Georgios Arvanitidis

Hadi Beik-Mohammadi, Søren Hauberg, Georgios Arvanitidis et al.

In recent decades, advancements in motion learning have enabled robots to acquire new skills and adapt to unseen conditions in both structured and unstructured environments. In practice, motion learning methods capture relevant patterns and adjust them to new conditions such as dynamic obstacle avoidance or variable targets. In this paper, we investigate the robot motion learning paradigm from a Riemannian manifold perspective. We argue that Riemannian manifolds may be learned via human demonstrations in which geodesics are natural motion skills. The geodesics are generated using a learned Riemannian metric produced by our novel variational autoencoder (VAE), which is especially intended to recover full-pose end-effector states and joint space configurations. In addition, we propose a technique for facilitating on-the-fly end-effector/multiple-limb obstacle avoidance by reshaping the learned manifold using an obstacle-aware ambient metric. The motion generated using these geodesics may naturally result in multiple-solution tasks that have not been explicitly demonstrated previously. We extensively tested our approach in task space and joint space scenarios using a 7-DoF robotic manipulator. We demonstrate that our method is capable of learning and generating motion skills based on complicated motion patterns demonstrated by a human operator. Additionally, we assess several obstacle avoidance strategies and generate trajectories in multiple-mode settings.

Federico Bergamin, Pablo Moreno-Muñoz, Søren Hauberg et al.

Bayesian neural networks often approximate the weight-posterior with a Gaussian distribution. However, practical posteriors are often, even locally, highly non-Gaussian, and empirical performance deteriorates. We propose a simple parametric approximate posterior that adapts to the shape of the true posterior through a Riemannian metric that is determined by the log-posterior gradient. We develop a Riemannian Laplace approximation where samples naturally fall into weight-regions with low negative log-posterior. We show that these samples can be drawn by solving a system of ordinary differential equations, which can be done efficiently by leveraging the structure of the Riemannian metric and automatic differentiation. Empirically, we demonstrate that our approach consistently improves over the conventional Laplace approximation across tasks. We further show that, unlike the conventional Laplace approximation, our method is not overly sensitive to the choice of prior, which alleviates a practical pitfall of current approaches.

Alison Pouplin, Hrittik Roy, Sidak Pal Singh et al. · eth-zurich

One of the main challenges in modern deep learning is to understand why such over-parameterized models perform so well when trained on finite data. A way to analyze this generalization concept is through the properties of the associated loss landscape. In this work, we consider the loss landscape as an embedded Riemannian manifold and show that the differential geometric properties of the manifold can be used when analyzing the generalization abilities of a deep net. In particular, we focus on the scalar curvature, which can be computed analytically for our manifold, and show connections to several settings that potentially imply generalization.

Johanna Marie Gegenfurtner, Albert Kjøller Jacobsen, Naima Elosegui Borras et al.

Modern generative models can produce realistic samples, however, balancing memorisation and generalisation remains an open problem. We approach this challenge from a Bayesian perspective by focusing on the parameter space of flow matching and diffusion models and constructing a predictive posterior that better captures the variability of the data distribution. In particular, we capture the geometry of the loss using a Riemannian metric and leverage a flexible approximate posterior that adapts to the local structure of the loss landscape. This approach allows us to sample generative models that resemble the original model, but exhibit reduced memorisation. Empirically, we demonstrate that the proposed approach reduces memorisation while preserving generalisation. Further, we provide a theoretical analysis of our method, which explains our findings. Overall, our work illustrates how considering the geometry of the loss enables effective use of the parameter space, even for complex high-dimensional generative models.

Albert Kjøller Jacobsen, Leo Uhre Jakobsen, Johanna Marie Gegenfurtner et al.

The minima of modern neural network loss functions are typically not isolated, rather they form connected components of reparameterization invariant solutions on the training data. Analytically characterizing these solutions is a hard problem, but sampling approaches are feasible. By construction, existing methods either spread over low-loss regions, and thus do not sample reparameterization invariant solutions exactly, or are inherently local, which limits exploration of other minima valleys. We propose sampling such reparameterization invariant models using a dynamical system based on kinetic energy, subject to a gravitational pull and a friction term that dissipates energy from the system. Our proposed sampler, DiMS, is guaranteed to sample exactly from the minimum level sets and depends on physically motivated hyperparameters which allows control over the exploration capabilities of the sampler. We consider uncertainty quantification in Bayesian inference as the motivating problem and observe improved performance compared to previously proposed approaches.

Hadi Beik-Mohammadi, Søren Hauberg, Georgios Arvanitidis et al.

Stability guarantees are crucial when ensuring a fully autonomous robot does not take undesirable or potentially harmful actions. Unfortunately, global stability guarantees are hard to provide in dynamical systems learned from data, especially when the learned dynamics are governed by neural networks. We propose a novel methodology to learn neural contractive dynamical systems, where our neural architecture ensures contraction, and hence, global stability. To efficiently scale the method to high-dimensional dynamical systems, we develop a variant of the variational autoencoder that learns dynamics in a low-dimensional latent representation space while retaining contractive stability after decoding. We further extend our approach to learning contractive systems on the Lie group of rotations to account for full-pose end-effector dynamic motions. The result is the first highly flexible learning architecture that provides contractive stability guarantees with capability to perform obstacle avoidance. Empirically, we demonstrate that our approach encodes the desired dynamics more accurately than the current state-of-the-art, which provides less strong stability guarantees.

Paraskevas Pegios, Aasa Feragen, Andreas Abildtrup Hansen et al.

The adoption of increasingly complex deep models has fueled an urgent need for insight into how these models make predictions. Counterfactual explanations form a powerful tool for providing actionable explanations to practitioners. Previously, counterfactual explanation methods have been designed by traversing the latent space of generative models. Yet, these latent spaces are usually greatly simplified, with most of the data distribution complexity contained in the decoder rather than the latent embedding. Thus, traversing the latent space naively without taking the nonlinear decoder into account can lead to unnatural counterfactual trajectories. We introduce counterfactual explanations obtained using a Riemannian metric pulled back via the decoder and the classifier under scrutiny. This metric encodes information about the complex geometric structure of the data and the learned representation, enabling us to obtain robust counterfactual trajectories with high fidelity, as demonstrated by our experiments in real-world tabular datasets.

Hanlin Yu, Berfin Inal, Georgios Arvanitidis et al.

Neural models learn representations of high-dimensional data on low-dimensional manifolds. Multiple factors, including stochasticities in the training process, model architectures, and additional inductive biases, may induce different representations, even when learning the same task on the same data. However, it has recently been shown that when a latent structure is shared between distinct latent spaces, relative distances between representations can be preserved, up to distortions. Building on this idea, we demonstrate that exploiting the differential-geometric structure of latent spaces of neural models, it is possible to capture precisely the transformations between representational spaces trained on similar data distributions. Specifically, we assume that distinct neural models parametrize approximately the same underlying manifold, and introduce a representation based on the pullback metric that captures the intrinsic structure of the latent space, while scaling efficiently to large models. We validate experimentally our method on model stitching and retrieval tasks, covering autoencoders and vision foundation discriminative models, across diverse architectures, datasets, and pretraining schemes.

Hanlin Yu, Søren Hauberg, Marcelo Hartmann et al.

Real world data often lie on low-dimensional Riemannian manifolds embedded in high-dimensional spaces. This motivates learning degenerate normalizing flows that map between the ambient space and a low-dimensional latent space. However, if the manifold has a non-trivial topology, it can never be correctly learned using a single flow. Instead multiple flows must be `glued together'. In this paper, we first propose the general training scheme for learning such a collection of flows, and secondly we develop the first numerical algorithms for computing geodesics on such manifolds. Empirically, we demonstrate that this leads to highly significant improvements in topology estimation.

Hadi Beik Mohammadi, Søren Hauberg, Georgios Arvanitidis et al.

Stability guarantees are crucial when ensuring that a fully autonomous robot does not take undesirable or potentially harmful actions. We recently proposed the Neural Contractive Dynamical Systems (NCDS), which is a neural network architecture that guarantees contractive stability. With this, learning-from-demonstrations approaches can trivially provide stability guarantees. However, our early work left several unanswered questions, which we here address. Beyond providing an in-depth explanation of NCDS, this paper extends the framework with more careful regularization, a conditional variant of the framework for handling multiple tasks, and an uncertainty-driven approach to latent obstacle avoidance. Experiments verify that the developed system has the flexibility of ordinary neural networks while providing the stability guarantees needed for autonomous robotics.

Albert Kjøller Jacobsen, Johanna Marie Gegenfurtner, Georgios Arvanitidis

It has been shown that perturbing the input during training implicitly regularises the gradient of the learnt function, leading to smoother models and enhancing generalisation. However, previous research mostly considered the addition of ambient noise in the input space, without considering the underlying structure of the data. In this work, we propose several methods of adding geometry-aware input noise that accounts for the lower dimensional manifold the input space inhabits. We start by projecting ambient Gaussian noise onto the tangent space of the manifold. In a second step, the noise sample is mapped on the manifold via the associated geodesic curve. We also consider Brownian motion noise, which moves in random steps along the manifold. We show that geometry-aware noise leads to improved generalization and robustness to hyperparameter selection on highly curved manifolds, while performing at least as well as training without noise on simpler manifolds. Our proposed framework extends to learned data manifolds.

Bernardo Williams, Hanlin Yu, Hoang Phuc Hau Luu et al.

Traditional Markov Chain Monte Carlo sampling methods often struggle with sharp curvatures, intricate geometries, and multimodal distributions. Slice sampling can resolve local exploration inefficiency issues, and Riemannian geometries help with sharp curvatures. Recent extensions enable slice sampling on Riemannian manifolds, but they are restricted to cases where geodesics are available in a closed form. We propose a method that generalizes Hit-and-Run slice sampling to more general geometries tailored to the target distribution, by approximating geodesics as solutions to differential equations. Our approach enables the exploration of the regions with strong curvature and rapid transitions between modes in multimodal distributions. We demonstrate the advantages of the approach over challenging sampling problems.

Albert Kjøller Jacobsen, Georgios Arvanitidis

Recent studies on deep neural networks show that flat minima of the loss landscape correlate with improved generalization. Sharpness-aware minimization (SAM) efficiently finds flat regions by updating the parameters according to the gradient at an adversarial perturbation. The perturbation depends on the Euclidean metric, making SAM non-invariant under reparametrizations, which blurs sharpness and generalization. We propose Monge SAM (M-SAM), a reparametrization invariant version of SAM by considering a Riemannian metric in the parameter space induced naturally by the loss surface. Compared to previous approaches, M-SAM works under any modeling choice, relies only on mild assumptions while being as computationally efficient as SAM. We theoretically argue that M-SAM varies between SAM and gradient descent (GD), which increases robustness to hyperparameter selection and reduces attraction to suboptimal equilibria like saddle points. We demonstrate this behavior both theoretically and empirically on a multi-modal representation alignment task.

Bogdan Georgiev, Lukas Franken, Mayukh Mukherjee et al.

A recent line of work has established intriguing connections between the generalization/compression properties of a deep neural network (DNN) model and the so-called layer weights' stable ranks. Intuitively, the latter are indicators of the effective number of parameters in the net. In this work, we address some natural questions regarding the space of DNNs conditioned on the layers' stable rank, where we study feed-forward dynamics, initialization, training and expressivity. To this end, we first propose a random DNN model with a new sampling scheme based on stable rank. Then, we show how feed-forward maps are affected by the constraint and how training evolves in the overparametrized regime (via Neural Tangent Kernels). Our results imply that stable ranks appear layerwise essentially as linear factors whose effect accumulates exponentially depthwise. Moreover, we provide empirical analysis suggesting that stable rank initialization alone can lead to convergence speed ups.

Georgios Arvanitidis, Miguel González-Duque, Alison Pouplin et al.

Latent space geometry has shown itself to provide a rich and rigorous framework for interacting with the latent variables of deep generative models. The existing theory, however, relies on the decoder being a Gaussian distribution as its simple reparametrization allows us to interpret the generating process as a random projection of a deterministic manifold. Consequently, this approach breaks down when applied to decoders that are not as easily reparametrized. We here propose to use the Fisher-Rao metric associated with the space of decoder distributions as a reference metric, which we pull back to the latent space. We show that we can achieve meaningful latent geometries for a wide range of decoder distributions for which the previous theory was not applicable, opening the door to `black box' latent geometries.

Hadi Beik-Mohammadi, Søren Hauberg, Georgios Arvanitidis et al.

For robots to work alongside humans and perform in unstructured environments, they must learn new motion skills and adapt them to unseen situations on the fly. This demands learning models that capture relevant motion patterns, while offering enough flexibility to adapt the encoded skills to new requirements, such as dynamic obstacle avoidance. We introduce a Riemannian manifold perspective on this problem, and propose to learn a Riemannian manifold from human demonstrations on which geodesics are natural motion skills. We realize this with a variational autoencoder (VAE) over the space of position and orientations of the robot end-effector. Geodesic motion skills let a robot plan movements from and to arbitrary points on the data manifold. They also provide a straightforward method to avoid obstacles by redefining the ambient metric in an online fashion. Moreover, geodesics naturally exploit the manifold resulting from multiple--mode tasks to design motions that were not explicitly demonstrated previously. We test our learning framework using a 7-DoF robotic manipulator, where the robot satisfactorily learns and reproduces realistic skills featuring elaborated motion patterns, avoids previously unseen obstacles, and generates novel movements in multiple-mode settings.

Georgios Arvanitidis, Bogdan Georgiev, Bernhard Schölkopf

Stochastic generative models enable us to capture the geometric structure of a data manifold lying in a high dimensional space through a Riemannian metric in the latent space. However, its practical use is rather limited mainly due to inevitable complexity. In this work we propose a surrogate conformal Riemannian metric in the latent space of a generative model that is simple, efficient and robust. This metric is based on a learnable prior that we propose to learn using a basic energy-based model. We theoretically analyze the behavior of the proposed metric and show that it is sensible to use in practice. We demonstrate experimentally the efficiency and robustness, as well as the behavior of the new approximate metric. Also, we show the applicability of the proposed methodology for data analysis in the life sciences.

Christian Fröhlich, Alexandra Gessner, Philipp Hennig et al.

Riemannian manifolds provide a principled way to model nonlinear geometric structure inherent in data. A Riemannian metric on said manifolds determines geometry-aware shortest paths and provides the means to define statistical models accordingly. However, these operations are typically computationally demanding. To ease this computational burden, we advocate probabilistic numerical methods for Riemannian statistics. In particular, we focus on Bayesian quadrature (BQ) to numerically compute integrals over normal laws on Riemannian manifolds learned from data. In this task, each function evaluation relies on the solution of an expensive initial value problem. We show that by leveraging both prior knowledge and an active exploration scheme, BQ significantly reduces the number of required evaluations and thus outperforms Monte Carlo methods on a wide range of integration problems. As a concrete application, we highlight the merits of adopting Riemannian geometry with our proposed framework on a nonlinear dataset from molecular dynamics.

Georgios Arvanitidis, Søren Hauberg, Bernhard Schölkopf

A common assumption in generative models is that the generator immerses the latent space into a Euclidean ambient space. Instead, we consider the ambient space to be a Riemannian manifold, which allows for encoding domain knowledge through the associated Riemannian metric. Shortest paths can then be defined accordingly in the latent space to both follow the learned manifold and respect the ambient geometry. Through careful design of the ambient metric we can ensure that shortest paths are well-behaved even for deterministic generators that otherwise would exhibit a misleading bias. Experimentally we show that our approach improves interpretability of learned representations both using stochastic and deterministic generators.

Dimitris Kalatzis, David Eklund, Georgios Arvanitidis et al.

Variational Autoencoders (VAEs) represent the given data in a low-dimensional latent space, which is generally assumed to be Euclidean. This assumption naturally leads to the common choice of a standard Gaussian prior over continuous latent variables. Recent work has, however, shown that this prior has a detrimental effect on model capacity, leading to subpar performance. We propose that the Euclidean assumption lies at the heart of this failure mode. To counter this, we assume a Riemannian structure over the latent space, which constitutes a more principled geometric view of the latent codes, and replace the standard Gaussian prior with a Riemannian Brownian motion prior. We propose an efficient inference scheme that does not rely on the unknown normalizing factor of this prior. Finally, we demonstrate that this prior significantly increases model capacity using only one additional scalar parameter.

Georgios Arvanitidis, Søren Hauberg, Philipp Hennig et al.

We propose a fast, simple and robust algorithm for computing shortest paths and distances on Riemannian manifolds learned from data. This amounts to solving a system of ordinary differential equations (ODEs) subject to boundary conditions. Here standard solvers perform poorly because they require well-behaved Jacobians of the ODE, and usually, manifolds learned from data imply unstable and ill-conditioned Jacobians. Instead, we propose a fixed-point iteration scheme for solving the ODE that avoids Jacobians. This enhances the stability of the solver, while reduces the computational cost. In experiments involving both Riemannian metric learning and deep generative models we demonstrate significant improvements in speed and stability over both general-purpose state-of-the-art solvers as well as over specialized solvers.

Tao Yang, Georgios Arvanitidis, Dongmei Fu et al.

Deep generative models are tremendously successful in learning low-dimensional latent representations that well-describe the data. These representations, however, tend to much distort relationships between points, i.e. pairwise distances tend to not reflect semantic similarities well. This renders unsupervised tasks, such as clustering, difficult when working with the latent representations. We demonstrate that taking the geometry of the generative model into account is sufficient to make simple clustering algorithms work well over latent representations. Leaning on the recent finding that deep generative models constitute stochastically immersed Riemannian manifolds, we propose an efficient algorithm for computing geodesics (shortest paths) and computing distances in the latent space, while taking its distortion into account. We further propose a new architecture for modeling uncertainty in variational autoencoders, which is essential for understanding the geometry of deep generative models. Experiments show that the geodesic distance is very likely to reflect the internal structure of the data.

Georgios Arvanitidis, Lars Kai Hansen, Søren Hauberg

Deep generative models provide a systematic way to learn nonlinear data distributions, through a set of latent variables and a nonlinear "generator" function that maps latent points into the input space. The nonlinearity of the generator imply that the latent space gives a distorted view of the input space. Under mild conditions, we show that this distortion can be characterized by a stochastic Riemannian metric, and demonstrate that distances and interpolants are significantly improved under this metric. This in turn improves probability distributions, sampling algorithms and clustering in the latent space. Our geometric analysis further reveals that current generators provide poor variance estimates and we propose a new generator architecture with vastly improved variance estimates. Results are demonstrated on convolutional and fully connected variational autoencoders, but the formalism easily generalize to other deep generative models.

Georgios Arvanitidis, Lars Kai Hansen, Søren Hauberg

The multivariate normal density is a monotonic function of the distance to the mean, and its ellipsoidal shape is due to the underlying Euclidean metric. We suggest to replace this metric with a locally adaptive, smoothly changing (Riemannian) metric that favors regions of high local density. The resulting locally adaptive normal distribution (LAND) is a generalization of the normal distribution to the "manifold" setting, where data is assumed to lie near a potentially low-dimensional manifold embedded in $\mathbb{R}^D$. The LAND is parametric, depending only on a mean and a covariance, and is the maximum entropy distribution under the given metric. The underlying metric is, however, non-parametric. We develop a maximum likelihood algorithm to infer the distribution parameters that relies on a combination of gradient descent and Monte Carlo integration. We further extend the LAND to mixture models, and provide the corresponding EM algorithm. We demonstrate the efficiency of the LAND to fit non-trivial probability distributions over both synthetic data, and EEG measurements of human sleep.