts. The results demonstrate that analyzing Transformers through the lens of continuous stochastic differential geometry provides a predictive descriptive vocabulary for the stability limits, context bounds, and optimization dynamics of Large Language Models.

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.

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.

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.

What is the geometry of a visual percept? The most widely used protocols for decomposing neural network representations into interpretable parts treat concepts as isolated directions, yet recent work shows that concepts are often realized as geometric structures in low dimensional regions of activation space. We turn to the literature of Structured sparsity to close this gap, and show that block sparsity, which groups directions into blocks, is the prior matched to a generative model in which a representation is a sparse sum of low-dimensional manifolds: the modern, learned form of a classical idea in visual neuroscience, where a visual feature is carried by a coordinated group of neurons rather than a single tuned one. We implement three variants of block-sparse featurizers (BSFs) and, through a minimum-description-length analysis, show that all three describe activations more compactly than direction-based featurizers, with the recovered concepts typically two- to four-dimensional. We then use BSFs to (i) recontextualize prior work, showing that curve detectors in InceptionV1 actually read from a single continuous curve manifold, (ii) discover novel manifolds including shadows and lighting in DINOv3, and (iii) support interpretable control of image generation in diffusion models (SDXL) via manifold steering.

Reasoning-trained language models often spend more tokens on harder problems, but longer chains of thought do not show whether a model is merely computing for more steps or following a different internal trajectory. We study this distinction through hidden-state trajectories during chain-of-thought generation across competitive programming, mathematics, and Boolean satisfiability. Raw trajectory geometry is strongly shaped by generation length: longer generations mechanically alter path statistics, so difficulty-dependent comparisons are misleading without adjustment. After residualizing trajectory statistics on length, difficulty remains systematically coupled to corrected trajectory geometry across all domains studied. The clearest reasoning-specific separation appears in the code domain, where harder problems show more direct corrected trajectories and less heterogeneous local curvature in reasoning-trained models than in matched instruction-tuned baselines. Corrected difficulty-geometry coupling is weaker, but still present, in mathematics and Boolean satisfiability. Prompt-stage linear probes do not mirror the code-domain separation, and behavioral annotations show that stronger corrected coupling co-occurs with strategy shifts and uncertainty monitoring. Together, these findings establish length correction as a prerequisite for generation-time trajectory analysis and show that reasoning training can be associated with distinct corrected trajectory geometry, with the strength of the effect depending on the domain.

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.

Since Isaac Newton first studied the Kissing Number Problem in 1694, determining the maximal number of non-overlapping spheres around a central sphere has remained a fundamental challenge. This problem is the local analogue of Hilbert's 18th problem, bridging geometry, number theory, and information theory. Although significant progress has been made through lattices and codes, the irregularities of high-dimensional geometry, dimensional structure variability, and combinatorial explosion beyond Go limit the scalability and generality of existing methods. Here we model the problem as a two-player matrix completion game and train the reinforcement learning system, PackingStar, to play the games. The matrix entries represent pairwise cosines of sphere center vectors. One player fills entries while another corrects suboptimal ones to improve exploration quality, cooperatively maximizing the matrix size, corresponding to the kissing number. These matrices are decomposed into representative substructures, providing diverse bases and structural constraints that steer subsequent games and make extremely large spaces tractable. PackingStar surpasses records from dimensions 25 to 31 and sets new lower bounds for generalized kissing numbers under various angular constraints. It achieves the first breakthrough beyond rational structures from 1971 in 13 dimensions and discovers over 6000 new structures in other dimensions. Notably, some configurations challenge long-held antipodal paradigms, revealing algebraic correspondences with finite simple groups as well as geometric relationships across dimensions. Inspired by these patterns, humans devised further improved constructions. These results demonstrate AI's power to explore high-dimensional spaces beyond human intuition via extreme-scale reinforcement learning and open new pathways for the Kissing Number Problem and broader geometry research.

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.

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.

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.

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.

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.

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.

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.

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.

We present MoGe, a powerful model for recovering 3D geometry from monocular open-domain images. Given a single image, our model directly predicts a 3D point map of the captured scene with an affine-invariant representation, which is agnostic to true global scale and shift. This new representation precludes ambiguous supervision in training and facilitate effective geometry learning. Furthermore, we propose a set of novel global and local geometry supervisions that empower the model to learn high-quality geometry. These include a robust, optimal, and efficient point cloud alignment solver for accurate global shape learning, and a multi-scale local geometry loss promoting precise local geometry supervision. We train our model on a large, mixed dataset and demonstrate its strong generalizability and high accuracy. In our comprehensive evaluation on diverse unseen datasets, our model significantly outperforms state-of-the-art methods across all tasks, including monocular estimation of 3D point map, depth map, and camera field of view. Code and models can be found on our project page.

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.

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 introduce `dualGNN', an autoregressive message-passing GNN for sampling fine, regular triangulations (FRTs) of convex polytopes. dualGNN operates on a generalization of the dual graph of a triangulation, with edges labeled by `signed circuits' -- combinatorial invariants from oriented matroid theory which we show are both necessary and sufficient for exposing regularity. The model is independent of the number of points in the polytope and invariant under the polytope's orientation-preserving symmetries (SL(d,Z) ltimes Z^d). When implemented with a certain masking procedure, one can also guarantee that every rollout produces a fine triangulation (in 2D). On unseen polygons with N_pts leq 40, dualGNN is the most uniform FRT sampler we tested, and even a model trained on a single polygon generalizes well to other polygons. The model is small (sim92k parameters), trains in sim7.5 hours on a single consumer GPU, and runs without modification on an M1 MacBook Pro. We apply dualGNN to string theory, uniformly sampling Calabi-Yau threefolds at h^{1,1}=86 and consistent with uniformity at h^{1,1}=128. This is an order of magnitude beyond previous learned methods with a model sim1000times smaller. Code, training scripts, and pretrained models are available at https://github.com/natemacfadden/dualGNN .

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.

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.

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking into consideration those geometrical aspects can lead to better interpolations and an improved generation procedure. This new proposed sampling method consists in sampling from the uniform distribution deriving intrinsically from the learned Riemannian latent space and we show that using this scheme can make a vanilla VAE competitive and even better than more advanced versions on several benchmark datasets. Since generative models are known to be sensitive to the number of training samples we also stress the method's robustness in the low data regime.

We present NoReGeo, a novel benchmark designed to evaluate the intrinsic geometric understanding of large language models (LLMs) without relying on reasoning or algebraic computation. Unlike existing benchmarks that primarily assess models' proficiency in reasoning-based geometry-where solutions are derived using algebraic methods-NoReGeo focuses on evaluating whether LLMs can inherently encode spatial relationships and recognize geometric properties directly. Our benchmark comprises 2,500 trivial geometric problems spanning 25 categories, each carefully crafted to be solvable purely through native geometric understanding, assuming known object locations. We assess a range of state-of-the-art models on NoReGeo, including frontier models like GPT-4, observing that even the most advanced systems achieve an overall maximum of 65% accuracy in binary classification tasks. Further, our ablation experiments demonstrate that such geometric understanding does not emerge through fine-tuning alone, indicating that effective training for geometric comprehension requires a specialized approach from the outset. Our findings highlight a significant gap in current LLMs' ability to natively grasp geometric concepts, providing a foundation for future research toward models with true geometric cognition.

The gradients of convex functions are expressive models of non-trivial vector fields. For example, Brenier's theorem yields that the optimal transport map between any two measures on Euclidean space under the squared distance is realized as a convex gradient, which is a key insight used in recent generative flow models. In this paper, we study how to model convex gradients by integrating a Jacobian-vector product parameterized by a neural network, which we call the Input Convex Gradient Network (ICGN). We theoretically study ICGNs and compare them to taking the gradient of an Input-Convex Neural Network (ICNN), empirically demonstrating that a single layer ICGN can fit a toy example better than a single layer ICNN. Lastly, we explore extensions to deeper networks and connections to constructions from Riemannian geometry.

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

The Laplace-Beltrami operator (LBO) emerges from studying manifolds equipped with a Riemannian metric. It is often called the Swiss army knife of geometry processing as it allows to capture intrinsic shape information and gives rise to heat diffusion, geodesic distances, and a multitude of shape descriptors. It also plays a central role in geometric deep learning. In this work, we explore Finsler manifolds as a generalization of Riemannian manifolds. We revisit the Finsler heat equation and derive a Finsler heat kernel and a Finsler-Laplace-Beltrami Operator (FLBO): a novel theoretically justified anisotropic Laplace-Beltrami operator (ALBO). In experimental evaluations we demonstrate that the proposed FLBO is a valuable alternative to the traditional Riemannian-based LBO and ALBOs for spatial filtering and shape correspondence estimation. We hope that the proposed Finsler heat kernel and the FLBO will inspire further exploration of Finsler geometry in the computer vision community.

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.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's theoretical advantages of optimization stability, convergence speed and generalization performance.

Deep Neural Networks are highly susceptible to shortcut learning, frequently memorizing low-dimensional spurious correlations instead of underlying causal mechanisms. This phenomenon not only degrades out-of-distribution robustness but also induces severe demographic biases in sensitive applications. In this paper, we propose a geometric a priori methodology to mitigate shortcut learning. By deploying a zero-hidden-layer (N=1) Topological Auditor, we mathematically isolate features that monopolize the gradient without human intervention. We empirically demonstrate a Capacity Phase Transition: once linear shortcuts are pruned, networks are forced to utilize higher geometric capacity (N geq 16) to curve the decision boundary and learn ethical representations. Our approach outperforms L1 Regularization -- which collapses into demographic bias -- and operates at a fraction of the computational cost of post-hoc methods like Just Train Twice (JTT), successfully reducing counterfactual gender vulnerability from 21.18\% to 7.66\%.

Contrastive learning and Siamese embedding models have become the foundation of modern verification systems, where decisions are governed not by discrete classification boundaries, but by relational geometry in embedding space. However, existing adversarial attacks remain fundamentally classification-centric, overlooking the vulnerability of relational geometry. In this paper, we introduce a geometry-aware adversarial attack framework that reformulates attacks on contrastive systems as manifold-level relational corruption. Instead of targeting individual predictions, the proposed framework systematically distorts similarity organization within the embedding manifold by pushing positive pairs apart while simultaneously pulling negative pairs closer, ultimately collapsing and inverting pairwise similarity structure. To enable scalable deployment, we shift iterative online optimization into an offline adversarial geometry deformation prior learning stage and train a lightweight feed-forward generator that learns generalized geometry deformation patterns from the victim model. Once trained, the generator produces adversarial perturbations through a single forward pass without requiring online gradient computation, enabling real-time online attacks against similarity-based verification systems. Experimental results across multiple verification architectures demonstrate substantial degradation of verification performance together with severe manifold-level relational corruption. On the Markmatch verification system, the proposed attack reduces accuracy from 95.4% to 38.6% while completely reversing the positive-negative similarity structure.

Finding meaningful representations and distances of hierarchical data is important in many fields. This paper presents a new method for hierarchical data embedding and distance. Our method relies on combining diffusion geometry, a central approach to manifold learning, and hyperbolic geometry. Specifically, using diffusion geometry, we build multi-scale densities on the data, aimed to reveal their hierarchical structure, and then embed them into a product of hyperbolic spaces. We show theoretically that our embedding and distance recover the underlying hierarchical structure. In addition, we demonstrate the efficacy of the proposed method and its advantages compared to existing methods on graph embedding benchmarks and hierarchical datasets.

Faithful visualizations of data residing on manifolds must take the underlying geometry into account when producing a flat planar view of the data. In this paper, we extend the classic stochastic neighbor embedding (SNE) algorithm to data on general Riemannian manifolds. We replace standard Gaussian assumptions with Riemannian diffusion counterparts and propose an efficient approximation that only requires access to calculations of Riemannian distances and volumes. We demonstrate that the approach also allows for mapping data from one manifold to another, e.g. from a high-dimensional sphere to a low-dimensional one.

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.

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/}

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 .

Large language models learn similar behaviours, yet it remains unclear what structure they share or how to change one behaviour without disturbing others. The Fisher-Rao geometry of next-token probabilities connects these questions: behaviour determines this geometry up to output-preserving symmetries, whereas activation geometry depends on coordinates. Across transformer, state-space and recurrent models, output geometries agree more strongly than activation geometries, and shared geometry supports semantic-category transfer. Agreement with human word choices increases with predictive accuracy, scale and training, and improves further after model-only calibration. Token probabilities and read-out geometry jointly predict the spectrum and its effective dimension. Controlled language assignments show that geometry follows the language law across architectures. Pretraining corpus statistics predict held-out fact acquisition without recalibration, while randomised experiments show that deeper evidence substantially delays acquisition across every tested architecture and evidence construction. Finally, the geometry prescribes minimum-disturbance local interventions, predicts their relative cost, and supports reusable control: updates learned on donor prompts transfer to unseen prompts while better preserving behaviour on reference prompts than Euclidean control. The same geometric correction improves steering, editing, attribution, dictionary learning and fine-tuning.

Design of neural networks that incorporate symmetry is crucial for geometric deep learning. Central to this effort is the development of invariant and equivariant operations. This works presents a systematic method for constructing valid invariant and equivariant operations. It can handle inputs and outputs in the form of Cartesian tensors with different rank, as well as spherical tensors with different types. In addition, our method features a graphical representation utilizing the symmetric tensor network, which simplifies both the proofs and constructions related to invariant and equivariant functions. We also apply this approach to design the equivariant interaction message for the geometry graph neural network, and equivariant machine learning model to learn the constitutive law of materials.

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often involve the absence of shape parametrization during the inference stage, leaving us with only mesh discretizations as available data. Learning simulations from such mesh-based representations poses significant challenges, with recent advances relying heavily on deep graph neural networks to overcome the limitations of conventional machine learning approaches. Despite their promising results, graph neural networks exhibit certain drawbacks, including their dependency on extensive datasets and limitations in providing built-in predictive uncertainties or handling large meshes. In this work, we propose a machine learning method that do not rely on graph neural networks. Complex geometrical shapes and variations with fixed topology are dealt with using well-known mesh morphing onto a common support, combined with classical dimensionality reduction techniques and Gaussian processes. The proposed methodology can easily deal with large meshes without the need for explicit shape parameterization and provides crucial predictive uncertainties, which are essential for informed decision-making. In the considered numerical experiments, the proposed method is competitive with respect to existing graph neural networks, regarding training efficiency and accuracy of the predictions.

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.

Recent works in geometric deep learning have introduced neural networks that allow performing inference tasks on three-dimensional geometric data by defining convolution, and sometimes pooling, operations on triangle meshes. These methods, however, either consider the input mesh as a graph, and do not exploit specific geometric properties of meshes for feature aggregation and downsampling, or are specialized for meshes, but rely on a rigid definition of convolution that does not properly capture the local topology of the mesh. We propose a method that combines the advantages of both types of approaches, while addressing their limitations: we extend a primal-dual framework drawn from the graph-neural-network literature to triangle meshes, and define convolutions on two types of graphs constructed from an input mesh. Our method takes features for both edges and faces of a 3D mesh as input and dynamically aggregates them using an attention mechanism. At the same time, we introduce a pooling operation with a precise geometric interpretation, that allows handling variations in the mesh connectivity by clustering mesh faces in a task-driven fashion. We provide theoretical insights of our approach using tools from the mesh-simplification literature. In addition, we validate experimentally our method in the tasks of shape classification and shape segmentation, where we obtain comparable or superior performance to the state of the art.

Does text have an intrinsic curvature? Language is increasingly modeled in curved geometries - hyperbolic spaces for hierarchy, mixed-curvature manifolds for compositional structure - yet a basic scientific question remains unresolved: what does curvature mean for text itself, in a way that is native to language rather than an artifact of the embedding space we choose? We argue that text does indeed have curvature, and show how to detect it, define it, and use it. To this end, we propose Texture, a text-native, word-level discrete curvature signal, and make three contributions. (a) Existence: We provide empirical and theoretical certificates that semantic inference in natural corpora is non-flat, i.e. language has inherent curvature. (b) Definition: We define Texture by reconciling left- and right-context beliefs around a masked word through a Schrodinger bridge, yielding a curvature field that is positive where context focuses meaning and negative where it fans out into competing continuations. (c) Utility: Texture is actionable: it serves as a general-purpose measurement and control primitive enabling geometry without geometric training; we instantiate it on two representative tasks, improving long-context inference through curvature-guided compression and retrieval-augmented generation through curvature-guided routing. Together, our results establish a text-native curvature paradigm, making curvature measurable and practically useful.

The Strong Platonic Representation Hypothesis suggests that representational convergence in artificial neural networks can be harnessed constructively: embeddings can be translated across models through a universal latent space without paired data. We ask whether an analogous geometry can be recovered across human brains. Using fMRI data from the Natural Scenes Dataset, we propose a self-supervised encoder that learns subject-specific embeddings from brain data alone by exploiting repeated stimulus presentations. We show that these independently learned spaces can be translated across subjects using unsupervised orthogonal rotations, without paired cross-subject samples or intermediate model representations. Synchronizing pairwise rotations into a single shared latent space further improves cross-subject retrieval, indicating that subject-specific spaces are mutually compatible with a common coordinate system. These results provide evidence for a shared neural geometry in the human visual cortex: subject-specific fMRI representations are approximately isometric across individuals and can be translated through purely geometric transformations.

A Sheaf Neural Network (SNN) is a type of Graph Neural Network (GNN) that operates on a sheaf, an object that equips a graph with vector spaces over its nodes and edges and linear maps between these spaces. SNNs have been shown to have useful theoretical properties that help tackle issues arising from heterophily and over-smoothing. One complication intrinsic to these models is finding a good sheaf for the task to be solved. Previous works proposed two diametrically opposed approaches: manually constructing the sheaf based on domain knowledge and learning the sheaf end-to-end using gradient-based methods. However, domain knowledge is often insufficient, while learning a sheaf could lead to overfitting and significant computational overhead. In this work, we propose a novel way of computing sheaves drawing inspiration from Riemannian geometry: we leverage the manifold assumption to compute manifold-and-graph-aware orthogonal maps, which optimally align the tangent spaces of neighbouring data points. We show that this approach achieves promising results with less computational overhead when compared to previous SNN models. Overall, this work provides an interesting connection between algebraic topology and differential geometry, and we hope that it will spark future research in this direction.

Despite their success, modern convolutional neural networks (CNNs) exhibit fundamental limitations, including data inefficiency, poor out-of-distribution generalization, and vulnerability to adversarial perturbations. These shortcomings can be traced to a lack of inductive biases that reflect the inherent geometric structure of the visual world. The primate visual system, in contrast, demonstrates superior efficiency and robustness, suggesting that its architectural and computational principles,which evolved to internalize these structures,may offer a blueprint for more capable artificial vision. This paper introduces Visual Cortex Network (VCNet), a novel neural network architecture whose design is informed by the macro-scale organization of the primate visual cortex. VCNet is framed as a geometric framework that emulates key biological mechanisms, including hierarchical processing across distinct cortical areas, dual-stream information segregation for learning disentangled representations, and top-down predictive feedback for representation refinement. We interpret these mechanisms through the lens of geometry and dynamical systems, positing that they guide the learning of structured, low-dimensional neural manifolds. We evaluate VCNet on two specialized benchmarks: the Spots-10 animal pattern dataset, which probes sensitivity to natural textures, and a light field image classification task, which requires processing higher-dimensional visual data. Our results show that VCNet achieves state-of-the-art accuracy of 92.1\% on Spots-10 and 74.4\% on the light field dataset, surpassing contemporary models of comparable size. This work demonstrates that integrating high-level neuroscientific principles, viewed through a geometric lens, can lead to more efficient and robust models, providing a promising direction for addressing long-standing challenges in machine learning.