Conformal Prediction via Regression-as-Classification

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 make necessary modifications to the CP classification techniques.~Empirical results on many benchmarks shows that this simple approach gives surprisingly good results on many practical problems.

Variational Learning is Effective for Large Deep Networks

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 fine-tuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence in support of effectiveness of variational learning.

The Memory Perturbation Equation: Understanding Model's Sensitivity to Data

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.

Model Merging by Uncertainty-Based Gradient Matching

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.

The Lie-Group Bayesian Learning Rule

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.

SAM as an Optimal Relaxation of Bayes

Sharpness-aware minimization (SAM) and related adversarial deep-learning methods can drastically improve generalization, but their underlying mechanisms are not yet fully understood. Here, we establish SAM as a relaxation of the Bayes objective where the expected negative-loss is replaced by the optimal convex lower bound, obtained by using the so-called Fenchel biconjugate. The connection enables a new Adam-like extension of SAM to automatically obtain reasonable uncertainty estimates, while sometimes also improving its accuracy. By connecting adversarial and Bayesian methods, our work opens a new path to robustness.

Lifting the Convex Conjugate in Lagrangian Relaxations: A Tractable Approach for Continuous Markov Random Fields

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 (MRF) 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.

Optimization of Graph Total Variation via Active-Set-based Combinatorial Reconditioning

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.

Informative GANs via Structured Regularization of Optimal Transport

We tackle the challenge of disentangled representation learning in generative adversarial networks (GANs) from the perspective of regularized optimal transport (OT). Specifically, a smoothed OT loss gives rise to an implicit transportation plan between the latent space and the data space. Based on this theoretical observation, we exploit a structured regularization on the transportation plan to encourage a prescribed latent subspace to be informative. This yields the formulation of a novel informative OT-based GAN. By convex duality, we obtain the equivalent view that this leads to perturbed ground costs favoring sparsity in the informative latent dimensions. Practically, we devise a stable training algorithm for the proposed informative GAN. Our experiments support the hypothesis that such regularizations effectively yield the discovery of disentangled and interpretable latent representations. Our work showcases potential power of a regularized OT framework in the context of generative modeling through its access to the transport plan. Further challenges are addressed in this line.

Flat Metric Minimization with Applications in Generative Modeling

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.