For a given set of points, define a value called "weight" for each point in (a),

Spatial graphs are particular graphs for which the nodes are localized in space (e.g., public transport network, molecules, branching biological structures). In this work, we consider the problem of spatial graph reduction, that aims to find a smaller spatial graph (i.e., with less nodes) with the same overall structure as the initial one. In this context, performing the graph reduction while preserving the main topological features of the initial graph is particularly relevant, due to the additional spatial information. Thus, we propose a topological spatial graph coarsening approach based on a new framework that finds a trade-off between the graph reduction and the preservation of the topological characteristics. The coarsening is realized by collapsing short edges. In order to capture the topological information required to calibrate the reduction level, we adapt the construction of classical topological descriptors made for point clouds (the so-called persistent diagrams) to spatial graphs. This construction relies on the introduction of a new filtration called triangle-aware graph filtration. Our coarsening approach is parameter-free and we prove that it is equivariant under rotations, translations and scaling of the initial spatial graph. We evaluate the performances of our method on synthetic and real spatial graphs, and show that it significantly reduces the graph sizes while preserving the relevant topological information.

Representational limits of message-passing graph neural networks (MP-GNNs), e.g., in terms of the Weisfeiler-Leman (WL) test for isomorphism, are well understood. Augmenting these graph models with topological features via persistent homology (PH) has gained prominence, but identifying the class of attributed graphs that PH can recognize remains open. We introduce a novel concept of color-separating sets to provide a complete resolution to this important problem. Specifically, we establish the necessary and sufficient conditions for distinguishing graphs based on the persistence of their connected components, obtained from filter functions on vertex and edge colors. Our constructions expose the limits of vertex-and edge-level PH, proving that neither category subsumes the other. Leveraging these theoretical insights, we propose RePHINE for learning topological features on graphs. RePHINE efficiently combines vertex-and edge-level PH, achieving a scheme that is provably more powerful than both. Integrating RePHINE into MP-GNNs boosts their expressive power, resulting in gains over standard PH on several benchmarks for graph classification.

We propose PLLay, a novel topological layer for general deep learning models based on persistence landscapes, in which we can efficiently exploit the underlying topological features of the input data structure. In this work, we show differentiability with respect to layer inputs, for a general persistent homology with arbitrary filtration. Thus, our proposed layer can be placed anywhere in the network and feed critical information on the topological features of input data into subsequent layers to improve the learnability of the networks toward a given task. A task-optimal structure of PLLay is learned during training via backpropagation, without requiring any input featurization or data preprocessing. We provide a novel adaptation for the DTM function-based filtration, and show that the proposed layer is robust against noise and outliers through a stability analysis. We demonstrate the effectiveness of our approach by classification experiments on various datasets.

Kernel density estimation is a key component of a wide variety of algorithms in machine learning, Bayesian inference, stochastic dynamics and signal processing. However, the unsupervised density estimation technique requires tuning a crucial hyperparameter: the kernel bandwidth. The choice of bandwidth is critical as it controls the bias-variance trade-off by over- or under-smoothing the topological features. Topological data analysis provides methods to mathematically quantify topological characteristics, such as connected components, loops, voids et cetera, even in high dimensions where visualization of density estimates is impossible. In this paper, we propose an unsupervised learning approach using a topology-based loss function for the automated and unsupervised selection of the optimal bandwidth and benchmark it against classical techniques -- demonstrating its potential across different dimensions.

Traditional feature engineering approaches for molecular sequence classification suffer from sparsity issues and computational complexity, while deep learning models often underperform on tabular biological data. This paper introduces a novel topological approach that transforms molecular sequences into images by combining Chaos Game Representation (CGR) with Rips complex construction from algebraic topology. Our method maps sequence elements to 2D coordinates via CGR, computes pairwise distances, and constructs Rips complexes to capture both local structural and global topological features. We provide formal guarantees on representation uniqueness, topological stability, and information preservation. Extensive experiments on anticancer peptide datasets demonstrate superior performance over vector-based, sequence language models, and existing image-based methods, achieving 86.8\% and 94.5\% accuracy on breast and lung cancer datasets, respectively. The topological representation preserves critical sequence information while enabling effective utilization of vision-based deep learning architectures for molecular sequence analysis.

Deep learning models have achieved remarkable success across various domains, yet their learned representations and decision-making processes remain largely opaque and hard to interpret. This work introduces HOLE (Homological Observation of Latent Embeddings), a method for analyzing and interpreting deep neural networks through persistent homology. HOLE extracts topological features from neural activations and presents them using a suite of visualization techniques, including Sankey diagrams, heatmaps, dendrograms, and blob graphs. These tools facilitate the examination of representation structure and quality across layers. We evaluate HOLE on standard datasets using a range of discriminative models, focusing on representation quality, interpretability across layers, and robustness to input perturbations and model compression. The results indicate that topological analysis reveals patterns associated with class separation, feature disentanglement, and model robustness, providing a complementary perspective for understanding and improving deep learning systems.

This paper presents a mathematically rigorous framework for brain-inspired representation learning founded on the interplay between persistent topological structures and cohomological flows. Neural computation is reformulated as the evolution of cochain maps over dynamic simplicial complexes, enabling representations that capture invariants across temporal, spatial, and functional brain states. The proposed architecture integrates algebraic topology with differential geometry to construct cohomological operators that generalize gradient-based learning within a homological landscape. Synthetic data with controlled topological signatures and real neural datasets are jointly analyzed using persistent homology, sheaf cohomology, and spectral Laplacians to quantify stability, continuity, and structural preservation. Empirical results demonstrate that the model achieves superior manifold consistency and noise resilience compared to graph neural and manifold-based deep architectures, establishing a coherent mathematical foundation for topology-driven representation learning.

Graph classification has gained significant attention due to its applications in chemistry, social networks, and bioinformatics. While Graph Neural Networks (GNNs) effectively capture local structural patterns, they often overlook global topological features that are critical for robust representation learning. In this work, we propose GraphTCL, a dual-view contrastive learning framework that integrates structural em-beddings from GNNs with topological embeddings derived from persistent homology. By aligning these complementary views through a cross-view contrastive loss, our method enhances representation quality and improves classification performance. Extensive experiments on benchmark datasets, including TU and OGB molecular graphs, demonstrate that GraphTCL consistently outperforms state-of-the-art baselines. This study highlights the importance of topology-aware contrastive learning for advancing graph representation methods.

Persistence diagrams serve as a core tool in topological data analysis, playing a crucial role in pathological monitoring, drug discovery, and materials design. However, existing quantum topological algorithms, such as the LGZ algorithm, can only efficiently compute summary statistics like Betti numbers, failing to provide persistence diagram information that tracks the lifecycle of individual topological features, severely limiting their practical value. This paper proposes a novel quantum-classical hybrid algorithm that achieves, for the first time, the leap from "quantum computation of Betti numbers" to "quantum acquisition of practical persistence diagrams." The algorithm leverages the LGZ quantum algorithm as an efficient feature extractor, mining the harmonic form eigenvectors of the combinatorial Laplacian as well as Betti numbers, constructing specialized topological kernel functions to train a quantum support vector machine (QSVM), and learning the mapping from quantum topological features to persistence diagrams. The core contributions of this algorithm are: (1) elevating quantum topological computation from statistical summaries to pattern recognition, greatly expanding its application value; (2) obtaining more practical topological information in the form of persistence diagrams for real-world applications while maintaining the exponential speedup advantage of quantum computation; (3) proposing a novel hybrid paradigm of "classical precision guiding quantum efficiency." This method provides a feasible pathway for the practical implementation of quantum topological data analysis.