new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Jul 17

Topological Neural Dynamics: A Neuron-wise Framework for Sequence Modeling

Existing sequence models, including RNNs, LSTMs, continuous-time networks, and Transformers, share a common structural principle: layer-wise dynamics, where all neurons in the same layer co-evolve through a shared parameterized operator, leaving individual neurons no freedom to evolve independently. Yet in many complex dynamical systems, rich global behavior emerges precisely from locally evolving units interacting through structured connectivity. Inspired by this principle, we introduce Topological Neural Dynamics (TND), a sequence modeling framework that shifts computation from layer-wise to neuron-wise dynamics. TND represents a neural system as a directed neuron graph, an interaction operator, and a local dynamics function, where each neuron evolves independently and collective computation emerges from interactions through the explicit graph topology. We instantiate TND as a discrete-time graph-coupled dynamical system and evaluate it as a case study on a behavior cloning task in single-player Pong. Compared with Vanilla RNN, Sparse RNN, LSTM, Closed-form continuous-time neural network (CfC), and Transformer baselines, TND achieves the best catch rate and a mean of 17.47 consecutive catches per round, more than three times that of the strongest baseline. These results suggest that shifting from layer-wise to neuron-wise dynamics provides an effective inductive bias for sequence modeling.

  • 2 authors
·
Jun 30

Topological Materials for Near-Field Radiative Heat Transfer

Topological materials provide a platform that utilizes the geometric characteristics of structured materials to control the flow of waves, enabling unidirectional and protected transmission that is immune to defects or impurities. The topologically designed photonic materials can carry quantum states and electromagnetic energy, benefiting nanolasers or quantum photonic systems. This article reviews recent advances in the topological applications of photonic materials for radiative heat transfer, especially in the near field. When the separation distance between media is considerably smaller than the thermal wavelength, the heat transfer exhibits super-Planckian behavior that surpasses Planck's blackbody predictions. Near-field thermal radiation in subwavelength systems supporting surface modes has various applications, including nanoscale thermal management and energy conversion. Photonic materials and structures that support topological surface states show immense potential for enhancing or suppressing near-field thermal radiation. We present various topological effects, such as periodic and quasi-periodic nanoparticle arrays, Dirac and Weyl semimetal-based materials, structures with broken global symmetries, and other topological insulators, on near-field heat transfer. Also, the possibility of realizing near-field thermal radiation in such topological materials for alternative thermal management and heat flux guiding in nano-scale systems is discussed based on the existing technology.

  • 7 authors
·
Jun 6, 2024

A Topological Perspective on Demystifying GNN-Based Link Prediction Performance

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across different nodes and its underlying reasons. To this end, we aim to demystify which nodes will perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit poorer LP performance, our empirical findings provide nuances to this viewpoint and prompt us to propose a better metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC has a higher correlation with LP performance than other node-level topological metrics like degree and subgraph density, offering a better way to identify low-performing nodes than using cold-start. With TC, we discover a novel topological distribution shift issue in which newly joined neighbors of a node tend to become less interactive with that node's existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and theoretically/empirically justify its efficacy in approximating TC and reducing the computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

  • 7 authors
·
Oct 6, 2023

Machine learning for materials discovery: two-dimensional topological insulators

One of the main goals and challenges of materials discovery is to find the best candidates for each interest property or application. Machine learning rises in this context to efficiently optimize this search, exploring the immense materials space, consisting of simultaneously the atomic, compositional, and structural spaces. Topological insulators, presenting symmetry-protected metallic edge states, are a promising class of materials for different applications. However, further, development is limited by the scarcity of viable candidates. Here we present and discuss machine learning-accelerated strategies for searching the materials space for two-dimensional topological materials. We show the importance of detailed investigations of each machine learning component, leading to different results. Using recently created databases containing thousands of ab initio calculations of 2D materials, we train machine learning models capable of determining the electronic topology of materials, with an accuracy of over 90%. We can then generate and screen thousands of novel materials, efficiently predicting their topological character without the need for a priori structural knowledge. We discover 56 non-trivial materials, of which 17 novel insulating candidates for further investigation, for which we corroborate their topological properties with density functional theory calculations. This strategy is 10times more efficient than the trial-and-error approach while few orders of magnitude faster and is a proof of concept for guiding improved materials discovery search strategies.

  • 3 authors
·
Jul 14, 2021

High-throughput calculations of magnetic topological materials

The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in solid-state materials. Topological quantum chemistry has enabled the understanding of and the search for paramagnetic topological materials. Using magnetic topological indices obtained from magnetic topological quantum chemistry (MTQC), here we perform a high-throughput search for magnetic topological materials based on first-principles calculations. We use as our starting point the Magnetic Materials Database on the Bilbao Crystallographic Server, which contains more than 549 magnetic compounds with magnetic structures deduced from neutron-scattering experiments, and identify 130 enforced semimetals (for which the band crossings are implied by symmetry eigenvalues), and topological insulators. For each compound, we perform complete electronic structure calculations, which include complete topological phase diagrams using different values of the Hubbard potential. Using a custom code to find the magnetic co-representations of all bands in all magnetic space groups, we generate data to be fed into the algorithm of MTQC to determine the topology of each magnetic material. Several of these materials display previously unknown topological phases, including symmetry-indicated magnetic semimetals, three-dimensional anomalous Hall insulators and higher-order magnetic semimetals. We analyse topological trends in the materials under varying interactions: 60 per cent of the 130 topological materials have topologies sensitive to interactions, and the others have stable topologies under varying interactions. We provide a materials database for future experimental studies and open-source code for diagnosing topologies of magnetic materials.

  • 9 authors
·
Feb 28, 2020

Topologically faithful image segmentation via induced matching of persistence barcodes

Image segmentation is a largely researched field where neural networks find vast applications in many facets of technology. Some of the most popular approaches to train segmentation networks employ loss functions optimizing pixel-overlap, an objective that is insufficient for many segmentation tasks. In recent years, their limitations fueled a growing interest in topology-aware methods, which aim to recover the correct topology of the segmented structures. However, so far, none of the existing approaches achieve a spatially correct matching between the topological features of ground truth and prediction. In this work, we propose the first topologically and feature-wise accurate metric and loss function for supervised image segmentation, which we term Betti matching. We show how induced matchings guarantee the spatially correct matching between barcodes in a segmentation setting. Furthermore, we propose an efficient algorithm to compute the Betti matching of images. We show that the Betti matching error is an interpretable metric to evaluate the topological correctness of segmentations, which is more sensitive than the well-established Betti number error. Moreover, the differentiability of the Betti matching loss enables its use as a loss function. It improves the topological performance of segmentation networks across six diverse datasets while preserving the volumetric performance. Our code is available in https://github.com/nstucki/Betti-matching.

  • 5 authors
·
Nov 28, 2022

A Topological and Operator Algebraic Framework for Asynchronous Lattice Dynamical Systems

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

  • 1 authors
·
May 14, 2025

TopoNav: Topological Navigation for Efficient Exploration in Sparse Reward Environments

Autonomous robots exploring unknown areas face a significant challenge -- navigating effectively without prior maps and with limited external feedback. This challenge intensifies in sparse reward environments, where traditional exploration techniques often fail. In this paper, we introduce TopoNav, a novel framework that empowers robots to overcome these constraints and achieve efficient, adaptable, and goal-oriented exploration. TopoNav's fundamental building blocks are active topological mapping, intrinsic reward mechanisms, and hierarchical objective prioritization. Throughout its exploration, TopoNav constructs a dynamic topological map that captures key locations and pathways. It utilizes intrinsic rewards to guide the robot towards designated sub-goals within this map, fostering structured exploration even in sparse reward settings. To ensure efficient navigation, TopoNav employs the Hierarchical Objective-Driven Active Topologies framework, enabling the robot to prioritize immediate tasks like obstacle avoidance while maintaining focus on the overall goal. We demonstrate TopoNav's effectiveness in simulated environments that replicate real-world conditions. Our results reveal significant improvements in exploration efficiency, navigational accuracy, and adaptability to unforeseen obstacles, showcasing its potential to revolutionize autonomous exploration in a wide range of applications, including search and rescue, environmental monitoring, and planetary exploration.

  • 6 authors
·
Feb 6, 2024

TORA: Topological Representation Alignment for 3D Shape Assembly

Flow-matching methods for 3D shape assembly learn point-wise velocity fields that transport parts toward assembled configurations, yet they receive no explicit guidance about which cross-part interactions should drive the motion. We introduce TORA, a topology-first representation alignment framework that distills relational structure from a frozen pretrained 3D encoder into the flow-matching backbone during training. We first realize this via simple instantiation, token-wise cosine matching, which injects the learned geometric descriptors from the teacher representation. We then extend to employ a Centered Kernel Alignment (CKA) loss to match the similarity structure between student and teacher representations for enhanced topological alignment. Through systematic probing of diverse 3D encoders, we show that geometry- and contact-centric teacher properties, not semantic classification ability, govern alignment effectiveness, and that alignment is most beneficial at later transformer layers where spatial structure naturally emerges. TORA introduces zero inference overhead while yielding two consistent benefits: faster convergence (up to 6.9times) and improved accuracy in-distribution, along with greater robustness under domain shift. Experiments on five benchmarks spanning geometric, semantic, and inter-object assembly demonstrate state-of-the-art performance, with particularly pronounced gains in zero-shot transfer to unseen real-world and synthetic datasets. Project page: https://nahyuklee.github.io/tora.

  • 4 authors
·
Apr 4

Mind the Heads: Topological Representation Alignment for Multimodal LLMs

Representation alignment has emerged as an effective approach to improve Multimodal Large Language Models (MLLMs) by regularizing their internal representations toward those of an external vision encoder. However, existing methods typically align a fixed layer of the language backbone, overlooking the fine-grained structure of Transformer models. In this work, we propose Head-Wise Representation Alignment (HeRA), a method that enforces cross-modal alignment at the level of individual attention heads. Our approach is grounded in the Platonic Representation Hypothesis, focusing on preserving the topological structure of representations (i.e., their local neighborhood relationships) across modalities. Following the Mutual K-Nearest Neighbor (MKNN) alignment metric, we introduce a contrastive objective that acts as a differentiable proxy for matching local structures. HeRA applies this objective during multimodal training to specific attention heads in the LLM, selected by their alignment score according to the MKNN metric. Counterintuitively, we find that aligning the least aligned heads yields the largest gains. Extensive evaluations across multiple MLLMs and 18 benchmarks demonstrate that HeRA consistently improves performance on challenging vision-centric tasks and serves as an effective regularizer against visual hallucinations by naturally curbing the over-reliance on linguistic priors. Our code is publicly released.

aimagelab AImageLab
·
Jun 21 2

HodgeCover: Higher-Order Topological Coverage Drives Compression of Sparse Mixture-of-Experts

Sparse Mixture-of-Experts (MoE) layers route tokens through a handful of experts, and learning-free compression of these layers reduces inference cost without retraining. A subtle obstruction blocks every existing compressor in this family: three experts can each be pairwise compatible yet form an irreducible cycle when merged together, so any score that ranks experts on pairwise signals is structurally blind to which triples are jointly mergeable. We show the obstruction is a precise mathematical object, the harmonic kernel of the simplicial Laplacian on a 2-complex whose vertices are experts, whose edges carry KL merge barriers, and whose faces carry triplet barriers; Hodge-decomposing the edge-barrier signal isolates the kernel exactly. We turn the diagnostic into a selection objective: HodgeCover greedily covers the harmonic-critical edges and triplet-critical triangles, and a hybrid variant of HodgeCover pairs it with off-the-shelf weight pruning on survivors. On three open-weight Sparse MoE backbones under aggressive expert reduction, HodgeCover matches state-of-the-art learning-free baselines on the expert-reduction axis, leads on the aggressive-compression frontier of the hybrid axis, and uniquely balances retained mass across all four Hodge components. These results show that exposing the harmonic kernel of a learned MoE structure changes which compressor wins at the regime that matters most.

Understanding Chain-of-Thought in Large Language Models via Topological Data Analysis

With the development of large language models (LLMs), particularly with the introduction of the long reasoning chain technique, the reasoning ability of LLMs in complex problem-solving has been significantly enhanced. While acknowledging the power of long reasoning chains, we cannot help but wonder: Why do different reasoning chains perform differently in reasoning? What components of the reasoning chains play a key role? Existing studies mainly focus on evaluating reasoning chains from a functional perspective, with little attention paid to their structural mechanisms. To address this gap, this work is the first to analyze and evaluate the quality of the reasoning chain from a structural perspective. We apply persistent homology from Topological Data Analysis (TDA) to map reasoning steps into semantic space, extract topological features, and analyze structural changes. These changes reveal semantic coherence, logical redundancy, and identify logical breaks and gaps. By calculating homology groups, we assess connectivity and redundancy at various scales, using barcode and persistence diagrams to quantify stability and consistency. Our results show that the topological structural complexity of reasoning chains correlates positively with accuracy. More complex chains identify correct answers sooner, while successful reasoning exhibits simpler topologies, reducing redundancy and cycles, enhancing efficiency and interpretability. This work provides a new perspective on reasoning chain quality assessment and offers guidance for future optimization.

  • 13 authors
·
Dec 22, 2025

Graphlets correct for the topological information missed by random walks

Random walks are widely used for mining networks due to the computational efficiency of computing them. For instance, graph representation learning learns a d-dimensional embedding space, so that the nodes that tend to co-occur on random walks (a proxy of being in the same network neighborhood) are close in the embedding space. Specific local network topology (i.e., structure) influences the co-occurrence of nodes on random walks, so random walks of limited length capture only partial topological information, hence diminishing the performance of downstream methods. We explicitly capture all topological neighborhood information and improve performance by introducing orbit adjacencies that quantify the adjacencies of two nodes as co-occurring on a given pair of graphlet orbits, which are symmetric positions on graphlets (small, connected, non-isomorphic, induced subgraphs of a large network). Importantly, we mathematically prove that random walks on up to k nodes capture only a subset of all the possible orbit adjacencies for up to k-node graphlets. Furthermore, we enable orbit adjacency-based analysis of networks by developing an efficient GRaphlet-orbit ADjacency COunter (GRADCO), which exhaustively computes all 28 orbit adjacency matrices for up to four-node graphlets. Note that four-node graphlets suffice, because real networks are usually small-world. In large networks on around 20,000 nodes, GRADCOcomputesthe28matricesinminutes. Onsixrealnetworksfromvarious domains, we compare the performance of node-label predictors obtained by using the network embeddings based on our orbit adjacencies to those based on random walks. We find that orbit adjacencies, which include those unseen by random walks, outperform random walk-based adjacencies, demonstrating the importance of the inclusion of the topological neighborhood information that is unseen by random walks.

  • 3 authors
·
May 23, 2024

RoboHop: Segment-based Topological Map Representation for Open-World Visual Navigation

Mapping is crucial for spatial reasoning, planning and robot navigation. Existing approaches range from metric, which require precise geometry-based optimization, to purely topological, where image-as-node based graphs lack explicit object-level reasoning and interconnectivity. In this paper, we propose a novel topological representation of an environment based on "image segments", which are semantically meaningful and open-vocabulary queryable, conferring several advantages over previous works based on pixel-level features. Unlike 3D scene graphs, we create a purely topological graph with segments as nodes, where edges are formed by a) associating segment-level descriptors between pairs of consecutive images and b) connecting neighboring segments within an image using their pixel centroids. This unveils a "continuous sense of a place", defined by inter-image persistence of segments along with their intra-image neighbours. It further enables us to represent and update segment-level descriptors through neighborhood aggregation using graph convolution layers, which improves robot localization based on segment-level retrieval. Using real-world data, we show how our proposed map representation can be used to i) generate navigation plans in the form of "hops over segments" and ii) search for target objects using natural language queries describing spatial relations of objects. Furthermore, we quantitatively analyze data association at the segment level, which underpins inter-image connectivity during mapping and segment-level localization when revisiting the same place. Finally, we show preliminary trials on segment-level `hopping' based zero-shot real-world navigation. Project page with supplementary details: oravus.github.io/RoboHop/

  • 7 authors
·
May 9, 2024

VTM-Nav: Hierarchical Visual-Topological Memory for Cross-Episode Object-Goal Navigation

Object-goal navigation requires an embodied agent to locate and reach an instance of a specified object category in an indoor environment. Recent training-free approaches leverage vision-language models (VLMs) for open-vocabulary semantic reasoning, but are typically evaluated under an episodic protocol that resets all scene-specific state after each episode. We introduce Cross-Episode Object-Goal Navigation, in which an agent repeatedly operates in the same scene, retains only self-acquired experience, and keeps its model parameters fixed. To support experience reuse, we present \method, a training-free VLM navigation framework with a persistent hierarchical Visual-Topological Memory (VTM). The VTM organizes scene knowledge at room and object levels and retrieves relevant experience through coarse-to-fine matching, providing memory as soft guidance only when it agrees with current observations. A conservative execution guard further mitigates oscillations, blocked motions, and premature stopping. Under a controlled same-scene protocol, we evaluate on three benchmarks, HM3D v0.1, HM3D v0.2, and MP3D, and compare it with a strengthened WMNav baseline augmented with cross-episode textual memory, while keeping the VLM backbone and action pipeline identical. achieves the best performance across all three benchmarks, demonstrating the effectiveness and robustness of structured visual-topological experience reuse across datasets.

  • 7 authors
·
Jul 15

$p$-adic Bi-Filtrations for Topological Machine Learning on Genomic Sequences

We introduce pVR, a topological machine learning framework for alignment-free genomic sequence classification that combines p-adic numbers with topological data analysis. Each DNA sequence is encoded along two complementary axes: a p-adic distance on k-mer prefixes, which captures hierarchical positional structure, and a compositional L_1 distance on k-mer frequencies, which captures local sequence content. The two distances jointly parameterise a bi-filtered Vietoris--Rips complex, and per-sequence topological summaries from this bi-filtration serve as features for standard machine learning classifiers. We establish theoretical guarantees for the construction: stability under metric perturbations and invariance to the choice of prime, alongside a result that explains why a single p-adic axis is topologically uninformative and why the bi-filtration recovers nontrivial homology. On twelve genomic benchmarks (28 to 500 sequences, 3 to 7 classes), pVR outperforms four established alignment-free baselines on three of six low-sample datasets, with gains of up to 21 percentage points; it underperforms only on a SARS-CoV-2 variant benchmark whose point-mutation divergence violates the hierarchical assumption, and all methods saturate in the large-sample regime. pVR also outperforms zero-shot frozen embeddings from the 500M-parameter Nucleotide Transformer v2 by 6.7 to 11.4 percentage points on three low-sample benchmarks. The pVR codebase is publicly available at https://github.com/MAHI-Group/pVR.

  • 2 authors
·
Jun 4

ETP-R1: Evolving Topological Planning with Reinforcement Fine-tuning for Vision-Language Navigation in Continuous Environments

Vision-Language Navigation in Continuous Environments (VLN-CE) requires an embodied agent to navigate towards target in continuous environments, following natural language instructions. While current graph-based methods offer an efficient, structured approach by abstracting the environment into a topological map and simplifying the action space to waypoint selection, they lag behind methods based on Large Vision-Language Models (LVLMs) in leveraging large-scale data and advanced training paradigms. In this paper, we try to bridge this gap by introducing ETP-R1, a framework that applies the paradigm of scaling up data and Reinforcement Fine-Tuning (RFT) to a graph-based VLN-CE model. To build a strong foundation, we first construct a high-quality, large-scale pretraining dataset using the Gemini API. This dataset consists of diverse, low-hallucination instructions for topological trajectories, providing rich supervision for our graph-based policy to map language to topological paths. This foundation is further strengthened by unifying data from both R2R and RxR tasks for joint pretraining. Building on this, we introduce a three-stage training paradigm, which culminates in the first application of closed-loop, online RFT to a graph-based VLN-CE model, powered by the Group Relative Policy Optimization (GRPO) algorithm. Extensive experiments demonstrate that our approach is highly effective, establishing new state-of-the-art performance across all major metrics on both the R2R-CE and RxR-CE benchmarks. Our code is available at https://github.com/Cepillar/ETP-R1.

  • 9 authors
·
Dec 23, 2025

TopoReformer: Mitigating Adversarial Attacks Using Topological Purification in OCR Models

Adversarially perturbed images of text can cause sophisticated OCR systems to produce misleading or incorrect transcriptions from seemingly invisible changes to humans. Some of these perturbations even survive physical capture, posing security risks to high-stakes applications such as document processing, license plate recognition, and automated compliance systems. Existing defenses, such as adversarial training, input preprocessing, or post-recognition correction, are often model-specific, computationally expensive, and affect performance on unperturbed inputs while remaining vulnerable to unseen or adaptive attacks. To address these challenges, TopoReformer is introduced, a model-agnostic reformation pipeline that mitigates adversarial perturbations while preserving the structural integrity of text images. Topology studies properties of shapes and spaces that remain unchanged under continuous deformations, focusing on global structures such as connectivity, holes, and loops rather than exact distance. Leveraging these topological features, TopoReformer employs a topological autoencoder to enforce manifold-level consistency in latent space and improve robustness without explicit gradient regularization. The proposed method is benchmarked on EMNIST, MNIST, against standard adversarial attacks (FGSM, PGD, Carlini-Wagner), adaptive attacks (EOT, BDPA), and an OCR-specific watermark attack (FAWA).

NetSafe: Exploring the Topological Safety of Multi-agent Networks

Large language models (LLMs) have empowered nodes within multi-agent networks with intelligence, showing growing applications in both academia and industry. However, how to prevent these networks from generating malicious information remains unexplored with previous research on single LLM's safety be challenging to transfer. In this paper, we focus on the safety of multi-agent networks from a topological perspective, investigating which topological properties contribute to safer networks. To this end, we propose a general framework, NetSafe along with an iterative RelCom interaction to unify existing diverse LLM-based agent frameworks, laying the foundation for generalized topological safety research. We identify several critical phenomena when multi-agent networks are exposed to attacks involving misinformation, bias, and harmful information, termed as Agent Hallucination and Aggregation Safety. Furthermore, we find that highly connected networks are more susceptible to the spread of adversarial attacks, with task performance in a Star Graph Topology decreasing by 29.7%. Besides, our proposed static metrics aligned more closely with real-world dynamic evaluations than traditional graph-theoretic metrics, indicating that networks with greater average distances from attackers exhibit enhanced safety. In conclusion, our work introduces a new topological perspective on the safety of LLM-based multi-agent networks and discovers several unreported phenomena, paving the way for future research to explore the safety of such networks.

  • 9 authors
·
Oct 20, 2024

Optimizing NOTEARS Objectives via Topological Swaps

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

  • 4 authors
·
May 26, 2023

Do Neural Networks Trained with Topological Features Learn Different Internal Representations?

There is a growing body of work that leverages features extracted via topological data analysis to train machine learning models. While this field, sometimes known as topological machine learning (TML), has seen some notable successes, an understanding of how the process of learning from topological features differs from the process of learning from raw data is still limited. In this work, we begin to address one component of this larger issue by asking whether a model trained with topological features learns internal representations of data that are fundamentally different than those learned by a model trained with the original raw data. To quantify ``different'', we exploit two popular metrics that can be used to measure the similarity of the hidden representations of data within neural networks, neural stitching and centered kernel alignment. From these we draw a range of conclusions about how training with topological features does and does not change the representations that a model learns. Perhaps unsurprisingly, we find that structurally, the hidden representations of models trained and evaluated on topological features differ substantially compared to those trained and evaluated on the corresponding raw data. On the other hand, our experiments show that in some cases, these representations can be reconciled (at least to the degree required to solve the corresponding task) using a simple affine transformation. We conjecture that this means that neural networks trained on raw data may extract some limited topological features in the process of making predictions.

  • 4 authors
·
Nov 14, 2022

Neural Sheaf Diffusion: A Topological Perspective on Heterophily and Oversmoothing in GNNs

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in the structure of the graph Laplacian operator, the properties of the associated diffusion equation, and the characteristics of the convolutional models that discretise this equation. In this paper, we use cellular sheaf theory to show that the underlying geometry of the graph is deeply linked with the performance of GNNs in heterophilic settings and their oversmoothing behaviour. By considering a hierarchy of increasingly general sheaves, we study how the ability of the sheaf diffusion process to achieve linear separation of the classes in the infinite time limit expands. At the same time, we prove that when the sheaf is non-trivial, discretised parametric diffusion processes have greater control than GNNs over their asymptotic behaviour. On the practical side, we study how sheaves can be learned from data. The resulting sheaf diffusion models have many desirable properties that address the limitations of classical graph diffusion equations (and corresponding GNN models) and obtain competitive results in heterophilic settings. Overall, our work provides new connections between GNNs and algebraic topology and would be of interest to both fields.

  • 5 authors
·
Feb 9, 2022

Neural 4D Evolution under Large Topological Changes from 2D Images

In the literature, it has been shown that the evolution of the known explicit 3D surface to the target one can be learned from 2D images using the instantaneous flow field, where the known and target 3D surfaces may largely differ in topology. We are interested in capturing 4D shapes whose topology changes largely over time. We encounter that the straightforward extension of the existing 3D-based method to the desired 4D case performs poorly. In this work, we address the challenges in extending 3D neural evolution to 4D under large topological changes by proposing two novel modifications. More precisely, we introduce (i) a new architecture to discretize and encode the deformation and learn the SDF and (ii) a technique to impose the temporal consistency. (iii) Also, we propose a rendering scheme for color prediction based on Gaussian splatting. Furthermore, to facilitate learning directly from 2D images, we propose a learning framework that can disentangle the geometry and appearance from RGB images. This method of disentanglement, while also useful for the 4D evolution problem that we are concentrating on, is also novel and valid for static scenes. Our extensive experiments on various data provide awesome results and, most importantly, open a new approach toward reconstructing challenging scenes with significant topological changes and deformations. Our source code and the dataset are publicly available at https://github.com/insait-institute/N4DE.

  • 5 authors
·
Nov 22, 2024

Reward Generalization in RLHF: A Topological Perspective

Existing alignment methods share a common topology of information flow, where reward information is collected from humans, modeled with preference learning, and used to tune language models. However, this shared topology has not been systematically characterized, nor have its alternatives been thoroughly explored, leaving the problems of low data efficiency and unreliable generalization unaddressed. As a solution, we introduce a theoretical framework for investigating reward generalization in reinforcement learning from human feedback (RLHF), focusing on the topology of information flow at both macro and micro levels. At the macro level, we portray the RLHF information flow as an autoencoding process over behavior distributions, formalizing the RLHF objective of distributional consistency between human preference and model behavior. At the micro level, we present induced Bayesian networks as a theory of reward generalization in RLHF, introducing fine-grained dataset topologies into generalization bounds. Combining analysis on both levels, we propose reward modeling from tree-structured preference information. It is shown to reduce reward uncertainty by up to Theta(log n/loglog n) times compared to baselines, where n is the dataset size. Validation on three NLP tasks shows that our tree-based reward model achieves an average win rate of 65% against baseline methods, thus improving reward generalization for free via topology design.

  • 10 authors
·
Feb 15, 2024

RaBit: Parametric Modeling of 3D Biped Cartoon Characters with a Topological-consistent Dataset

Assisting people in efficiently producing visually plausible 3D characters has always been a fundamental research topic in computer vision and computer graphics. Recent learning-based approaches have achieved unprecedented accuracy and efficiency in the area of 3D real human digitization. However, none of the prior works focus on modeling 3D biped cartoon characters, which are also in great demand in gaming and filming. In this paper, we introduce 3DBiCar, the first large-scale dataset of 3D biped cartoon characters, and RaBit, the corresponding parametric model. Our dataset contains 1,500 topologically consistent high-quality 3D textured models which are manually crafted by professional artists. Built upon the data, RaBit is thus designed with a SMPL-like linear blend shape model and a StyleGAN-based neural UV-texture generator, simultaneously expressing the shape, pose, and texture. To demonstrate the practicality of 3DBiCar and RaBit, various applications are conducted, including single-view reconstruction, sketch-based modeling, and 3D cartoon animation. For the single-view reconstruction setting, we find a straightforward global mapping from input images to the output UV-based texture maps tends to lose detailed appearances of some local parts (e.g., nose, ears). Thus, a part-sensitive texture reasoner is adopted to make all important local areas perceived. Experiments further demonstrate the effectiveness of our method both qualitatively and quantitatively. 3DBiCar and RaBit are available at gaplab.cuhk.edu.cn/projects/RaBit.

  • 7 authors
·
Mar 22, 2023