Thomas Möllenhoff

dblp:133/2613 · DBLP profile ↗
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23ranked-venue papers
7as first author
12since 2021 · last 2025
0000-0001-7730-0843ORCID · verified

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 20 · 6 first-author · 10 since 2021Graphics, computer vision, multimedia, augmented reality and games · 9 · 4 first-author · 2 since 2021
YearPublicationVenuePosition
2025 Uncertainty-Aware Decoding with Minimum Bayes Risk
abstract
Despite their outstanding performance in the majority of scenarios, contemporary language models still occasionally generate undesirable outputs, for example, hallucinated text. While such behaviors have previously been linked to uncertainty, there is a notable lack of methods that actively consider uncertainty during text generation. In this work, we show how Minimum Bayes Risk (MBR) decoding, which selects model generations according to an expected risk, can be generalized into a principled uncertainty-aware decoding method. In short, we account for model uncertainty during decoding by incorporating a posterior over model parameters into MBR’s computation of expected risk. We show that this modified expected risk is useful for both choosing outputs and deciding when to abstain from generation and can provide improvements without incurring overhead. We benchmark different methods for learning posteriors and show that performance improves with prediction diversity. We release our code publicly.
Nico Daheim, Clara Meister, Thomas Möllenhoff, Iryna Gurevych
ICLR3
2025 Variational Learning Finds Flatter Solutions at the Edge of Stability
abstract
Variational Learning (VL) has recently gained popularity for training deep neural networks. Part of its empirical success can be explained by theories such as PAC-Bayes bounds, minimum description length and marginal likelihood, but little has been done to unravel the implicit regularization in play. Here, we analyze the implicit regularization of VL through the Edge of Stability (EoS) framework. EoS has previously been used to show that gradient descent can find flat solutions and we extend this result to show that VL can find even flatter solutions. This result is obtained by controlling the shape of the variational posterior as well as the number of posterior samples used during training. The derivation follows in a similar fashion as in the standard EoS literature for deep learning, by first deriving a result for a quadratic problem and then extending it to deep neural networks. We empirically validate these findings on a wide variety of large networks, such as ResNet and ViT, to find that the theoretical results closely match the empirical ones. Ours is the first work to analyze the EoS dynamics of~VL.
Avrajit Ghosh, Bai Cong, Rio Yokota, Saiprasad Ravishankar, Molei Tao, Mohammad Emtiyaz Khan, Thomas Möllenhoff
NeurIPS8
2025 Compact Memory for Continual Logistic Regression
abstract
Despite recent progress, continual learning still does not match the performance of batch training. To avoid catastrophic forgetting, we need to build compact memory of essential past knowledge, but no clear solution has yet emerged, even for shallow neural networks with just one or two layers. In this paper, we present a new method to build compact memory for logistic regression. Our method is based on a result by Khan and Swaroop [2021] who show the existence of optimal memory for such models. We formulate the search for the optimal memory as Hessian-matching and propose a probabilistic PCA method to estimate them. Our approach can drastically improve accuracy compared to Experience Replay. For instance, on Split-ImageNet, we get 60% accuracy compared to 30% obtained by replay with memory-size equivalent to 0.3% of the data size. Increasing the memory size to 2% further boosts the accuracy to 74%, closing the gap to the batch accuracy of 77.6% on this task. Our work opens a new direction for building compact memory that can also be useful in the future for continual deep learning.
Yohan Jung, Hyungi Lee, Thomas Möllenhoff, Yingzhen Li, Juho Lee 0001, Mohammad Emtiyaz Khan
NeurIPS4
2024 Model Merging by Uncertainty-Based Gradient Matching
abstract
Models trained on different datasets can be merged by a weighted-averaging of their parameters, but why does it work and when can it fail? Here, we connect the inaccuracy of weighted-averaging to mismatches in the gradients and propose a new uncertainty-based scheme to improve the performance by reducing the mismatch. The connection also reveals implicit assumptions in other schemes such as averaging, task arithmetic, and Fisher-weighted averaging. Our new method gives consistent improvements for large language models and vision transformers, both in terms of performance and robustness to hyperparameters.
Nico Daheim, Thomas Möllenhoff, Edoardo Maria Ponti, Iryna Gurevych, Mohammad Emtiyaz Khan
ICLR2
2024 Conformal Prediction via Regression-as-Classification
abstract
Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in reality, such approaches can be sensitive to estimation error and yield unstable intervals. Here, we circumvent the challenges by converting regression to a classification problem and then use CP for classification to obtain CP sets for regression. To preserve the ordering of the continuous-output space, we design a new loss function and present necessary modifications to the CP classification techniques. Empirical results on many benchmarks show that this simple approach gives surprisingly good results on many practical problems.
Etash Kumar Guha, Shlok Natarajan, Thomas Möllenhoff, Mohammad Emtiyaz Khan, Eugène Ndiaye
ICLR3
2024 Variational Learning is Effective for Large Deep Networks
abstract
We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or outperforms Adam for training large networks such as GPT-2 and ResNets from scratch. IVON's computational costs are nearly identical to Adam but its predictive uncertainty is better. We show several new use cases of IVON where we improve finetuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence that variational learning is effective. Code is available at https://github.com/team-approx-bayes/ivon.
Yuesong Shen, Nico Daheim, Bai Cong, Peter Nickl, Gian Maria Marconi, Clement Bazan, Rio Yokota, Iryna Gurevych, Daniel Cremers, Mohammad Emtiyaz Khan, Thomas Möllenhoff
ICML11
2023 The Lie-Group Bayesian Learning Rule
abstract
The Bayesian Learning Rule provides a framework for generic algorithm design but can be difficult to use for three reasons. First, it requires a specific parameterization of exponential family. Second, it uses gradients which can be difficult to compute. Third, its update may not always stay on the manifold. We address these difficulties by proposing an extension based on Lie-groups where posteriors are parametrized through transformations of an arbitrary base distribution and updated via the group’s exponential map. This simplifies all three difficulties for many cases, providing flexible parametrizations through group’s action, simple gradient computation through reparameterization, and updates that always stay on the manifold. We use the new learning rule to derive a new algorithm for deep learning with desirable biologically-plausible attributes to learn sparse features. Our work opens a new frontier for the design of new algorithms by exploiting lie-group structures.
Eren Mehmet Kiral, Thomas Möllenhoff, Mohammad Emtiyaz Khan
AISTATS2
2023 SAM as an Optimal Relaxation of Bayes
Thomas Möllenhoff, Mohammad Emtiyaz Khan
ICLR1
2023 The Memory-Perturbation Equation: Understanding Model's Sensitivity to Data
abstract
Understanding model’s sensitivity to its training data is crucial but can also be challenging and costly, especially during training. To simplify such issues, we present the Memory-Perturbation Equation (MPE) which relates model's sensitivity to perturbation in its training data. Derived using Bayesian principles, the MPE unifies existing sensitivity measures, generalizes them to a wide-variety of models and algorithms, and unravels useful properties regarding sensitivities. Our empirical results show that sensitivity estimates obtained during training can be used to faithfully predict generalization on unseen test data. The proposed equation is expected to be useful for future research on robust and adaptive learning.
Peter Nickl, Dharmesh Tailor, Thomas Möllenhoff, Mohammad Emtiyaz Khan
NeurIPS4
2023 A Cutting-Plane Method for Sublabel-Accurate Relaxation of Problems with Product Label Spaces
abstract
Abstract Many problems in imaging and low-level vision can be formulated as nonconvex variational problems. A promising class of approaches to tackle such problems are convex relaxation methods, which consider a lifting of the energy functional to a higher-dimensional space. However, they come with increased memory requirements due to the lifting. The present paper is an extended version of the earlier conference paper by Ye et al. (in: DAGM German conference on pattern recognition (GCPR), 2021) which combined two recent approaches to make lifting more scalable: product-space relaxation and sublabel-accurate discretization. Furthermore, it is shown that a simple cutting-plane method can be used to solve the resulting semi-infinite optimization problem. This journal version extends the previous conference work with additional experiments, a more detailed outline of the complete algorithm and a user-friendly introduction to functional lifting methods.
Zhenzhang Ye, Bjoern Haefner, Yvain Quéau, Thomas Möllenhoff, Daniel Cremers
Int. J. Comput. Vis.4
2022 Non-Smooth Energy Dissipating Networks
abstract
Over the past decade, deep neural networks have been shown to perform extremely well on a variety of image reconstruction tasks. Such networks do, however, fail to provide guarantees about these predictions, making them difficult to use in safety-critical applications. Recent works addressed this problem by combining model-and learning-based approaches, e.g., by forcing networks to iteratively minimize a model-based cost function via the prediction of suitable descent directions. While previous approaches were limited to continuously differentiable cost functions, this paper discusses a way to remove the restriction of differentiability. We propose to use the Moreau-Yosida regularization of such costs to make the framework of energy dissipating networks applicable. We demonstrate our framework on two exemplary applications, i.e., safeguarding energy dissipating denoising networks to the expected distribution of the noise as well as enforcing binary constraints on bar-code deblurring networks to improve their respective performances.
Hannah Dröge, Thomas Möllenhoff, Michael Möller 0001
ICIP2
2022 Lifting the Convex Conjugate in Lagrangian Relaxations: A Tractable Approach for Continuous Markov Random Fields
abstract
Dual decomposition approaches in nonconvex optimization may suffer from a duality gap. This poses a challenge when applying them directly to nonconvex problems such as MAP-inference in a Markov random field with continuous state spaces. To eliminate such gaps, this paper considers a reformulation of the original nonconvex task in the space of measures. This infinite-dimensional reformulation is then approximated by a semi-infinite one, which is obtained via a piecewise polynomial discretization in the dual. We provide a geometric intuition behind the primal problem induced by the dual discretization and draw connections to optimization over moment spaces. In contrast to existing discretizations which suffer from a grid bias, we show that a piecewise polynomial discretization better preserves the continuous nature of our problem. Invoking results from optimal transport theory and convex algebraic geometry we reduce the semi-infinite program to a finite one and provide a practical implementation based on semidefinite programming. We show, experimentally and in theory, that the approach successfully reduces the duality gap. To showcase the scalability of our approach, we apply it to the stereo matching problem between two images.
Hartmut Bauermeister, Emanuel Laude, Thomas Möllenhoff, Michael Möller 0001, Daniel Cremers
SIAM J. Imaging Sci.3
2020 Optimization of Graph Total Variation via Active-Set-based Combinatorial Reconditioning
abstract
Structured convex optimization on weighted graphs finds numerous applications in machine learning and computer vision. In this work, we propose a novel adaptive preconditioning strategy for proximal algorithms on this problem class. Our preconditioner is driven by a sharp analysis of the local linear convergence rate depending on the "active set" at the current iterate. We show that nested-forest decomposition of the inactive edges yields a guaranteed local linear convergence rate. Further, we propose a practical greedy heuristic which realizes such nested decompositions and show in several numerical experiments that our reconditioning strategy, when applied to proximal gradient or primal-dual hybrid gradient algorithm, achieves competitive performances. Our results suggest that local convergence analysis can serve as a guideline for selecting variable metrics in proximal algorithms.
Zhenzhang Ye, Thomas Möllenhoff, Tao Wu 0006, Daniel Cremers
AISTATS2
2019 Lifting Vectorial Variational Problems: A Natural Formulation Based on Geometric Measure Theory and Discrete Exterior Calculus
abstract
Numerous tasks in imaging and vision can be formulated as variational problems over vector-valued maps. We approach the relaxation and convexification of such vectorial variational problems via a lifting to the space of currents. To that end, we recall that functionals with polyconvex Lagrangians can be reparametrized as convex one-homogeneous functionals on the graph of the function. This leads to an equivalent shape optimization problem over oriented surfaces in the product space of domain and codomain. A convex formulation is then obtained by relaxing the search space from oriented surfaces to more general currents. We propose a discretization of the resulting infinite-dimensional optimization problem using Whitney forms, which also generalizes recent "sublabel-accurate" multilabeling approaches.
Thomas Möllenhoff, Daniel Cremers
CVPR1
2019 Controlling Neural Networks via Energy Dissipation
abstract
The last decade has shown a tremendous success in solving various computer vision problems with the help of deep learning techniques. Lately, many works have demonstrated that learning-based approaches with suitable network architectures even exhibit superior performance for the solution of (ill-posed) image reconstruction problems such as deblurring, super-resolution, or medical image reconstruction. The drawback of purely learning-based methods, however, is that they cannot provide provable guarantees for the trained network to follow a given data formation process during inference. In this work we propose energy dissipating networks that iteratively compute a descent direction with respect to a given cost function or energy at the currently estimated reconstruction. Therefore, an adaptive step size rule such as a line-search, along with a suitable number of iterations can guarantee the reconstruction to follow a given data formation model encoded in the energy to arbitrary precision, and hence control the model's behavior even during test time. We prove that under standard assumptions, descent using the direction predicted by the network converges (linearly) to the global minimum of the energy. We illustrate the effectiveness of the proposed approach in experiments on single image super resolution and computed tomography (CT) reconstruction, and further illustrate extensions to convex feasibility problems.
Michael Möller 0001, Thomas Möllenhoff, Daniel Cremers
ICCV2
2019 Flat Metric Minimization with Applications in Generative Modeling
abstract
We take the novel perspective to view data not as a probability distribution but rather as a current. Primarily studied in the field of geometric measure theory, k-currents are continuous linear functionals acting on compactly supported smooth differential forms and can be understood as a generalized notion of oriented k-dimensional manifold. By moving from distributions (which are 0-currents) to k-currents, we can explicitly orient the data by attaching a k-dimensional tangent plane to each sample point. Based on the flat metric which is a fundamental distance between currents, we derive FlatGAN, a formulation in the spirit of generative adversarial networks but generalized to k-currents. In our theoretical contribution we prove that the flat metric between a parametrized current and a reference current is Lipschitz continuous in the parameters. In experiments, we show that the proposed shift to k>0 leads to interpretable and disentangled latent representations which behave equivariantly to the specified oriented tangent planes.
Thomas Möllenhoff, Daniel Cremers
ICML1
2018 Combinatorial Preconditioners for Proximal Algorithms on Graphs
abstract
We present a novel preconditioning technique for proximal optimization methods that relies on graph algorithms to construct effective preconditioners. Such combinatorial preconditioners arise from partitioning the graph into forests. We prove that certain decompositions lead to a theoretically optimal condition number. We also show how ideal decompositions can be realized using matroid partitioning and propose efficient greedy variants thereof for large-scale problems. Coupled with specialized solvers for the resulting scaled proximal subproblems, the preconditioned algorithm achieves competitive performance in machine learning and vision applications.
Thomas Möllenhoff, Zhenzhang Ye, Tao Wu 0006, Daniel Cremers
AISTATS1
2018 Fight Ill-Posedness With Ill-Posedness: Single-Shot Variational Depth Super-Resolution From Shading
abstract
We put forward a principled variational approach for up-sampling a single depth map to the resolution of the companion color image provided by an RGB-D sensor. We combine heterogeneous depth and color data in order to jointly solve the ill-posed depth super-resolution and shape-from-shading problems. The low-frequency geometric information necessary to disambiguate shape-from-shading is extracted from the low-resolution depth measurements and, symmetrically, the high-resolution photometric clues in the RGB image provide the high-frequency information required to disambiguate depth super-resolution.
Bjoern Haefner, Yvain Quéau, Thomas Möllenhoff, Daniel Cremers
CVPR3
2018 Proximal Backpropagation
Thomas Frerix, Thomas Möllenhoff, Michael Möller 0001, Daniel Cremers
ICLR (Poster)2
2017 Sublabel-Accurate Discretization of Nonconvex Free-Discontinuity Problems
abstract
In this work we show how sublabel-accurate multilabeling approaches [15, 18] can be derived by approximating a classical label-continuous convex relaxation of nonconvex free-discontinuity problems. This insight allows to extend these sublabel-accurate approaches from total variation to general convex and nonconvex regularizations. Furthermore, it leads to a systematic approach to the discretization of continuous convex relaxations. We study the relationship to existing discretizations and to discrete-continuous MRFs. Finally, we apply the proposed approach to obtain a sublabel-accurate and convex solution to the vectorial Mumford-Shah functional and show in several experiments that it leads to more precise solutions using fewer labels.
Thomas Möllenhoff, Daniel Cremers
ICCV1
2016 Sublabel-Accurate Relaxation of Nonconvex Energies
abstract
We propose a novel spatially continuous framework for convex relaxations based on functional lifting. Our method can be interpreted as a sublabel-accurate solution to multilabel problems. We show that previously proposed functional lifting methods optimize an energy which is linear between two labels and hence require (often infinitely) many labels for a faithful approximation. In contrast, the proposed formulation is based on a piecewise convex approximation and therefore needs far fewer labels - see Fig. 1. In comparison to recent MRF-based approaches, our method is formulated in a spatially continuous setting and shows less grid bias. Moreover, in a local sense, our formulation is the tightest possible convex relaxation. It is easy to implement and allows an efficient primal-dual optimization on GPUs. We show the effectiveness of our approach on several computer vision problems.
Thomas Möllenhoff, Emanuel Laude, Michael Möller 0001, Jan Lellmann, Daniel Cremers
CVPR1
2016 Sublabel-Accurate Convex Relaxation of Vectorial Multilabel Energies
Emanuel Laude, Thomas Möllenhoff, Michael Möller 0001, Jan Lellmann, Daniel Cremers
ECCV (1)2
2015 The Primal-Dual Hybrid Gradient Method for Semiconvex Splittings
abstract
This paper deals with the analysis of a recent reformulation of the primal-dual hybrid gradient method, which allows one to apply it to nonconvex regularizers. Particularly, it investigates variational problems for which the energy to be minimized can be written as $G(u) + F(Ku)$, where $G$ is convex, $F$ is semiconvex, and $K$ is a linear operator. We study the method and prove convergence in the case where the nonconvexity of $F$ is compensated for by the strong convexity of $G$. The convergence proof yields an interesting requirement for the choice of algorithm parameters, which we show to be not only sufficient, but also necessary. Additionally, we show boundedness of the iterates under much weaker conditions. Finally, in several numerical experiments we demonstrate effectiveness and convergence of the algorithm beyond the theoretical guarantees.
Thomas Möllenhoff, Evgeny Strekalovskiy, Michael Möller 0001, Daniel Cremers
SIAM J. Imaging Sci.1