Product Spaces

Whitney's theorem allows isomorphism testing for connected simple graphs, apart from $K_3$ and $K_{1,3}$, to be formulated as distinguishing their line graphs. However, the relation between fixed-dimensional Weisfeiler--Leman (WL) expressivity on line graphs and on their roots remains unresolved. We study this relation through Implicit Line-Graph WL (ILG-$k$-WL), which is exactly $k$-WL on $L(G)$, executed over the edges of $G$ with line-graph relations derived from endpoint incidence and without explicitly constructing $L(G)$. On the Whitney-general class, the relation between root-domain and line-graph WL depends on $k$. For $k=1,2$, ILG-$k$-WL adds no distinguishing power beyond root-domain $1$-WL and misses some pairs that $1$-WL separates. For $k=3$, we prove the backward containment $L(G)\equiv_{3\text{-WL}}L(H)\Rightarrow G\equiv_{3\text{-WL}}H$. Strongly regular witness pairs, including the Shrikhande/rook pair, show that ILG-$3$-WL is strictly more expressive than $3$-WL. The backward containment also extends to disconnected graphs with no isolated vertices when every connected component is Whitney-general. Deterministic ILG-$3$-WL separates all three substructure-counting witness pairs, all $105$ pairs in SR25, and $359$ of $400$ BREC pairs. An untrained dense ILG-$3$-GNN gives the same pairwise verdicts on these evaluations.

This paper extends the fixed-point bundle framework for finite-dimensional variational inequalities (VIs) from the simplex domain to the product-of-simplex domain, which is directly applicable to solving Nash equilibria. The fixed-point bundle for VIs on the product-of-simplex domain reveals a composite fiber bundle structure. The key innovation is to construct an equivalent VI on the simplex domain and establish the equivalence between the two fixed-point bundle frameworks via a fiber bundle isomorphism. Exploiting this geometric equivalence, the predictor-corrector path-following algorithm for the VI on the product-of-simplex domain is shown to inherit the convergence guarantee of the simplex-domain framework, namely, global convergence with linear gap reduction near solutions. Numerical experiments on 5600 randomly generated instances with dimensions ranging from 2-player 128-action to 128-player 2-action demonstrate robust performance. The algorithm converges in every tested instance.

Task-specific LoRA adapters offer a modular way to specialize large language and vision-language models. However, existing adapter composition methods are mostly static and cannot adapt to individual test inputs. To address these issues, we propose \textbf{LiST}, a label-free test-time LoRA fusion framework that converts an existing LoRA bank into a target-conditioned local simplex and searches sample-specific fusion weights at inference time. LiST builds joint task representations from LoRA parameter anchors and prompt-level behavior vectors, retrieves neighboring adapters as a local search space, and performs branch-preserving fusion without updating the backbone or adapters. Candidate weights are selected by a prompt-level energy with prior, geometric, and stochastic-consistency constraints, and are deployed only when they pass a safe acceptance rule. Otherwise, LiST falls back to a target-conditioned prior. Experiments on multimodal and language benchmarks show that LiST outperforms static LoRA merging and conventional test-time adaptation baselines, while preserving task-specific adapter utility and improving robustness on unseen tasks.

We revisit higher-arity atomic concept learning through the geometry of hypercubes and hyperplanes of ground instances. Our starting point is the observation that the ambient r-dimensional hypercube of ground atoms is not structurally uniform. Its logical complexity is organized by hyperplanes: every hyperplane other than the full diagonal collapses into finitely many elementary-equivalence classes, with a bound independent of the term depth, while the full diagonal is exceptional and its class count grows without bound. This asymmetry is not merely geometric. It reflects the reduction-theoretic structure of the concepts themselves. Building on a higher-dimensional framework developed in the author's earlier work, we reinterpret these results through canonical simple concepts, minimal orderings, and representative reductions. This yields a taxonomy of hyperplane behavior in higher dimensions and shows that complexity is localized rather than spread uniformly through the instance space. The paper includes a fully worked binary case, an explicit treatment of the ternary hypercube, and an unpacked account of the reduction machinery that drives the collapse. The three-dimensional case already exhibits the essential phenomenon of orthogonal families, partial diagonals, and the exceptional full diagonal. This geometric-logical perspective clarifies where complexity is concentrated in atomic concept learning and suggests a modern interpretation in terms of constrained hypothesis spaces and structured classification.

We consider optimization problems defined on product spaces of simplices. Examples of this class of problems include learning low-rank discrete multivariate probability distributions via simplex constrained tensor decomposition and performing functional data registration under the Square Root Velocity Function (SRVF) representation. In this work, we demonstrate the feasibility of replacing the product simplex with a smooth, elementwise strictly convex reparameterization, resulting in an unconstrained optimization problem on a manifold. We show that performing such a reparameterization results in the second order Karush-Kuhn-Tucker (KKT) points on the smooth manifold being mapped to the weak second order KKT points on the product simplex. This leads to a Riemannian Gradient Descent (RGD) algorithm for solving the reparameterized problem, which outperforms Projected Gradient Descent (PGD), and provides a more faithful representation of the original function shapes while performing curve registration.

In many classification problems, reliable instance-level labels are unavailable. However, it is often possible to construct weakly enriched unlabeled samples: datasets selected by different cuts, sources, populations, or experimental conditions that change latent class proportions without revealing them. Classification without Labels (CWoLa) shows that, in the binary case ($K=2$), a classifier trained to distinguish two impure mixtures with different class proportions can recover an optimal class discriminator without knowing the mixture proportions. We extend this principle to multiclass learning from several unlabeled mixtures ($K>2$), where the learner observes only mixture identity and neither latent class labels nor class-prior matrices. We prove that, for a multiclass mixture model, the Bayes-optimal mixture classifier $g^\star$ maps data points into a $(K-1)$-simplex embedded in mixture-posterior space. The $K$ vertices of this simplex are induced by the latent classes through the unknown mixing matrix. Leveraging this geometry, we propose prior-free procedures that train a standard classifier to distinguish mixture identities and then extract latent class structure using either post-hoc simplex fitting or a bottleneck architecture. Experiments on MNIST, CIFAR-10, and Galaxy10 DECaLS show that mixture identity alone can recover latent classes and their fractions in the mixture. By narrowing the gap between weakly supervised and fully supervised performance, we provide a mathematically grounded, scalable tool for multiclass discovery in label-scarce domains.

The specification number $σ_n(f)$ of a Boolean threshold function $f$ on $n$ variables is the least number of points whose $f$-values determine $f$ uniquely among all threshold functions. Its essential points form the unique minimum such set. We develop Zuev's geometric interpretation: the threshold functions are the chambers of a central hyperplane arrangement in the $(n+1)$-dimensional space of weights and thresholds, and the essential points of a function correspond exactly to the facets of its chamber, so the specification number is the chamber's facet number. The lower bound $σ_n(f)\ge n+1$ becomes the fact that a pointed full-dimensional cone has at least $n+1$ facets, with equality for simplicial chambers. The average specification number $\overlineσ_n$ becomes an average facet count. We evaluate this average exactly via the resonance arrangement and bound it through a theorem of Fukuda, Tamura, and Tokuyama, obtaining $\overlineσ_n\le 2n$; hence $\overlineσ_n=Θ(n)$. This settles a question of Gutekunst, Mészáros, and Petersen. The method also extends to polynomial threshold functions. The same geometry links threshold functions with a threshold zonotope, whose vertices are modified Chow vectors. Its one-skeleton is the one-inclusion graph, and a vertex's degree is the specification number of that function. Finally, we treat the operations of Lozin et al. on functions of minimum specification number. Adding a variable and extending on a variable both take the product of a chamber closure with a half-line, preserving simpliciality. For the symmetric-variables extension we give an exact thresholdness criterion and show that minimum specification number is preserved whenever the extension is a threshold function. We also resolve a question they pose concerning a fourth operation.

Learning compatible representations aims to learn feature representations that can be used interchangeably over time whenever a model undergoes updates. In this paper, we demonstrate that stationary representations learned by d-Simplex fixed classifiers imply compatibility as in its formal definition. This result establishes a foundation for future works and can be directly exploited in practical learning scenarios. We address the challenge of learning compatibility using $d$-Simplex fixed classifiers when the model is sequentially fine-tuned. Learning according to a d-Simplex fixed classifier with the cross-entropy loss aligns feature distributions at the first-order statistics. Consequently, it may not fully capture higher-order dependencies in the representation between model updates. To address this issue, we demonstrate that training the model using a $d$-Simplex fixed classifier through a convex combination of the cross-entropy loss and a contrastive loss not only captures higher-order dependencies, but is also equivalent to learning with the cross-entropy under the compatibility constraints. We confirm our findings with extensive experiments also considering a new scenario where a pre-trained model is sequentially fine-tuned and occasionally replaced with an improved model. We show that stationary representations enable uninterrupted retrieval services (without reprocessing gallery images) while improving performance during model updates and replacements, achieving state-of-the-art. Code at https://github.com/miccunifi/iamcl2r.

Compositional data -- vectors encoding relative proportions -- arise across scientific domains, including ecology, geochemistry, and genomics. The features in these data often come with known hierarchical structure (e.g., taxonomies, phylogenies, ontologies), yet existing methods either ignore this structure, discard the intrinsic Aitchison geometry, are designed for binary trees, or yield incomplete coordinate systems. We describe PolyILR, a canonical orthonormal decomposition of the Aitchison tangent space aligned with any tree topology. Our construction defines a weighted local geometry at each internal node capturing full branching structure, then lifts these to a global orthonormal basis where every coordinate corresponds to a specific tree location. On microbiome and single-cell benchmarks, PolyILR yields stable, interpretable features and enables inference at multiscale tree resolution. We also establish a novel theoretical connection to softmax classifiers, suggesting possible applications to probabilistic modeling.

We analyze the two combinatorial problems of Dominating Set and Vertex Coloring regarding what kind of local optima are present for various instances. For a variety of graph classes each, we determine whether the induced landscapes are unimodal, plateau-unimodal (all optima are just one plateau), equimodal (all local optima are global) or truly multimodal. We do this for two different neighborhood operators, one based on making only a single change and one also allowing swaps (interchanging two parts of the solution).

We present an algorithmic framework for incremental maintenance of first sheaf cohomology $H^1(X; \mathcal{F})$ on dynamically evolving 1-dimensional cellular complexes equipped with finite-dimensional cellular sheaves. The classical computation of $H^1$ via factorization of the coboundary matrix requires $O(n^3)$ time; when the complex evolves with a stream of $m$ edits, full recomputation after each edit costs $O(mn^3)$. Under a bounded local geometry assumption -- bounded cell size $v_{\max}$, bounded stalk dimension $d$, and bounded nerve degree $D$ -- each edit (vertex insertion, edge insertion, restriction map update) affects only a bounded set of local coboundary blocks. The algorithm therefore processes lazy streaming edits in $O(1)$ time with respect to the total complex size $n$ (with cost polynomial in the local geometry parameters $v_{\max}$, $d$, and $D$, which are treated as constants independent of $n$), deferring local eigensolves and Mayer-Vietoris global assembly to synchronization points (Flush). At synchronization, the maintained state agrees with the corresponding batch assembly of the partitioned sheaf model; we observe zero measured drift in all batch-verified runs (through $V = 10^6$). We also give an amortized $O(|E|)$ streaming construction for the cellular decomposition and discuss an adversarial algebraic-RAM barrier arguing that unpartitioned non-trivial sheaves ($d \geq 2$, non-identity restriction maps) do not admit the same locality. Experiments on Barabasi-Albert graphs with up to $5 \times 10^6$ vertices and $1.7 \times 10^7$ streaming edits show 35 $μ$s median lazy per-edit update latency (excluding flush); query time (global assembly at synchronization) is $O(n)$ per flush in the implemented full-traversal path. Exact synchronization costs are reported separately.

Mixed-combinatorial nonlinear programming (MCNLP) problems arise in many engineering design and planning applications, e.g., due to categorical, component, and geometric design choices, as well as joint task and motion planning. Traditional representations of combinatorial spaces, such as integer or binary encoding, often introduce spurious relations, increase dimensionality, and require additional compatibility constraints. Instead, this paper draws on recent developments in robot planning and vehicle/network routing domains that aim to learn search heuristics over combinatorial spaces using graph neural networks (GNNs). More specifically, this paper presents a first-of-its-kind structured abstraction of the combinatorial space by learning a mapping from an undirected fully connected graph of combinations to a directed graph indicating improvement directions using an Edge Field Graph Network (EFGN). To demonstrate the utility of this new way of abstracting the combinatorial space in solving MCNLPs, we adopt a recent optimization framework that purely searches over the non-combinatorial (e.g., continuous) variables and retrieves the best-suited combination for each candidate design by using the abstraction model, akin to a recommender system. The presented direction-aware abstraction model provides a potentially more scalable and interpretable retrieval of combinations compared to the original recommendation system in that framework. For evaluation, the proposed method is integrated with a well-known particle swarm optimization and genetic algorithm solvers on three benchmark nonlinear problems with varying numbers of combinations and variables. Compared to baseline solvers using indexified combinations, the GNN-based recommender consistently achieves better mean optimum values and robustness across multiple runs.

Graph neural networks (GNNs) are limited to modeling pairwise interactions, while higher-order models based on cell complexes achieve greater expressivity but often suffer from poor scalability. We introduce simplified and factored cellular Weisfeiler Leman tests (sCWL and fCWL), which preserve the expressivity of the CWL test while improving computational efficiency. We further introduce the maximal clique complex, enabling scalable CWNs with reduced time and memory complexity while retaining strong empirical performance. To avoid explicit clique enumeration, we propose CliqueWalk, a biased random walk that samples maximal cliques and scales linearly with graph size. These contributions yield a scalable topological learning framework for higher-order graph representation.

Vision-Language-Action (VLA) models commonly adapt pretrained Vision-Language Models (VLMs) to robot control by mapping visual observations and language instructions to continuous actions. Existing approaches typically take an action-insufficiency view, assuming that pretrained VLM latents either lack directly usable action information or should be shielded from action-learning signals. Against this view, our \textit{Quotient Theory for VLA} shows that pretrained VLM latents are not action-insufficient but action-sufficient: they already contain the information needed for control, yet remain overcomplete by distinguishing prompt-level variations that induce the same optimal action behavior. To operationalize this theory, we propose QuoVLA, a quotient-space framework for VLA that compresses pretrained VLM latents into action-sufficient representations. Specifically, QuoVLA instantiates this principle with a quantization module and a dual-branch design with relative temporal-complexity regularization, preserving action-relevant information while removing prompt-level redundancy. Extensive experiments across multiple benchmarks demonstrate that QuoVLA achieves strong performance, with particularly notable improvements in generalization under visual, linguistic, and environmental distribution shifts. Our code will be made publicly available.

We study the contradiction graphs associated with binary concept classes. For a class $H \subseteq \{0,1\}^X$, the order-$m$ contradiction graph $G_m(H)$ has as vertices the $H$-realizable labeled sequences of length $m$, with two vertices adjacent when the two sequences assign opposite labels to some common domain point. Our main result is that the single graph $G_m(H)$ determines the threshold predicate $\mathrm{VCdim}(H)\ge m$. Consequently, the full sequence $(G_m(H))_{m \ge 1}$ determines the exact VC dimension and, in particular, detects finite versus infinite VC dimension, answering a question posed by Alon et al. (2024).

Contrastive learning (CL) aims to preserve relational structure between samples by learning representations that reflect a similarity graph. Yet, the geometry of the resulting embeddings remains poorly understood. Here we show that weighted InfoNCE objectives can be interpreted as Distance Geometry Problems, where the weighting scheme specifies the target geometry to be realized by the representation. This viewpoint yields exact characterizations of the optimal embeddings for several supervised and weakly supervised objectives. In supervised classification, both SupCon and Soft SupCon (a dense relaxation of it where pairs from distinct classes have small non-zero similarity) collapse samples within each class to a single prototype. However, while balanced SupCon recovers the classical regular simplex geometry, class imbalance breaks this symmetry: SupCon induces non-uniform inter-class similarities depending on class sizes, whereas Soft SupCon preserves a regular simplex geometry regardless of class imbalance. In continuous-label settings, our framework reveals a different failure mode: y-Aware CL generally cannot attain its entropic optimum unless the labels lie on a hypersphere, exposing a mismatch between Euclidean label weights and spherical latent similarity. By contrast, geometrically consistent choices such as Euclidean-Euclidean weighting or X-CLR admit unique optimal embeddings. Our results show that the choice of weighting scheme determines whether contrastive learning is geometrically realizable, degenerate, or inconsistent, providing a principled framework for designing contrastive objectives.

Recently, a series of works have started studying variations of concepts from learning theory for product spaces, which can be collected under the name high-arity learning theory. In this work, we consider a high-arity variant of sample compression schemes and we prove that the existence of a high-arity sample compression scheme of non-trivial quality implies high-arity PAC learnability.

The Weisfeiler--Lehman (WL) test and its simplicial extension (SWL) characterize the combinatorial expressivity of message passing networks, but they are blind to geometry, i.e., meshes with identical connectivity but different embeddings are indistinguishable. We introduce the Geometric Simplicial Weisfeiler--Lehman (GSWL) test, which incorporates vertex coordinates into color refinement for geometric simplicial complexes. In addition, we show that (i) the expressivity of geometry-aware simplicial message passing schemes is bounded above by GSWL, and (ii) that there exist parameters such that the discriminating power of GSWL is matched by these schemes on any fixed finite family of geometric simplicial complexes. Combined with the Euler Characteristic Transform (ECT), a complete invariant for geometric simplicial complexes, this yields a geometric expressivity characterization together with an approximation framework. Experiments on synthetic and mesh datasets serve to validate our theory, showing a clear hierarchy from combinatorial to geometry-aware models.

Graph neural tangent kernels give a principled infinite-width theory for graph neural networks, but inherit a basic limitation of graph models: they see only pairwise structure. Many relational systems contain higher-order interactions that are more naturally represented by simplicial complexes. We introduce the Topological Neural Tangent Kernel (TopoNTK), an infinite-width kernel for simplicial message passing on edge features. TopoNTK combines lower Hodge interactions, capturing graph-like coupling through shared vertices, with upper Hodge interactions, capturing coupling through filled simplices. This makes the kernel sensitive to topology invisible to graph kernels, allowing complexes with the same graph but different filled simplices to induce different kernels. Beyond expressivity, the Hodge structure gives the kernel an interpretable learning geometry. Edge signals decompose into gradient-like, harmonic, and local circulation components, and the spectrum of the TopoNTK determines how quickly each component is learned. This yields a topological form of spectral bias: components aligned with large-eigenvalue modes are learned quickly, while global harmonic modes, retained through the residual channel, often lie at smaller eigenvalues and are learned more slowly. We prove expressivity, Hodge-alignment, spectral learning, and stability properties, and validate them on synthetic simplicial tasks and DBLP higher-order link prediction. The results show that topology is not merely extra structure; it can provide coordinates that make relational learning more faithful, interpretable, and effective.

Topological neural networks have emerged as effective tools for modeling higher-order relational structures beyond pairwise graphs, including hypergraphs, simplicial complexes, and cell complexes. However, existing Weisfeiler-Leman type expressivity analyses are typically developed on different structural domains and rely on domain-specific neighborhood systems, making their expressive powers difficult to compare within a common formalism. In this paper, we introduce the Combinatorial Complex Weisfeiler-Leman (CCWL) framework, a unified expressive power refinement defined on combinatorial complexes. By exploiting the ability of combinatorial complexes to represent both set-type relations and part-whole hierarchies, CCWL performs topological color refinement through four structural neighborhoods: boundary, co-boundary, lower adjacency, and upper adjacency. We show that, under specified lifting maps, CCWL can simulate several domain-specific WL-type refinements, thereby providing a common theoretical baseline for analyzing topological message passing. We further study the neighborhood sufficiency problem and prove that, under explicit coverage conditions, a reduced refinement using only lower- and upper-adjacent bridge information preserves the distinguishing power of the full four-neighborhood CCWL refinement. Guided by this theoretical result, we instantiate the reduced refinement as the Combinatorial Complex Isomorphism Network (CCIN). Experiments on synthetic and real-world benchmarks demonstrate that CCIN achieves competitive performance against representative graph and topological neural network baselines. Ablation studies and resource-efficiency analyses further support the effectiveness of the proposed lower/upper-neighborhood design.

Persistent homology (PH) encodes global information, such as cycles, and is thus increasingly integrated into graph neural networks (GNNs). PH methods in GNNs typically traverse an increasing sequence of subgraphs. In this work, we first expose limitations of this inclusion procedure. To remedy these shortcomings, we analyze contractions as a principled topological operation, in particular, for graph representation learning. We study the persistence of contraction sequences, which we call Contraction Homology (CH). We establish that forward PH and CH differ in expressivity. We then introduce Hourglass Persistence, a class of topological descriptors that interleave a sequence of inclusions and contractions to boost expressivity, learnability, and stability. We also study related families parametrized by two paradigms. We also discuss how our framework extends to simplicial and cellular networks. We further design efficient algorithms that are pluggable into end-to-end differentiable GNN pipelines, enabling consistent empirical improvements over many PH methods across standard real-world graph datasets. Code is available at \href{https://github.com/Aalto-QuML/Hourglass}{this https URL}.

Originating in game theory, Shapley values are widely used for explaining a machine learning model's prediction by quantifying the contribution of each feature's value to the prediction. This requires a scalar prediction as in binary classification, whereas a multiclass probabilistic prediction is a discrete probability distribution, living on a multidimensional simplex. In such a multiclass setting the Shapley values are typically computed separately on each class in a one-vs-rest manner, ignoring the compositional nature of the output distribution. In this paper, we introduce Shapley compositions as a well-founded way to properly explain a multiclass probabilistic prediction, using the Aitchison geometry from compositional data analysis. We prove that the Shapley composition is the unique quantity satisfying linearity, symmetry and efficiency on the Aitchison simplex, extending the corresponding axiomatic properties of the standard Shapley value. We demonstrate this proper multiclass treatment in a range of scenarios.

For deep learning problems on graph-structured data, pooling layers are important for down sampling, reducing computational cost, and to minimize overfitting. We define a pooling layer, nervePool, for data structured as simplicial complexes, which are generalizations of graphs that include higher-dimensional simplices beyond vertices and edges; this structure allows for greater flexibility in modeling higher-order relationships. The proposed simplicial coarsening scheme is built upon partitions of vertices, which allow us to generate hierarchical representations of simplicial complexes, collapsing information in a learned fashion. NervePool builds on the learned vertex cluster assignments and extends to coarsening of higher dimensional simplices in a deterministic fashion. While in practice the pooling operations are computed via a series of matrix operations, the topological motivation is a set-theoretic construction based on unions of stars of simplices and the nerve complex.