Daily Papers

Dynamic objects in our physical 4D (3D + time) world are constantly evolving, deforming, and interacting with other objects, leading to diverse 4D scene dynamics. In this paper, we present a universal generative pipeline, CHORD, for CHOReographing Dynamic objects and scenes and synthesizing this type of phenomena. Traditional rule-based graphics pipelines to create these dynamics are based on category-specific heuristics, yet are labor-intensive and not scalable. Recent learning-based methods typically demand large-scale datasets, which may not cover all object categories in interest. Our approach instead inherits the universality from the video generative models by proposing a distillation-based pipeline to extract the rich Lagrangian motion information hidden in the Eulerian representations of 2D videos. Our method is universal, versatile, and category-agnostic. We demonstrate its effectiveness by conducting experiments to generate a diverse range of multi-body 4D dynamics, show its advantage compared to existing methods, and demonstrate its applicability in generating robotics manipulation policies. Project page: https://yanzhelyu.github.io/chord

We present MovingParts, a NeRF-based method for dynamic scene reconstruction and part discovery. We consider motion as an important cue for identifying parts, that all particles on the same part share the common motion pattern. From the perspective of fluid simulation, existing deformation-based methods for dynamic NeRF can be seen as parameterizing the scene motion under the Eulerian view, i.e., focusing on specific locations in space through which the fluid flows as time passes. However, it is intractable to extract the motion of constituting objects or parts using the Eulerian view representation. In this work, we introduce the dual Lagrangian view and enforce representations under the Eulerian/Lagrangian views to be cycle-consistent. Under the Lagrangian view, we parameterize the scene motion by tracking the trajectory of particles on objects. The Lagrangian view makes it convenient to discover parts by factorizing the scene motion as a composition of part-level rigid motions. Experimentally, our method can achieve fast and high-quality dynamic scene reconstruction from even a single moving camera, and the induced part-based representation allows direct applications of part tracking, animation, 3D scene editing, etc.

In neural networks, it is often desirable to work with various representations of the same space. For example, 3D rotations can be represented with quaternions or Euler angles. In this paper, we advance a definition of a continuous representation, which can be helpful for training deep neural networks. We relate this to topological concepts such as homeomorphism and embedding. We then investigate what are continuous and discontinuous representations for 2D, 3D, and n-dimensional rotations. We demonstrate that for 3D rotations, all representations are discontinuous in the real Euclidean spaces of four or fewer dimensions. Thus, widely used representations such as quaternions and Euler angles are discontinuous and difficult for neural networks to learn. We show that the 3D rotations have continuous representations in 5D and 6D, which are more suitable for learning. We also present continuous representations for the general case of the n-dimensional rotation group SO(n). While our main focus is on rotations, we also show that our constructions apply to other groups such as the orthogonal group and similarity transforms. We finally present empirical results, which show that our continuous rotation representations outperform discontinuous ones for several practical problems in graphics and vision, including a simple autoencoder sanity test, a rotation estimator for 3D point clouds, and an inverse kinematics solver for 3D human poses.

Accurately predicting the future fluid is important to extensive areas, such as meteorology, oceanology and aerodynamics. However, since the fluid is usually observed from an Eulerian perspective, its active and intricate dynamics are seriously obscured and confounded in static grids, bringing horny challenges to the prediction. This paper introduces a new Lagrangian-guided paradigm to tackle the tanglesome fluid dynamics. Instead of solely predicting the future based on Eulerian observations, we propose the Eulerian-Lagrangian Dual Recurrent Network (EuLagNet), which captures multiscale fluid dynamics by tracking movements of adaptively sampled key particles on multiple scales and integrating dynamics information over time. Concretely, a EuLag Block is presented to communicate the learned Eulerian and Lagrangian features at each moment and scale, where the motion of tracked particles is inferred from Eulerian observations and their accumulated dynamics information is incorporated into Eulerian fields to guide future prediction. Tracking key particles not only provides a clear and interpretable clue for fluid dynamics but also makes our model free from modeling complex correlations among massive grids for better efficiency. Experimentally, EuLagNet excels in three challenging fluid prediction tasks, covering both 2D and 3D, simulated and real-world fluids.

The Euler Characteristic Transform (ECT) has proven to be a powerful representation, combining geometrical and topological characteristics of shapes and graphs. However, the ECT was hitherto unable to learn task-specific representations. We overcome this issue and develop a novel computational layer that enables learning the ECT in an end-to-end fashion. Our method, the Differentiable Euler Characteristic Transform (DECT), is fast and computationally efficient, while exhibiting performance on a par with more complex models in both graph and point cloud classification tasks. Moreover, we show that this seemingly simple statistic provides the same topological expressivity as more complex topological deep learning layers.

Hyperbolic spaces have recently gained momentum in the context of machine learning due to their high capacity and tree-likeliness properties. However, the representational power of hyperbolic geometry is not yet on par with Euclidean geometry, mostly because of the absence of corresponding hyperbolic neural network layers. This makes it hard to use hyperbolic embeddings in downstream tasks. Here, we bridge this gap in a principled manner by combining the formalism of Möbius gyrovector spaces with the Riemannian geometry of the Poincaré model of hyperbolic spaces. As a result, we derive hyperbolic versions of important deep learning tools: multinomial logistic regression, feed-forward and recurrent neural networks such as gated recurrent units. This allows to embed sequential data and perform classification in the hyperbolic space. Empirically, we show that, even if hyperbolic optimization tools are limited, hyperbolic sentence embeddings either outperform or are on par with their Euclidean variants on textual entailment and noisy-prefix recognition tasks.

In this paper, we study the existence and uniqueness of solutions to the Euler equations with initial conditions that exhibit analytic regularity near the boundary and Sobolev regularity away from it. A key contribution of this work is the introduction of the diamond-analyticity framework, which captures the spatial decay of the analyticity radius in a structured manner, improving upon uniform analyticity approaches. We employ the Leray projection and a nonstandard mollification technique to demonstrate that the quotient between the imaginary and real parts of the analyticity radius remains unrestricted, thus extending the analyticity persistence results beyond traditional constraints. Our methodology combines analytic-Sobolev estimates with an iterative scheme which is nonstandard in the Cauchy-Kowalevskaya framework, ensuring rigorous control over the evolution of the solution. These results contribute to a deeper understanding of the interplay between analyticity and boundary effects in fluid equations. They might have implications for the study of the inviscid limit of the Navier-Stokes equations and the role of complex singularities in fluid dynamics.

We study the matrix models pi:C(S_N^+)to M_N(C(X)) which are flat, in the sense that the standard generators of C(S_N^+) are mapped to rank 1 projections. Our first result is a generalization of the Pauli matrix construction at N=4, using finite groups and 2-cocycles. Our second result is the construction of a universal representation of C(S_N^+), inspired from the Sinkhorn algorithm, that we conjecture to be inner faithful.

We delve into the physics-informed neural reconstruction of smoke and obstacles through sparse-view RGB videos, tackling challenges arising from limited observation of complex dynamics. Existing physics-informed neural networks often emphasize short-term physics constraints, leaving the proper preservation of long-term conservation less explored. We introduce Neural Characteristic Trajectory Fields, a novel representation utilizing Eulerian neural fields to implicitly model Lagrangian fluid trajectories. This topology-free, auto-differentiable representation facilitates efficient flow map calculations between arbitrary frames as well as efficient velocity extraction via auto-differentiation. Consequently, it enables end-to-end supervision covering long-term conservation and short-term physics priors. Building on the representation, we propose physics-informed trajectory learning and integration into NeRF-based scene reconstruction. We enable advanced obstacle handling through self-supervised scene decomposition and seamless integrated boundary constraints. Our results showcase the ability to overcome challenges like occlusion uncertainty, density-color ambiguity, and static-dynamic entanglements. Code and sample tests are at https://github.com/19reborn/PICT_smoke.

Flow-based generative models achieve state-of-the-art sample quality, but require the expensive solution of a differential equation at inference time. Flow map models, commonly known as consistency models, encompass many recent efforts to improve inference-time efficiency by learning the solution operator of this differential equation. Yet despite their promise, these models lack a unified description that clearly explains how to learn them efficiently in practice. Here, building on the methodology proposed in Boffi et. al. (2024), we present a systematic algorithmic framework for directly learning the flow map associated with a flow or diffusion model. By exploiting a relationship between the velocity field underlying a continuous-time flow and the instantaneous rate of change of the flow map, we show how to convert any distillation scheme into a direct training algorithm via self-distillation, eliminating the need for pre-trained teachers. We introduce three algorithmic families based on different mathematical characterizations of the flow map: Eulerian, Lagrangian, and Progressive methods, which we show encompass and extend all known distillation and direct training schemes for consistency models. We find that the novel class of Lagrangian methods, which avoid both spatial derivatives and bootstrapping from small steps by design, achieve significantly more stable training and higher performance than more standard Eulerian and Progressive schemes. Our methodology unifies existing training schemes under a single common framework and reveals new design principles for accelerated generative modeling. Associated code is available at https://github.com/nmboffi/flow-maps.

The learnable, linear neural network layers between tensor power spaces of R^{n} that are equivariant to the orthogonal group, O(n), the special orthogonal group, SO(n), and the symplectic group, Sp(n), were characterised in arXiv:2212.08630. We present an algorithm for multiplying a vector by any weight matrix for each of these groups, using category theoretic constructions to implement the procedure. We achieve a significant reduction in computational cost compared with a naive implementation by making use of Kronecker product matrices to perform the multiplication. We show that our approach extends to the symmetric group, S_n, recovering the algorithm of arXiv:2303.06208 in the process.

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

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.

Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincar\'e ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincar\'e embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.

We present EuLearn, the first surface datasets equitably representing a diversity of topological types. We designed our embedded surfaces of uniformly varying genera relying on random knots, thus allowing our surfaces to knot with themselves. EuLearn contributes new topological datasets of meshes, point clouds, and scalar fields in 3D. We aim to facilitate the training of machine learning systems that can discern topological features. We experimented with specific emblematic 3D neural network architectures, finding that their vanilla implementations perform poorly on genus classification. To enhance performance, we developed a novel, non-Euclidean, statistical sampling method adapted to graph and manifold data. We also introduce adjacency-informed adaptations of PointNet and Transformer architectures that rely on our non-Euclidean sampling strategy. Our results demonstrate that incorporating topological information into deep learning workflows significantly improves performance on these otherwise challenging EuLearn datasets.

Implicit Neural Spatial Representation (INSR) has emerged as an effective representation of spatially-dependent vector fields. This work explores solving time-dependent PDEs with INSR. Classical PDE solvers introduce both temporal and spatial discretizations. Common spatial discretizations include meshes and meshless point clouds, where each degree-of-freedom corresponds to a location in space. While these explicit spatial correspondences are intuitive to model and understand, these representations are not necessarily optimal for accuracy, memory usage, or adaptivity. Keeping the classical temporal discretization unchanged (e.g., explicit/implicit Euler), we explore INSR as an alternative spatial discretization, where spatial information is implicitly stored in the neural network weights. The network weights then evolve over time via time integration. Our approach does not require any training data generated by existing solvers because our approach is the solver itself. We validate our approach on various PDEs with examples involving large elastic deformations, turbulent fluids, and multi-scale phenomena. While slower to compute than traditional representations, our approach exhibits higher accuracy and lower memory consumption. Whereas classical solvers can dynamically adapt their spatial representation only by resorting to complex remeshing algorithms, our INSR approach is intrinsically adaptive. By tapping into the rich literature of classic time integrators, e.g., operator-splitting schemes, our method enables challenging simulations in contact mechanics and turbulent flows where previous neural-physics approaches struggle. Videos and codes are available on the project page: http://www.cs.columbia.edu/cg/INSR-PDE/

Recent advancements in large language models (LLMs) have showcased their exceptional abilities across various tasks, such as code generation, problem-solving and reasoning. Existing benchmarks evaluate tasks in isolation, yet the extent to which LLMs can understand prose-style tasks, identify the underlying problems, and then generate appropriate code solutions is still unexplored. Addressing this gap, we introduce PECC, a novel benchmark derived from Advent Of Code (AoC) challenges and Project Euler, including 2396 problems. Unlike conventional benchmarks, PECC requires LLMs to interpret narrative-embedded problems, extract requirements, and generate executable code. A key feature of our dataset is the complexity added by natural language prompting in chat-based evaluations, mirroring real-world instruction ambiguities. Results show varying model performance between narrative and neutral problems, with specific challenges in the Euler math-based subset with GPT-3.5-Turbo passing 50% of the AoC challenges and only 8% on the Euler problems. By probing the limits of LLMs' capabilities, our benchmark provides a framework to monitor and assess the subsequent progress of LLMs as a universal problem solver.

An open-source C++ framework for discovering fast matrix multiplication schemes using the flip graph approach is presented. The framework supports multiple coefficient rings -- binary (Z_2), modular ternary (Z_3) and integer ternary (Z_T = {-1,0,1}) -- and implements both fixed-dimension and meta-dimensional search operators. Using efficient bit-level encoding of coefficient vectors and OpenMP parallelism, the tools enable large-scale exploration on commodity hardware. The study covers 680 schemes ranging from (2 times 2 times 2) to (16 times 16 times 16), with 276 schemes now in Z_T coefficients and 117 in integer coefficients. With this framework, the multiplicative complexity (rank) is improved for 79 matrix multiplication schemes. Notably, a new 4 times 4 times 10 scheme requiring only 115 multiplications is discovered, achieving ωapprox 2.80478 and beating Strassen's exponent for this specific size. Additionally, 93 schemes are rediscovered in ternary coefficients that were previously known only over rationals or integers, and 68 schemes in integer coefficients that previously required fractions. All tools and discovered schemes are made publicly available to enable reproducible research.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

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.

Recent progress has been made towards learning invariant or equivariant representations with self-supervised learning. While invariant methods are evaluated on large scale datasets, equivariant ones are evaluated in smaller, more controlled, settings. We aim at bridging the gap between the two in order to learn more diverse representations that are suitable for a wide range of tasks. We start by introducing a dataset called 3DIEBench, consisting of renderings from 3D models over 55 classes and more than 2.5 million images where we have full control on the transformations applied to the objects. We further introduce a predictor architecture based on hypernetworks to learn equivariant representations with no possible collapse to invariance. We introduce SIE (Split Invariant-Equivariant) which combines the hypernetwork-based predictor with representations split in two parts, one invariant, the other equivariant, to learn richer representations. We demonstrate significant performance gains over existing methods on equivariance related tasks from both a qualitative and quantitative point of view. We further analyze our introduced predictor and show how it steers the learned latent space. We hope that both our introduced dataset and approach will enable learning richer representations without supervision in more complex scenarios. Code and data are available at https://github.com/facebookresearch/SIE.

Recent works have demonstrated reasonable success of representation learning in hypercomplex space. Specifically, "fully-connected layers with Quaternions" (4D hypercomplex numbers), which replace real-valued matrix multiplications in fully-connected layers with Hamilton products of Quaternions, both enjoy parameter savings with only 1/4 learnable parameters and achieve comparable performance in various applications. However, one key caveat is that hypercomplex space only exists at very few predefined dimensions (4D, 8D, and 16D). This restricts the flexibility of models that leverage hypercomplex multiplications. To this end, we propose parameterizing hypercomplex multiplications, allowing models to learn multiplication rules from data regardless of whether such rules are predefined. As a result, our method not only subsumes the Hamilton product, but also learns to operate on any arbitrary nD hypercomplex space, providing more architectural flexibility using arbitrarily 1/n learnable parameters compared with the fully-connected layer counterpart. Experiments of applications to the LSTM and Transformer models on natural language inference, machine translation, text style transfer, and subject verb agreement demonstrate architectural flexibility and effectiveness of the proposed approach.

We reformulate the Landau analysis of Feynman integrals with the aim of advancing the state of the art in modern particle-physics computations. We contribute new algorithms for computing Landau singularities, using tools from polyhedral geometry and symbolic/numerical elimination. Inspired by the work of Gelfand, Kapranov, and Zelevinsky (GKZ) on generalized Euler integrals, we define the principal Landau determinant of a Feynman diagram. We illustrate with a number of examples that this algebraic formalism allows to compute many components of the Landau singular locus. We adapt the GKZ framework by carefully specializing Euler integrals to Feynman integrals. For instance, ultraviolet and infrared singularities are detected as irreducible components of an incidence variety, which project dominantly to the kinematic space. We compute principal Landau determinants for the infinite families of one-loop and banana diagrams with different mass configurations, and for a range of cutting-edge Standard Model processes. Our algorithms build on the Julia package Landau.jl and are implemented in the new open-source package PLD.jl available at https://mathrepo.mis.mpg.de/PLD/.

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations (irreps). However, the computational complexity of such operations increases significantly as higher-order tensors are used. In this work, we propose a systematic approach to substantially accelerate the computation of the tensor products of irreps. We mathematically connect the commonly used Clebsch-Gordan coefficients to the Gaunt coefficients, which are integrals of products of three spherical harmonics. Through Gaunt coefficients, the tensor product of irreps becomes equivalent to the multiplication between spherical functions represented by spherical harmonics. This perspective further allows us to change the basis for the equivariant operations from spherical harmonics to a 2D Fourier basis. Consequently, the multiplication between spherical functions represented by a 2D Fourier basis can be efficiently computed via the convolution theorem and Fast Fourier Transforms. This transformation reduces the complexity of full tensor products of irreps from O(L^6) to O(L^3), where L is the max degree of irreps. Leveraging this approach, we introduce the Gaunt Tensor Product, which serves as a new method to construct efficient equivariant operations across different model architectures. Our experiments on the Open Catalyst Project and 3BPA datasets demonstrate both the increased efficiency and improved performance of our approach.

We provide a construction for categorical representation learning and introduce the foundations of "categorifier". The central theme in representation learning is the idea of everything to vector. Every object in a dataset S can be represented as a vector in R^n by an encoding map E: Obj(S)toR^n. More importantly, every morphism can be represented as a matrix E: Hom(S)toR^{n}_{n}. The encoding map E is generally modeled by a deep neural network. The goal of representation learning is to design appropriate tasks on the dataset to train the encoding map (assuming that an encoding is optimal if it universally optimizes the performance on various tasks). However, the latter is still a set-theoretic approach. The goal of the current article is to promote the representation learning to a new level via a category-theoretic approach. As a proof of concept, we provide an example of a text translator equipped with our technology, showing that our categorical learning model outperforms the current deep learning models by 17 times. The content of the current article is part of the recent US patent proposal (patent application number: 63110906).

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

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.

We present GRAPE (Group RepresentAtional Position Encoding), a unified framework for positional encoding based on group actions. GRAPE brings together two families of mechanisms: (i) multiplicative rotations (Multiplicative GRAPE) in SO(d) and (ii) additive logit biases (Additive GRAPE) arising from unipotent actions in the general linear group GL. In Multiplicative GRAPE, a position n in Z (or t in R) acts as G(n)=exp(n,ω,L) with a rank-2 skew generator L in R^{d times d}, yielding a relative, compositional, norm-preserving map with a closed-form matrix exponential. RoPE is recovered exactly when the d/2 planes are the canonical coordinate pairs with log-uniform spectrum. Learned commuting subspaces and compact non-commuting mixtures strictly extend this geometry to capture cross-subspace feature coupling at O(d) and O(r d) cost per head, respectively. In Additive GRAPE, additive logits arise as rank-1 (or low-rank) unipotent actions, recovering ALiBi and the Forgetting Transformer (FoX) as exact special cases while preserving an exact relative law and streaming cacheability. Altogether, GRAPE supplies a principled design space for positional geometry in long-context models, subsuming RoPE and ALiBi as special cases. Project Page: https://github.com/model-architectures/GRAPE.

Given the exponential growth of the volume of the ball w.r.t. its radius, the hyperbolic space is capable of embedding trees with arbitrarily small distortion and hence has received wide attention for representing hierarchical datasets. However, this exponential growth property comes at a price of numerical instability such that training hyperbolic learning models will sometimes lead to catastrophic NaN problems, encountering unrepresentable values in floating point arithmetic. In this work, we carefully analyze the limitation of two popular models for the hyperbolic space, namely, the Poincar\'e ball and the Lorentz model. We first show that, under the 64 bit arithmetic system, the Poincar\'e ball has a relatively larger capacity than the Lorentz model for correctly representing points. Then, we theoretically validate the superiority of the Lorentz model over the Poincar\'e ball from the perspective of optimization. Given the numerical limitations of both models, we identify one Euclidean parametrization of the hyperbolic space which can alleviate these limitations. We further extend this Euclidean parametrization to hyperbolic hyperplanes and exhibits its ability in improving the performance of hyperbolic SVM.

Computer-aided design (CAD) is the digital construction of 2D and 3D objects, and is central to a wide range of engineering and manufacturing applications like automobile and aviation. Despite its importance, CAD modeling remains largely a time-intensive, manual task. Recent works have attempted to automate this process with small transformer-based models and handcrafted CAD sequence representations. However, there has been little effort to leverage the potential of large language models (LLMs) for sequential CAD design. In this work, we introduce a new large-scale dataset of more than 170k CAD models annotated with high-quality, human-like descriptions generated with our pipeline based on GPT-4.1. Using this dataset, we fine-tune powerful code-LLMs to generate CAD sequences represented in a JSON-based format from natural language descriptions, demonstrating the viability and effectiveness of this approach for text-conditioned CAD generation. Because simple metrics often fail to reflect the quality of generated objects, we introduce geometric and topological metrics based on sphericity, mean curvature, and Euler characteristic to provide richer structural insights. Our experiments and ablation studies on both synthetic and human-annotated data demonstrate that CADmium is able to automate CAD design, drastically speeding up the design of new objects. The dataset, code, and fine-tuned models are available online.

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.

Matrix multiplication optimization remains a fundamental challenge in computational mathematics. This work introduces a novel approach that discovers matrix multiplication schemes in the ternary field (Z_T), where coefficients are restricted to {-1, 0, 1} to minimize naive additive complexity. The core of the method is a GPU-accelerated meta flip graph algorithm that maintains ternary safety through specialized arithmetic operations and sign symmetry breaking. Key results include new best ranks for the formats 4 times 5 times 12, 5 times 6 times 10, and 6 times 7 times 9, the independent discovery of 32 schemes in Z_T that match known optimal ranks (including 8 previously known only with rational coefficients), and 30 rank improvements in the binary field. The analysis of 164 known schemes shows that 92 can be implemented in Z_T, while 72 could not be found in the ternary field with current methods, defining the current boundaries of this approach. All software, results, and discovered schemes are provided as open-source.

This paper presents MetricGrids, a novel grid-based neural representation that combines elementary metric grids in various metric spaces to approximate complex nonlinear signals. While grid-based representations are widely adopted for their efficiency and scalability, the existing feature grids with linear indexing for continuous-space points can only provide degenerate linear latent space representations, and such representations cannot be adequately compensated to represent complex nonlinear signals by the following compact decoder. To address this problem while keeping the simplicity of a regular grid structure, our approach builds upon the standard grid-based paradigm by constructing multiple elementary metric grids as high-order terms to approximate complex nonlinearities, following the Taylor expansion principle. Furthermore, we enhance model compactness with hash encoding based on different sparsities of the grids to prevent detrimental hash collisions, and a high-order extrapolation decoder to reduce explicit grid storage requirements. experimental results on both 2D and 3D reconstructions demonstrate the superior fitting and rendering accuracy of the proposed method across diverse signal types, validating its robustness and generalizability. Code is available at https://github.com/wangshu31/MetricGrids}{https://github.com/wangshu31/MetricGrids.

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph representation learning. Specifically, constructing graphs that effectively capture the complete geometric information of crystals and handle chiral crystals remains an unsolved and challenging problem. In this paper, we introduce a novel approach that utilizes the periodic patterns of unit cells to establish the lattice-based representation for each atom, enabling efficient and expressive graph representations of crystals. Furthermore, we propose ComFormer, a SE(3) transformer designed specifically for crystalline materials. ComFormer includes two variants; namely, iComFormer that employs invariant geometric descriptors of Euclidean distances and angles, and eComFormer that utilizes equivariant vector representations. Experimental results demonstrate the state-of-the-art predictive accuracy of ComFormer variants on various tasks across three widely-used crystal benchmarks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

In physics, Lagrangians provide a systematic way to describe laws governing physical systems. In the context of particle physics, they encode the interactions and behavior of the fundamental building blocks of our universe. By treating Lagrangians as complex, rule-based constructs similar to linguistic expressions, we trained a transformer model -- proven to be effective in natural language tasks -- to predict the Lagrangian corresponding to a given list of particles. We report on the transformer's performance in constructing Lagrangians respecting the Standard Model SU(3)times SU(2)times U(1) gauge symmetries. The resulting model is shown to achieve high accuracies (over 90\%) with Lagrangians up to six matter fields, with the capacity to generalize beyond the training distribution, albeit within architectural constraints. We show through an analysis of input embeddings that the model has internalized concepts such as group representations and conjugation operations as it learned to generate Lagrangians. We make the model and training datasets available to the community. An interactive demonstration can be found at: https://huggingface.co/spaces/JoseEliel/generate-lagrangians.

We reframe scene flow as the task of estimating a continuous space-time ODE that describes motion for an entire observation sequence, represented with a neural prior. Our method, EulerFlow, optimizes this neural prior estimate against several multi-observation reconstruction objectives, enabling high quality scene flow estimation via pure self-supervision on real-world data. EulerFlow works out-of-the-box without tuning across multiple domains, including large-scale autonomous driving scenes and dynamic tabletop settings. Remarkably, EulerFlow produces high quality flow estimates on small, fast moving objects like birds and tennis balls, and exhibits emergent 3D point tracking behavior by solving its estimated ODE over long-time horizons. On the Argoverse 2 2024 Scene Flow Challenge, EulerFlow outperforms all prior art, surpassing the next-best unsupervised method by more than 2.5x, and even exceeding the next-best supervised method by over 10%.

We consider the incompressible Euler and Navier-Stokes equations on the three dimensional torus, in velocity form, perturbed by a transport or transport-stretching Stratonovich noise. Closed control of the noise contributions in energy estimates are demonstrated, for any positive integer ordered Sobolev Space and the equivalent Stokes Space; difficulty arises due to the presence of the Leray Projector disrupting cancellation of the top order derivative. This is particularly pertinent in the case of a transport noise without stretching, where the vorticity form cannot be used. As a consequence we obtain, for the first time, the existence of a local strong solution to the corresponding stochastic Euler equation. Furthermore, smooth solutions are shown to exist until blow-up in L^1left([0,T];W^{1,infty}right).

Motion magnification helps us visualize subtle, imperceptible motion. However, prior methods only work for 2D videos captured with a fixed camera. We present a 3D motion magnification method that can magnify subtle motions from scenes captured by a moving camera, while supporting novel view rendering. We represent the scene with time-varying radiance fields and leverage the Eulerian principle for motion magnification to extract and amplify the variation of the embedding of a fixed point over time. We study and validate our proposed principle for 3D motion magnification using both implicit and tri-plane-based radiance fields as our underlying 3D scene representation. We evaluate the effectiveness of our method on both synthetic and real-world scenes captured under various camera setups.

Recent advances in foundational models have yielded reasoning systems capable of achieving a gold-medal standard at the International Mathematical Olympiad. The transition from competition-level problem-solving to professional research, however, requires navigating vast literature and constructing long-horizon proofs. In this work, we introduce Aletheia, a math research agent that iteratively generates, verifies, and revises solutions end-to-end in natural language. Specifically, Aletheia is powered by an advanced version of Gemini Deep Think for challenging reasoning problems, a novel inference-time scaling law that extends beyond Olympiad-level problems, and intensive tool use to navigate the complexities of mathematical research. We demonstrate the capability of Aletheia from Olympiad problems to PhD-level exercises and most notably, through several distinct milestones in AI-assisted mathematics research: (a) a research paper (Feng26) generated by AI without any human intervention in calculating certain structure constants in arithmetic geometry called eigenweights; (b) a research paper (LeeSeo26) demonstrating human-AI collaboration in proving bounds on systems of interacting particles called independent sets; and (c) an extensive semi-autonomous evaluation (Feng et al., 2026a) of 700 open problems on Bloom's Erdos Conjectures database, including autonomous solutions to four open questions. In order to help the public better understand the developments pertaining to AI and mathematics, we suggest codifying standard levels quantifying autonomy and novelty of AI-assisted results. We conclude with reflections on human-AI collaboration in mathematics.

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.

We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on many real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.

In an unbounded plane, straight lines are used extensively for mathematical analysis. They are tools of convenience. However, those with high slope values become unbounded at a faster rate than the independent variable. So, straight lines, in this work, are made to be bounded by introducing a parametric nonlinear term that is positive. The straight lines are transformed into bounded nonlinear curves that become unbounded at a much slower rate than the independent variable. This transforming equation can be expressed as a continued fraction of straight lines. The continued fraction is real-valued and converges to the solutions of the transforming equation. Following Euler's method, the continued fraction has been reduced into an infinite series. The usefulness of the bounding nature of continued fraction is demonstrated by solving the problem of image classification. Parameters estimated on the Fashion-MNIST dataset of greyscale images using continued fraction of regression lines have less variance, converge quickly and are more accurate than the linear counterpart. Moreover, this multi-dimensional parametric estimation problem can be expressed on xy- plane using the parameters of the continued fraction and patterns emerge on planar plots.

We consider solving partial differential equations (PDEs) with Fourier neural operators (FNOs), which operate in the frequency domain. Since the laws of physics do not depend on the coordinate system used to describe them, it is desirable to encode such symmetries in the neural operator architecture for better performance and easier learning. While encoding symmetries in the physical domain using group theory has been studied extensively, how to capture symmetries in the frequency domain is under-explored. In this work, we extend group convolutions to the frequency domain and design Fourier layers that are equivariant to rotations, translations, and reflections by leveraging the equivariance property of the Fourier transform. The resulting G-FNO architecture generalizes well across input resolutions and performs well in settings with varying levels of symmetry. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Positional encoding mechanisms enable Transformers to model sequential structure and long-range dependencies in text. While absolute positional encodings struggle with extrapolation to longer sequences due to fixed positional representations, and relative approaches like Alibi exhibit performance degradation on extremely long contexts, the widely-used Rotary Positional Encoding (RoPE) introduces oscillatory attention patterns that hinder stable long-distance dependency modelling. We address these limitations through a geometric reformulation of positional encoding. Drawing inspiration from Lorentz transformations in hyperbolic geometry, we propose Hyperbolic Rotary Positional Encoding (HoPE), which leverages hyperbolic functions to implement Lorentz rotations on token representations. Theoretical analysis demonstrates that RoPE is a special case of our generalized formulation. HoPE fundamentally resolves RoPE's slation issues by enforcing monotonic decay of attention weights with increasing token distances. Extensive experimental results, including perplexity evaluations under several extended sequence benchmarks, show that HoPE consistently exceeds existing positional encoding methods. These findings underscore HoPE's enhanced capacity for representing and generalizing long-range dependencies. Data and code will be available.

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules and constitute an important step towards the modeling of distributions of many interacting molecules.

This paper reformulates a classical result in probability theory from the 1930s in modern categorical terms: de Finetti's representation theorem is redescribed as limit statement for a chain of finite spaces in the Kleisli category of the Giry monad. This new limit is used to identify among exchangeable coalgebras the final one.

A Lie group is an old mathematical abstract object dating back to the XIX century, when mathematician Sophus Lie laid the foundations of the theory of continuous transformation groups. As it often happens, its usage has spread over diverse areas of science and technology many years later. In robotics, we are recently experiencing an important trend in its usage, at least in the fields of estimation, and particularly in motion estimation for navigation. Yet for a vast majority of roboticians, Lie groups are highly abstract constructions and therefore difficult to understand and to use. This may be due to the fact that most of the literature on Lie theory is written by and for mathematicians and physicists, who might be more used than us to the deep abstractions this theory deals with. In estimation for robotics it is often not necessary to exploit the full capacity of the theory, and therefore an effort of selection of materials is required. In this paper, we will walk through the most basic principles of the Lie theory, with the aim of conveying clear and useful ideas, and leave a significant corpus of the Lie theory behind. Even with this mutilation, the material included here has proven to be extremely useful in modern estimation algorithms for robotics, especially in the fields of SLAM, visual odometry, and the like. Alongside this micro Lie theory, we provide a chapter with a few application examples, and a vast reference of formulas for the major Lie groups used in robotics, including most jacobian matrices and the way to easily manipulate them. We also present a new C++ template-only library implementing all the functionality described here.

Machine learning for differential equations paves the way for computationally efficient alternatives to numerical solvers, with potentially broad impacts in science and engineering. Though current algorithms typically require simulated training data tailored to a given setting, one may instead wish to learn useful information from heterogeneous sources, or from real dynamical systems observations that are messy or incomplete. In this work, we learn general-purpose representations of PDEs from heterogeneous data by implementing joint embedding methods for self-supervised learning (SSL), a framework for unsupervised representation learning that has had notable success in computer vision. Our representation outperforms baseline approaches to invariant tasks, such as regressing the coefficients of a PDE, while also improving the time-stepping performance of neural solvers. We hope that our proposed methodology will prove useful in the eventual development of general-purpose foundation models for PDEs.

We rigorously state the connection between the EHZ-capacity of convex Lagrangian products Ktimes TsubsetR^ntimesR^n and the minimal length of closed (K,T)-Minkowski billiard trajectories. This connection was made explicit for the first time by Artstein-Avidan and Ostrover under the assumption of smoothness and strict convexity of both K and T. We prove this connection in its full generality, i.e., without requiring any conditions on the convex bodies K and T. This prepares the computation of the EHZ-capacity of convex Lagrangian products of two convex polytopes by using discrete computational methods.

Current diffusion or flow-based generative models for 3D shapes divide to two: distilling pre-trained 2D image diffusion models, and training directly on 3D shapes. When training a diffusion or flow models on 3D shapes a crucial design choice is the shape representation. An effective shape representation needs to adhere three design principles: it should allow an efficient conversion of large 3D datasets to the representation form; it should provide a good tradeoff of approximation power versus number of parameters; and it should have a simple tensorial form that is compatible with existing powerful neural architectures. While standard 3D shape representations such as volumetric grids and point clouds do not adhere to all these principles simultaneously, we advocate in this paper a new representation that does. We introduce Mosaic-SDF (M-SDF): a simple 3D shape representation that approximates the Signed Distance Function (SDF) of a given shape by using a set of local grids spread near the shape's boundary. The M-SDF representation is fast to compute for each shape individually making it readily parallelizable; it is parameter efficient as it only covers the space around the shape's boundary; and it has a simple matrix form, compatible with Transformer-based architectures. We demonstrate the efficacy of the M-SDF representation by using it to train a 3D generative flow model including class-conditioned generation with the 3D Warehouse dataset, and text-to-3D generation using a dataset of about 600k caption-shape pairs.

Let (M omega) be a two dimensional symplectic manifold, phi: M to M a symplectomorphism with hyperbolic fixed point x and transversely intersecting stable and unstable manifolds W^s(phi, x) cap W^u(phi, x)=:H(phi, x). The intersection points are called homoclinic points, and the stable and unstable manifold are in this situation Lagrangian submanifolds. For this Lagrangian intersection problem with its infinite number of intersection points and wild oscillation behavior, we first define a Floer homology generated by finite sets of so-called contractible homoclinic points. This generalizes very significantly the Floer homologies generated by (semi)primary points defined by us in earlier works. Nevertheless these Floer homologies only consider quite `local' aspects of W^s(phi, x) cap W^u(phi, x) since their generator sets are finite, but the number of all contractible homoclinic points is infinite. To overcome this issue, we construct a direct limit of these `local' homoclinic Floer homologies over suitable index sets. These direct limits thus accumulate the information gathered by the finitely generated local' homoclinic Floer homologies.

Normalization layers are crucial for deep learning, but their Euclidean formulations are inadequate for data on manifolds. On the other hand, many Riemannian manifolds in machine learning admit gyro-structures, enabling principled extensions of Euclidean neural networks to non-Euclidean domains. Inspired by this, we introduce GyroBN, a principled Riemannian batch normalization framework for gyrogroups. We establish two necessary conditions, namely pseudo-reduction and gyroisometric gyrations, that guarantee GyroBN with theoretical control over sample statistics, and show that these conditions hold for all known gyrogroups in machine learning. Our framework also incorporates several existing Riemannian normalization methods as special cases. We further instantiate GyroBN on seven representative geometries, including the Grassmannian, five constant curvature spaces, and the correlation manifold, and derive novel gyro and Riemannian structures to enable these instantiations. Experiments across these geometries demonstrate the effectiveness of GyroBN. The code is available at https://github.com/GitZH-Chen/GyroBN.git.

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.

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have inspired numerous enhancements, including multigrid approaches and K-hop aggregation (using neighbours of distance K), yet they often introduce significant complexity and suffer from limited in-depth investigations. In response to these challenges, we propose a novel Graph Transformer architecture that leverages the adjacency matrix as an attention mask. The proposed approach incorporates innovative augmentations, including Dilated Sliding Windows and Global Attention, to extend receptive fields without sacrificing computational efficiency. Through extensive experimentation, we evaluate model size, adjacency matrix augmentations, positional encoding and K-hop configurations using challenging 3D computational fluid dynamics (CFD) datasets. We also train over 60 models to find a scaling law between training FLOPs and parameters. The introduced models demonstrate remarkable scalability, performing on meshes with up to 300k nodes and 3 million edges. Notably, the smallest model achieves parity with MeshGraphNet while being 7times faster and 6times smaller. The largest model surpasses the previous state-of-the-art by 38.8\% on average and outperforms MeshGraphNet by 52\% on the all-rollout RMSE, while having a similar training speed. Code and datasets are available at https://github.com/DonsetPG/graph-physics.

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond 2-WL graph separation, and n-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.

This is the third paper of the CayleyPy project applying artificial intelligence to problems in group theory. We announce the first public release of CayleyPy, an open source Python library for computations with Cayley and Schreier graphs. Compared with systems such as GAP and Sage, CayleyPy handles much larger graphs and performs several orders of magnitude faster. Using CayleyPy we obtained about 200 new conjectures on Cayley and Schreier graphs, focused on diameters and growth. For many Cayley graphs of symmetric groups Sn we observe quasi polynomial diameter formulas: a small set of quadratic or linear polynomials indexed by n mod s. We conjecture that this is a general phenomenon, giving efficient diameter computation despite the problem being NP hard. We propose a refinement of the Babai type conjecture on diameters of Sn: n^2/2 + 4n upper bounds in the undirected case, compared to previous O(n^2) bounds. We also provide explicit generator families, related to involutions in a square with whiskers pattern, conjectured to maximize the diameter; search confirms this for all n up to 15. We further conjecture an answer to a question posed by V M Glushkov in 1968 on directed Cayley graphs generated by a cyclic shift and a transposition. For nilpotent groups we conjecture an improvement of J S Ellenberg's results on upper unitriangular matrices over Z/pZ, showing linear dependence of diameter on p. Moreover. Some conjectures are LLM friendly, naturally stated as sorting problems verifiable by algorithms or Python code. To benchmark path finding we created more than 10 Kaggle datasets. CayleyPy works with arbitrary permutation or matrix groups and includes over 100 predefined generators. Our growth computation code outperforms GAP and Sage up to 1000 times in speed and size.

Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our representation satisfies all structural, geometric, efficiency, and generalizability constraints. Afterward, we provide a general algorithm to encode any atomistic system. Finally, we report performance comparable to state-of-the-art methods on numerous tasks. We open-source all code and datasets. The code and data are available at https://github.com/rahulkhorana/PolyatomicComplexes.

Gross, Mansour, and Tucker introduced the partial-duality polynomial of a ribbon graph [Distributions, European J. Combin. 86, 1--20, 2020], the generating function enumerating partial duals by the Euler genus. Chmutov and Vignes-Tourneret wondered if this polynomial and its conjectured properties would hold for general delta-matroids, which are combinatorial abstractions of ribbon graphs. Yan and Jin contributed to this inquiry by identifying a subset of delta-matroids-specifically, even normal binary ones-whose twist polynomials are characterized by a singular term. Building upon this foundation, the current paper expands the scope of the investigation to encompass even non-binary delta-matroids, revealing that none of them have width-changing twists.

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

Group equivariant neural networks are used as building blocks of group invariant neural networks, which have been shown to improve generalisation performance and data efficiency through principled parameter sharing. Such works have mostly focused on group equivariant convolutions, building on the result that group equivariant linear maps are necessarily convolutions. In this work, we extend the scope of the literature to self-attention, that is emerging as a prominent building block of deep learning models. We propose the LieTransformer, an architecture composed of LieSelfAttention layers that are equivariant to arbitrary Lie groups and their discrete subgroups. We demonstrate the generality of our approach by showing experimental results that are competitive to baseline methods on a wide range of tasks: shape counting on point clouds, molecular property regression and modelling particle trajectories under Hamiltonian dynamics.

Triangle meshes are fundamental to 3D applications, enabling efficient modification and rasterization while maintaining compatibility with standard rendering pipelines. However, current automatic mesh generation methods typically rely on intermediate representations that lack the continuous surface quality inherent to meshes. Converting these representations into meshes produces dense, suboptimal outputs. Although recent autoregressive approaches demonstrate promise in directly modeling mesh vertices and faces, they are constrained by the limitation in face count, scalability, and structural fidelity. To address these challenges, we propose Nautilus, a locality-aware autoencoder for artist-like mesh generation that leverages the local properties of manifold meshes to achieve structural fidelity and efficient representation. Our approach introduces a novel tokenization algorithm that preserves face proximity relationships and compresses sequence length through locally shared vertices and edges, enabling the generation of meshes with an unprecedented scale of up to 5,000 faces. Furthermore, we develop a Dual-stream Point Conditioner that provides multi-scale geometric guidance, ensuring global consistency and local structural fidelity by capturing fine-grained geometric features. Extensive experiments demonstrate that Nautilus significantly outperforms state-of-the-art methods in both fidelity and scalability. The project page is at https://nautilusmeshgen.github.io.

The quantitative prediction of the intensity of rainfall events (light or heavy) has remained a challenge in Numerical Weather Prediction (NWP) models. For the first time the mean coefficient of diffusional growth rates are calculated using an Eulerian-Lagrangian particle-based small-scale model on in situ airborne measurement data of Cloud Aerosol Interaction and Precipitation Enhancement Experiment (CAIPEEX) during monsoon over Indian sub-continent. The results show that diffusional growth rates varies in the range of 0.00025 - 0.0015(cm/s). The generic problem of the overestimation of light rain in NWP models might be related with the choice of cm in the model. It is also shown from DNS experiment using Eulerian-Lagrangian particle-based small-scale model that the relative dispersion is constrained with average values in the range of ~ 0.2 - 0.37 (~ 0.1- 0.26) in less humid (more humid) conditions. This is in agreement with in situ airborne observation (dispersion ~ 0.36) and previous study over Indian sub-continent. The linear relationship between relative dispersion and cloud droplet number concentration (NC) is obtained from this study using CAIPEEX observation over Indian subcontinent. The dispersion based autoconversion-scheme for Indian region must be useful for the Indian summer monsoon precipitation calculation in the general circulation model. The present study also provide valuable guidance for the parameterization of effective radius, important for radiation scheme.

Video representation is a long-standing problem that is crucial for various down-stream tasks, such as tracking,depth prediction,segmentation,view synthesis,and editing. However, current methods either struggle to model complex motions due to the absence of 3D structure or rely on implicit 3D representations that are ill-suited for manipulation tasks. To address these challenges, we introduce a novel explicit 3D representation-video Gaussian representation -- that embeds a video into 3D Gaussians. Our proposed representation models video appearance in a 3D canonical space using explicit Gaussians as proxies and associates each Gaussian with 3D motions for video motion. This approach offers a more intrinsic and explicit representation than layered atlas or volumetric pixel matrices. To obtain such a representation, we distill 2D priors, such as optical flow and depth, from foundation models to regularize learning in this ill-posed setting. Extensive applications demonstrate the versatility of our new video representation. It has been proven effective in numerous video processing tasks, including tracking, consistent video depth and feature refinement, motion and appearance editing, and stereoscopic video generation. Project page: https://sunyangtian.github.io/spatter_a_video_web/

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.

This paper presents a methodology to learn surrogate models of steady state fluid dynamics simulations on meshed domains, based on Implicit Neural Representations (INRs). The proposed models can be applied directly to unstructured domains for different flow conditions, handle non-parametric 3D geometric variations, and generalize to unseen shapes at test time. The coordinate-based formulation naturally leads to robustness with respect to discretization, allowing an excellent trade-off between computational cost (memory footprint and training time) and accuracy. The method is demonstrated on two industrially relevant applications: a RANS dataset of the two-dimensional compressible flow over a transonic airfoil and a dataset of the surface pressure distribution over 3D wings, including shape, inflow condition, and control surface deflection variations. On the considered test cases, our approach achieves a more than three times lower test error and significantly improves generalization error on unseen geometries compared to state-of-the-art Graph Neural Network architectures. Remarkably, the method can perform inference five order of magnitude faster than the high fidelity solver on the RANS transonic airfoil dataset. Code is available at https://gitlab.isae-supaero.fr/gi.catalani/aero-nepf

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be SO(3) equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for equivariant networks, increase significantly in computational complexity as higher-order tensors are used. In this paper, we address this issue by reducing the SO(3) convolutions or tensor products to mathematically equivalent convolutions in SO(2) . This is accomplished by aligning the node embeddings' primary axis with the edge vectors, which sparsifies the tensor product and reduces the computational complexity from O(L^6) to O(L^3), where L is the degree of the representation. We demonstrate the potential implications of this improvement by proposing the Equivariant Spherical Channel Network (eSCN), a graph neural network utilizing our novel approach to equivariant convolutions, which achieves state-of-the-art results on the large-scale OC-20 and OC-22 datasets.

Robot design aims at learning to create robots that can be easily controlled and perform tasks efficiently. Previous works on robot design have proven its ability to generate robots for various tasks. However, these works searched the robots directly from the vast design space and ignored common structures, resulting in abnormal robots and poor performance. To tackle this problem, we propose a Symmetry-Aware Robot Design (SARD) framework that exploits the structure of the design space by incorporating symmetry searching into the robot design process. Specifically, we represent symmetries with the subgroups of the dihedral group and search for the optimal symmetry in structured subgroups. Then robots are designed under the searched symmetry. In this way, SARD can design efficient symmetric robots while covering the original design space, which is theoretically analyzed. We further empirically evaluate SARD on various tasks, and the results show its superior efficiency and generalizability.

There exist a number of well known multiplicative generating functions for series of Schur functions. Amongst these are some related to the dual Cauchy identity whose expansion coefficients are rather simple, and in some cases periodic in parameters specifying the Schur functions. More recently similar identities have been found involving expansions in terms of characters of the symplectic group. Here these results are extended and generalised to all classical Lie groups. This is done through the derivation of explicit recurrence relations for the expansion coefficients based on the action of the Weyl groups of both the symplectic and orthogonal groups. Copious results are tabulated in the form of explicit values of the expansion coefficients as functions of highest weight parameters. An alternative approach is then based on dual pairs of symplectic and/or orthogonal groups. A byproduct of this approach is that expansions in terms of spin orthogonal group characters can always be recovered from non-spin cases.

When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task which displays these symmetries. Recent work in this area has successfully made use of an SE(3)-equivariant model, applying an iterative SE(3)-equivariant attention mechanism. Motivated by this application, we implement an iterative version of the SE(3)-Transformer, an SE(3)-equivariant attention-based model for graph data. We address the additional complications which arise when applying the SE(3)-Transformer in an iterative fashion, compare the iterative and single-pass versions on a toy problem, and consider why an iterative model may be beneficial in some problem settings. We make the code for our implementation available to the community.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

We propose Equivariance by Contrast (EbC) to learn equivariant embeddings from observation pairs (y, g cdot y), where g is drawn from a finite group acting on the data. Our method jointly learns a latent space and a group representation in which group actions correspond to invertible linear maps -- without relying on group-specific inductive biases. We validate our approach on the infinite dSprites dataset with structured transformations defined by the finite group G:= (R_m times Z_n times Z_n), combining discrete rotations and periodic translations. The resulting embeddings exhibit high-fidelity equivariance, with group operations faithfully reproduced in latent space. On synthetic data, we further validate the approach on the non-abelian orthogonal group O(n) and the general linear group GL(n). We also provide a theoretical proof for identifiability. While broad evaluation across diverse group types on real-world data remains future work, our results constitute the first successful demonstration of general-purpose encoder-only equivariant learning from group action observations alone, including non-trivial non-abelian groups and a product group motivated by modeling affine equivariances in computer vision.

Contours or closed planar curves are common in many domains. For example, they appear as object boundaries in computer vision, isolines in meteorology, and the orbits of rotating machinery. In many cases when learning from contour data, planar rotations of the input will result in correspondingly rotated outputs. It is therefore desirable that deep learning models be rotationally equivariant. In addition, contours are typically represented as an ordered sequence of edge points, where the choice of starting point is arbitrary. It is therefore also desirable for deep learning methods to be equivariant under cyclic shifts. We present RotaTouille, a deep learning framework for learning from contour data that achieves both rotation and cyclic shift equivariance through complex-valued circular convolution. We further introduce and characterize equivariant non-linearities, coarsening layers, and global pooling layers to obtain invariant representations for downstream tasks. Finally, we demonstrate the effectiveness of RotaTouille through experiments in shape classification, reconstruction, and contour regression.

We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize. We open-source our library for constructing UNFs at https://github.com/AllanYangZhou/universal_neural_functional.

How can Transformers model and learn enumerative geometry? What is a robust procedure for using Transformers in abductive knowledge discovery within a mathematician-machine collaboration? In this work, we introduce a Transformer-based approach to computational enumerative geometry, specifically targeting the computation of psi-class intersection numbers on the moduli space of curves. By reformulating the problem as a continuous optimization task, we compute intersection numbers across a wide value range from 10^{-45} to 10^{45}. To capture the recursive nature inherent in these intersection numbers, we propose the Dynamic Range Activator (DRA), a new activation function that enhances the Transformer's ability to model recursive patterns and handle severe heteroscedasticity. Given precision requirements for computing the intersections, we quantify the uncertainty of the predictions using Conformal Prediction with a dynamic sliding window adaptive to the partitions of equivalent number of marked points. To the best of our knowledge, there has been no prior work on modeling recursive functions with such a high-variance and factorial growth. Beyond simply computing intersection numbers, we explore the enumerative "world-model" of Transformers. Our interpretability analysis reveals that the network is implicitly modeling the Virasoro constraints in a purely data-driven manner. Moreover, through abductive hypothesis testing, probing, and causal inference, we uncover evidence of an emergent internal representation of the the large-genus asymptotic of psi-class intersection numbers. These findings suggest that the network internalizes the parameters of the asymptotic closed-form and the polynomiality phenomenon of psi-class intersection numbers in a non-linear manner.

A key to knowledge graph embedding (KGE) is to choose a proper representation space, e.g., point-wise Euclidean space and complex vector space. In this paper, we propose a unified perspective of embedding and introduce uncertainty into KGE from the view of group theory. Our model can incorporate existing models (i.e., generality), ensure the computation is tractable (i.e., efficiency) and enjoy the expressive power of complex random variables (i.e., expressiveness). The core idea is that we embed entities/relations as elements of a symmetric group, i.e., permutations of a set. Permutations of different sets can reflect different properties of embedding. And the group operation of symmetric groups is easy to compute. In specific, we show that the embedding of many existing models, point vectors, can be seen as elements of a symmetric group. To reflect uncertainty, we first embed entities/relations as permutations of a set of random variables. A permutation can transform a simple random variable into a complex random variable for greater expressiveness, called a normalizing flow. We then define scoring functions by measuring the similarity of two normalizing flows, namely NFE. We construct several instantiating models and prove that they are able to learn logical rules. Experimental results demonstrate the effectiveness of introducing uncertainty and our model. The code is available at https://github.com/changyi7231/NFE.

Embodied systems experience the world as 'a symphony of flows': a combination of many continuous streams of sensory input coupled to self-motion, interwoven with the dynamics of external objects. These streams obey smooth, time-parameterized symmetries, which combine through a precisely structured algebra; yet most neural network world models ignore this structure and instead repeatedly re-learn the same transformations from data. In this work, we introduce 'Flow Equivariant World Models', a framework in which both self-motion and external object motion are unified as one-parameter Lie group 'flows'. We leverage this unification to implement group equivariance with respect to these transformations, thereby providing a stable latent world representation over hundreds of timesteps. On both 2D and 3D partially observed video world modeling benchmarks, we demonstrate that Flow Equivariant World Models significantly outperform comparable state-of-the-art diffusion-based and memory-augmented world modeling architectures -- particularly when there are predictable world dynamics outside the agent's current field of view. We show that flow equivariance is particularly beneficial for long rollouts, generalizing far beyond the training horizon. By structuring world model representations with respect to internal and external motion, flow equivariance charts a scalable route to data efficient, symmetry-guided, embodied intelligence. Project link: https://flowequivariantworldmodels.github.io.

We introduce Clifford Group Equivariant Simplicial Message Passing Networks, a method for steerable E(n)-equivariant message passing on simplicial complexes. Our method integrates the expressivity of Clifford group-equivariant layers with simplicial message passing, which is topologically more intricate than regular graph message passing. Clifford algebras include higher-order objects such as bivectors and trivectors, which express geometric features (e.g., areas, volumes) derived from vectors. Using this knowledge, we represent simplex features through geometric products of their vertices. To achieve efficient simplicial message passing, we share the parameters of the message network across different dimensions. Additionally, we restrict the final message to an aggregation of the incoming messages from different dimensions, leading to what we term shared simplicial message passing. Experimental results show that our method is able to outperform both equivariant and simplicial graph neural networks on a variety of geometric tasks.

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

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

Despite impressive performance across diverse tasks, Multimodal Large Language Models (MLLMs) have yet to fully demonstrate their potential in visual mathematical problem-solving, particularly in accurately perceiving and interpreting diagrams. Inspired by typical processes of humans, we hypothesize that the perception capabilities to extract meaningful information from diagrams is crucial, as it directly impacts subsequent inference processes. To validate this hypothesis, we developed FlowVerse, a comprehensive benchmark that categorizes all information used during problem-solving into four components, which are then combined into six problem versions for evaluation. Our preliminary results on FlowVerse reveal that existing MLLMs exhibit substantial limitations when extracting essential information and reasoned property from diagrams and performing complex reasoning based on these visual inputs. In response, we introduce MathFlow, a modular problem-solving pipeline that decouples perception and inference into distinct stages, thereby optimizing each independently. Given the perceptual limitations observed in current MLLMs, we trained MathFlow-P-7B as a dedicated perception model. Experimental results indicate that MathFlow-P-7B yields substantial performance gains when integrated with various closed-source and open-source inference models. This demonstrates the effectiveness of the MathFlow pipeline and its compatibility to diverse inference frameworks. The FlowVerse benchmark and code are available at https://github.com/MathFlow-zju/MathFlow.

This paper presents the computational challenge on differential geometry and topology that happened within the ICLR 2021 workshop "Geometric and Topological Representation Learning". The competition asked participants to provide creative contributions to the fields of computational geometry and topology through the open-source repositories Geomstats and Giotto-TDA. The challenge attracted 16 teams in its two month duration. This paper describes the design of the challenge and summarizes its main findings.

By defining combinatorial moves, we can define an equivalence relation on Gauss words called homotopy. In this paper we define a homotopy invariant of Gauss words. We use this to show that there exist Gauss words that are not homotopically equivalent to the empty Gauss word, disproving a conjecture by Turaev. In fact, we show that there are an infinite number of equivalence classes of Gauss words under homotopy.

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

We revisit the geometric theory of defects. In the differential-geometric models of defects that have been adopted since the 1950s, dislocations have been associated with torsion, disclinations with the full curvature, and point defects with the first kind trace of non-metricity. The mainstream formulation exhibits several conceptual and technical shortcomings, most notably a hierarchy inconsistency, the non-exictence of a genuine metric formulation, and the potential emergence of Ostrogradsky-type instabilities. These issues have motivated us to develop a new framework, namely a generalized teleparallel geometric theory of defects. In our model, dislocations are identified with the trace of torsion, disclinations with the second kind trace of the non-metricity, and point defects with the first kind trace of the non-metricity. In addition, we retain the scalar part torsion as a free parameter for describing some possible unknown degrees of freedom in the theory of defects. The proposed geometric theory of defects is free from all of the aforementioned drawbacks and is therefore worthy of further investigation. To ensure the coherence and completeness of the discussion, we begin our analysis with elastic deformations, then summarize the existing metric-affine geometric theory of defects, and finally proceed to our original contribution, namely the new theory introduced here. We formulate the entire theory in Eulerian coordinates. Naturally, all results can be reformulated in Lagrangian coordinates as well. All analyses and formulae are expressed in the language of exterior algebra and are carried out in coordinate-independent orthonormal frames.

While language models have exceptional capabilities at text generation, they lack a natural inductive bias for emitting numbers and thus struggle in tasks involving reasoning over quantities, especially arithmetics. This has particular relevance in scientific datasets where combinations of text and numerical data are abundant. One fundamental limitation is the nature of the CE loss, which assumes a nominal (categorical) scale and thus cannot convey proximity between generated number tokens. As a remedy, we here present two versions of a number token loss. The first is based on an L_p loss between the ground truth token value and the weighted sum of the predicted class probabilities. The second loss minimizes the Wasserstein-1 distance between the distribution of the predicted output probabilities and the ground truth distribution. These regression-like losses can easily be added to any language model and extend the CE objective during training. We compare the proposed schemes on a mathematics dataset against existing tokenization, encoding, and decoding schemes for improving number representation in language models. Our results reveal a significant improvement in numerical accuracy when equipping a standard T5 model with the proposed loss schemes.

As the probability (and thus perplexity) of a text is calculated based on the product of the probabilities of individual tokens, it may happen that one unlikely token significantly reduces the probability (i.e., increase the perplexity) of some otherwise highly probable input, while potentially representing a simple typographical error. Also, given that perplexity is a scalar value that refers to the entire input, information about the probability distribution within it is lost in the calculation (a relatively good text that has one unlikely token and another text in which each token is equally likely they can have the same perplexity value), especially for longer texts. As an alternative to scalar perplexity this research proposes a simple algorithm used to calculate vector values based on n-gram perplexities within the input. Such representations consider the previously mentioned aspects, and instead of a unique value, the relative perplexity of each text token is calculated, and these values are combined into a single vector representing the input.

Recent mesh generation approaches typically tokenize triangle meshes into sequences of tokens and train autoregressive models to generate these tokens sequentially. Despite substantial progress, such token sequences inevitably reuse vertices multiple times to fully represent manifold meshes, as each vertex is shared by multiple faces. This redundancy leads to excessively long token sequences and inefficient generation processes. In this paper, we propose an efficient framework that generates artistic meshes by treating vertices and faces separately, significantly reducing redundancy. We employ an autoregressive model solely for vertex generation, decreasing the token count to approximately 23\% of that required by the most compact existing tokenizer. Next, we leverage a bidirectional transformer to complete the mesh in a single step by capturing inter-vertex relationships and constructing the adjacency matrix that defines the mesh faces. To further improve the generation quality, we introduce a fidelity enhancer to refine vertex positioning into more natural arrangements and propose a post-processing framework to remove undesirable edge connections. Experimental results show that our method achieves more than 8times faster speed on mesh generation compared to state-of-the-art approaches, while producing higher mesh quality.

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.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

We show how the Schur-Weyl duality that exists between the partition algebra and the symmetric group results in a stronger theoretical foundation for characterising all of the possible permutation equivariant neural networks whose layers are some tensor power of the permutation representation M_n of the symmetric group S_n. In doing so, we unify two separate bodies of literature, and we correct some of the major results that are now widely quoted by the machine learning community. In particular, we find a basis of matrices for the learnable, linear, permutation equivariant layer functions between such tensor power spaces in the standard basis of M_n by using an elegant graphical representation of a basis of set partitions for the partition algebra and its related vector spaces. Also, we show how we can calculate the number of weights that must appear in these layer functions by looking at certain paths through the McKay quiver for M_n. Finally, we describe how our approach generalises to the construction of neural networks that are equivariant to local symmetries.

Leveraging representation encoders for generative modeling offers a path for efficient, high-fidelity synthesis. However, standard diffusion transformers fail to converge on these representations directly. While recent work attributes this to a capacity bottleneck proposing computationally expensive width scaling of diffusion transformers we demonstrate that the failure is fundamentally geometric. We identify Geometric Interference as the root cause: standard Euclidean flow matching forces probability paths through the low-density interior of the hyperspherical feature space of representation encoders, rather than following the manifold surface. To resolve this, we propose Riemannian Flow Matching with Jacobi Regularization (RJF). By constraining the generative process to the manifold geodesics and correcting for curvature-induced error propagation, RJF enables standard Diffusion Transformer architectures to converge without width scaling. Our method RJF enables the standard DiT-B architecture (131M parameters) to converge effectively, achieving an FID of 3.37 where prior methods fail to converge. Code: https://github.com/amandpkr/RJF

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

Language models are increasingly capable, yet still fail at a seemingly simple task of multi-digit multiplication. In this work, we study why, by reverse-engineering a model that successfully learns multiplication via implicit chain-of-thought, and report three findings: (1) Evidence of long-range structure: Logit attributions and linear probes indicate that the model encodes the necessary long-range dependencies for multi-digit multiplication. (2) Mechanism: the model encodes long-range dependencies using attention to construct a directed acyclic graph to ``cache'' and ``retrieve'' pairwise partial products. (3) Geometry: the model implements partial products in attention heads by forming Minkowski sums between pairs of digits, and digits are represented using a Fourier basis, both of which are intuitive and efficient representations that the standard fine-tuning model lacks. With these insights, we revisit the learning dynamics of standard fine-tuning and find that the model converges to a local optimum that lacks the required long-range dependencies. We further validate this understanding by introducing an auxiliary loss that predicts the ``running sum'' via a linear regression probe, which provides an inductive bias that enables the model to successfully learn multi-digit multiplication. In summary, by reverse-engineering the mechanisms of an implicit chain-of-thought model we uncover a pitfall for learning long-range dependencies in Transformers and provide an example of how the correct inductive bias can address this issue.

The higher Bruhat orders B(n,k) were introduced by Manin-Schechtman to study discriminantal hyperplane arrangements and subsequently studied by Ziegler, who connected B(n,k) to oriented matroids. In this paper, we consider the enumeration of B(n,k) and improve upon Balko's asymptotic lower and upper bounds on |B(n,k)| by a factor exponential in k. A proof of Ziegler's formula for |B(n,n-3)| is given and a bijection between a certain subset of B(n,n-4) and totally symmetric plane partitions is proved. Central to our proofs are deletion and contraction operations for the higher Bruhat orders, defined in analogy with matroids. Dual higher Bruhat orders are also introduced, and we construct isomorphisms relating the higher Bruhat orders and their duals. Additionally, weaving functions are introduced to generalize Felsner's encoding of elements in B(n,2) to all higher Bruhat orders B(n,k).

Recent 3D content generation pipelines often leverage Variational Autoencoders (VAEs) to encode shapes into compact latent representations, facilitating diffusion-based generation. Efficiently compressing 3D shapes while preserving intricate geometric details remains a key challenge. Existing 3D shape VAEs often employ uniform point sampling and 1D/2D latent representations, such as vector sets or triplanes, leading to significant geometric detail loss due to inadequate surface coverage and the absence of explicit 3D representations in the latent space. Although recent work explores 3D latent representations, their large scale hinders high-resolution encoding and efficient training. Given these challenges, we introduce Hyper3D, which enhances VAE reconstruction through efficient 3D representation that integrates hybrid triplane and octree features. First, we adopt an octree-based feature representation to embed mesh information into the network, mitigating the limitations of uniform point sampling in capturing geometric distributions along the mesh surface. Furthermore, we propose a hybrid latent space representation that integrates a high-resolution triplane with a low-resolution 3D grid. This design not only compensates for the lack of explicit 3D representations but also leverages a triplane to preserve high-resolution details. Experimental results demonstrate that Hyper3D outperforms traditional representations by reconstructing 3D shapes with higher fidelity and finer details, making it well-suited for 3D generation pipelines.

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

We give a complete characterization of the holonomies of strictly convex cusps and of round cusps in convex projective geometry. We build families of generalized cusps of non-maximal rank associated to each strictly convex or round cusp. We also extend Ballas-Cooper-Leitner's definition of generalized cusp to allow for virtually solvable fundamental group, and we produce the first such example with non-virtually nilpotent fundamental group. Along with a companion paper, this allows to build strictly convex cusps and generalized cusps whose fundamental group is any finitely generated virtually nilpotent group. This also has interesting consequences for the theory of relatively Anosov representations.

The question of whether there exists a finite group of order at least three in which every element except one is a commutator has remained unresolved in group theory. In this article, we address this open problem by developing an algorithmic approach that leverages several group theoretic properties of such groups. Specifically, we utilize a result of Frobenius and various necessary properties of such groups, combined with Plesken and Holt's extensive enumeration of finite perfect groups, to systematically examine all finite groups up to a certain order for the desired property. The computational core of our work is implemented using the computer system GAP (Groups, Algorithms, and Programming). We discover two nonisomorphic groups of order 368,640 that exhibit the desired property. Our investigation also establishes that this order is the minimum order for such a group to exist. As a result, this study provides a positive answer to Problem 17.76 in the Kourovka Notebook. In addition to the algorithmic framework, this paper provides a structural description of one of the two groups found.

If h is a ring-valued function on a simplicial complex G we can define two matrices L and g, where the matrix entries are the h energy of homoclinic intersections. We know that the sum over all h values on G is equal to the sum of the Green matrix entries g(x,y). We also have already seen that that the determinants of L or g are both the product of the h(x). In the case where h(x) is the parity of dimension, the sum of the energy values was the standard Euler characteristic and the determinant was a unit. If h(x) was the unit in the ring then L,g are integral quadratic forms which are isospectral and inverse matrices of each other. We prove here that the quadratic energy expression summing over all pairs h(x)^* h(y) of intersecting sets is a signed sum of squares of Green function entries. The quadratic energy expression is Wu characteristic in the case when h is dimension parity. For general h, the quadratic energy expression resembles an Ising Heisenberg type interaction. The conjugate of g is the inverse of L if h takes unit values in a normed ring or in the group of unitary operators in an operator algebra.

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations between stimuli over time. In machine learning, neural network architectures that respect symmetries of their data are called equivariant and have provable benefits in terms of generalization ability and sample efficiency. To date, however, equivariance has been considered only for static transformations and feed-forward networks, limiting its applicability to sequence models, such as recurrent neural networks (RNNs), and corresponding time-parameterized sequence transformations. In this work, we extend equivariant network theory to this regime of `flows' -- one-parameter Lie subgroups capturing natural transformations over time, such as visual motion. We begin by showing that standard RNNs are generally not flow equivariant: their hidden states fail to transform in a geometrically structured manner for moving stimuli. We then show how flow equivariance can be introduced, and demonstrate that these models significantly outperform their non-equivariant counterparts in terms of training speed, length generalization, and velocity generalization, on both next step prediction and sequence classification. We present this work as a first step towards building sequence models that respect the time-parameterized symmetries which govern the world around us.

Implicit neural representations (INR) have gained significant popularity for signal and image representation for many end-tasks, such as superresolution, 3D modeling, and more. Most INR architectures rely on sinusoidal positional encoding, which accounts for high-frequency information in data. However, the finite encoding size restricts the model's representational power. Higher representational power is needed to go from representing a single given image to representing large and diverse datasets. Our approach addresses this gap by representing an image with a polynomial function and eliminates the need for positional encodings. Therefore, to achieve a progressively higher degree of polynomial representation, we use element-wise multiplications between features and affine-transformed coordinate locations after every ReLU layer. The proposed method is evaluated qualitatively and quantitatively on large datasets like ImageNet. The proposed Poly-INR model performs comparably to state-of-the-art generative models without any convolution, normalization, or self-attention layers, and with far fewer trainable parameters. With much fewer training parameters and higher representative power, our approach paves the way for broader adoption of INR models for generative modeling tasks in complex domains. The code is available at https://github.com/Rajhans0/Poly_INR

The choice of approximate posterior distribution is one of the core problems in variational inference. Most applications of variational inference employ simple families of posterior approximations in order to allow for efficient inference, focusing on mean-field or other simple structured approximations. This restriction has a significant impact on the quality of inferences made using variational methods. We introduce a new approach for specifying flexible, arbitrarily complex and scalable approximate posterior distributions. Our approximations are distributions constructed through a normalizing flow, whereby a simple initial density is transformed into a more complex one by applying a sequence of invertible transformations until a desired level of complexity is attained. We use this view of normalizing flows to develop categories of finite and infinitesimal flows and provide a unified view of approaches for constructing rich posterior approximations. We demonstrate that the theoretical advantages of having posteriors that better match the true posterior, combined with the scalability of amortized variational approaches, provides a clear improvement in performance and applicability of variational inference.

We present Symphony, an E(3)-equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree E(3)-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models.

Convolution is a broadly useful operation with applications including signal processing, machine learning, probability, optics, polynomial multiplication, and efficient parsing. Usually, however, this operation is understood and implemented in more specialized forms, hiding commonalities and limiting usefulness. This paper formulates convolution in the common algebraic framework of semirings and semimodules and populates that framework with various representation types. One of those types is the grand abstract template and itself generalizes to the free semimodule monad. Other representations serve varied uses and performance trade-offs, with implementations calculated from simple and regular specifications. Of particular interest is Brzozowski's method for regular expression matching. Uncovering the method's essence frees it from syntactic manipulations, while generalizing from boolean to weighted membership (such as multisets and probability distributions) and from sets to n-ary relations. The classic trie data structure then provides an elegant and efficient alternative to syntax. Pleasantly, polynomial arithmetic requires no additional implementation effort, works correctly with a variety of representations, and handles multivariate polynomials and power series with ease. Image convolution also falls out as a special case.

Implicit neural representations (INRs) recently achieved great success in image representation and compression, offering high visual quality and fast rendering speeds with 10-1000 FPS, assuming sufficient GPU resources are available. However, this requirement often hinders their use on low-end devices with limited memory. In response, we propose a groundbreaking paradigm of image representation and compression by 2D Gaussian Splatting, named GaussianImage. We first introduce 2D Gaussian to represent the image, where each Gaussian has 8 parameters including position, covariance and color. Subsequently, we unveil a novel rendering algorithm based on accumulated summation. Remarkably, our method with a minimum of 3times lower GPU memory usage and 5times faster fitting time not only rivals INRs (e.g., WIRE, I-NGP) in representation performance, but also delivers a faster rendering speed of 1500-2000 FPS regardless of parameter size. Furthermore, we integrate existing vector quantization technique to build an image codec. Experimental results demonstrate that our codec attains rate-distortion performance comparable to compression-based INRs such as COIN and COIN++, while facilitating decoding speeds of approximately 1000 FPS. Additionally, preliminary proof of concept shows that our codec surpasses COIN and COIN++ in performance when using partial bits-back coding.

It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.

A Harris Graph is a tough, Eulerian, non-Hamiltonian graph. Several approaches to creating new Harris graphs from existing ones are explored, including creating families of Harris graphs and combining Harris graphs. Pictures of all Harris Graphs through order 9 and the number of Harris graphs through order 12 are included. We also prove a result about barnacle-free Harris graphs.

We develop data-driven methods for incorporating physical information for priors to learn parsimonious representations of nonlinear systems arising from parameterized PDEs and mechanics. Our approach is based on Variational Autoencoders (VAEs) for learning from observations nonlinear state space models. We develop ways to incorporate geometric and topological priors through general manifold latent space representations. We investigate the performance of our methods for learning low dimensional representations for the nonlinear Burgers equation and constrained mechanical systems.

Solving math story problems is a complex task for students and NLP models alike, requiring them to understand the world as described in the story and reason over it to compute an answer. Recent years have seen impressive performance on automatically solving these problems with large pre-trained language models and innovative techniques to prompt them. However, it remains unclear if these models possess accurate representations of mathematical concepts. This leads to lack of interpretability and trustworthiness which impedes their usefulness in various applications. In this paper, we consolidate previous work on categorizing and representing math story problems and develop MathWorld, which is a graph-based semantic formalism specific for the domain of math story problems. With MathWorld, we can assign world models to math story problems which represent the situations and actions introduced in the text and their mathematical relationships. We combine math story problems from several existing datasets and annotate a corpus of 1,019 problems and 3,204 logical forms with MathWorld. Using this data, we demonstrate the following use cases of MathWorld: (1) prompting language models with synthetically generated question-answer pairs to probe their reasoning and world modeling abilities, and (2) generating new problems by using the world models as a design space.

Mathematical reasoning is an increasingly important indicator of large language model (LLM) capabilities, yet we lack understanding of how LLMs process even simple mathematical tasks. To address this, we reverse engineer how three mid-sized LLMs compute addition. We first discover that numbers are represented in these LLMs as a generalized helix, which is strongly causally implicated for the tasks of addition and subtraction, and is also causally relevant for integer division, multiplication, and modular arithmetic. We then propose that LLMs compute addition by manipulating this generalized helix using the "Clock" algorithm: to solve a+b, the helices for a and b are manipulated to produce the a+b answer helix which is then read out to model logits. We model influential MLP outputs, attention head outputs, and even individual neuron preactivations with these helices and verify our understanding with causal interventions. By demonstrating that LLMs represent numbers on a helix and manipulate this helix to perform addition, we present the first representation-level explanation of an LLM's mathematical capability.

In this paper, we present a general framework for the derivation of interesting finite combinatorial sums starting with certain classes of polynomial identities. The sums that can be derived involve products of binomial coefficients and also harmonic numbers and squared harmonic numbers. We apply the framework to discuss combinatorial sums associated with some prominent polynomial identities from the recent past.

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.

We study the performance of transformers as a function of the number of repetitions of training examples with algorithmically generated datasets. On three problems of mathematics: the greatest common divisor, modular multiplication, and matrix eigenvalues, we show that for a fixed number of training steps, models trained on smaller sets of repeated examples outperform models trained on larger sets of single-use examples. We also demonstrate that two-set training - repeated use of a small random subset of examples, along normal sampling on the rest of the training set - provides for faster learning and better performance. This highlights that the benefits of repetition can outweigh those of data diversity. These datasets and problems provide a controlled setting to shed light on the still poorly understood interplay between generalization and memorization in deep learning.

An implicit Euler finite-volume scheme for a nonlocal cross-diffusion system on the multidimensional torus is analyzed. The equations describe the dynamics of population species with repulsive or attractive interactions. The numerical scheme is based on a generalized Scharfetter-Gummel discretization of the nonlocal flux term. For merely integrable kernel functions, the scheme preserves the positivity, total mass, and entropy structure. The existence of a discrete solution and its convergence to a solution to the continuous problem, as the mesh size tends to zero, are shown. A key difficulty is the degeneracy of the generalized Bernoulli function in the Scharfetter-Gummel approximation. This issue is overcome by proving a uniform estimate for the discrete Fisher information, which requires both the Boltzmann and Rao entropy inequalities. Numerical simulations illustrate the features of the scheme in one and two space dimensions.

Manifold-valued measurements exist in numerous applications within computer vision and machine learning. Recent studies have extended Deep Neural Networks (DNNs) to manifolds, and concomitantly, normalization techniques have also been adapted to several manifolds, referred to as Riemannian normalization. Nonetheless, most of the existing Riemannian normalization methods have been derived in an ad hoc manner and only apply to specific manifolds. This paper establishes a unified framework for Riemannian Batch Normalization (RBN) techniques on Lie groups. Our framework offers the theoretical guarantee of controlling both the Riemannian mean and variance. Empirically, we focus on Symmetric Positive Definite (SPD) manifolds, which possess three distinct types of Lie group structures. Using the deformation concept, we generalize the existing Lie groups on SPD manifolds into three families of parameterized Lie groups. Specific normalization layers induced by these Lie groups are then proposed for SPD neural networks. We demonstrate the effectiveness of our approach through three sets of experiments: radar recognition, human action recognition, and electroencephalography (EEG) classification. The code is available at https://github.com/GitZH-Chen/LieBN.git.

Fast, geometry-generalizing surrogates for unsteady flow remain challenging. We present a time-dependent, geometry-aware Deep Operator Network that predicts velocity fields for moderate-Re flows around parametric and non-parametric shapes. The model encodes geometry via a signed distance field (SDF) trunk and flow history via a CNN branch, trained on 841 high-fidelity simulations. On held-out shapes, it attains sim 5% relative L2 single-step error and up to 1000X speedups over CFD. We provide physics-centric rollout diagnostics, including phase error at probes and divergence norms, to quantify long-horizon fidelity. These reveal accurate near-term transients but error accumulation in fine-scale wakes, most pronounced for sharp-cornered geometries. We analyze failure modes and outline practical mitigations. Code, splits, and scripts are openly released at: https://github.com/baskargroup/TimeDependent-DeepONet to support reproducibility and benchmarking.