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High training costs of generative models and the need to fine-tune them for specific tasks have created a strong interest in model reuse and composition. A key challenge in composing iterative generative processes, such as GFlowNets and diffusion models, is that to realize the desired target distribution, all steps of the generative process need to be coordinated, and satisfy delicate balance conditions. In this work, we propose Compositional Sculpting: a general approach for defining compositions of iterative generative processes. We then introduce a method for sampling from these compositions built on classifier guidance. We showcase ways to accomplish compositional sculpting in both GFlowNets and diffusion models. We highlight two binary operations $\unicode{x2014}$ the harmonic mean ($p_1 \otimes p_2$) and the contrast ($p_1 \unicode{x25D1}\,p_2$) between pairs, and the generalization of these operations to multiple component distributions. We offer empirical results on image and molecular generation tasks., Comment: Extended version of NeurIPS 2023 paper

We study the problem of aligning the supports of distributions. Compared to the existing work on distribution alignment, support alignment does not require the densities to be matched. We propose symmetric support difference as a divergence measure to quantify the mismatch between supports. We show that select discriminators (e.g. discriminator trained for Jensen-Shannon divergence) are able to map support differences as support differences in their one-dimensional output space. Following this result, our method aligns supports by minimizing a symmetrized relaxed optimal transport cost in the discriminator 1D space via an adversarial process. Furthermore, we show that our approach can be viewed as a limit of existing notions of alignment by increasing transportation assignment tolerance. We quantitatively evaluate the method across domain adaptation tasks with shifts in label distributions. Our experiments show that the proposed method is more robust against these shifts than other alignment-based baselines., Comment: Accepted to ICLR 2022

Adversarial training methods typically align distributions by solving two-player games. However, in most current formulations, even if the generator aligns perfectly with data, a sub-optimal discriminator can still drive the two apart. Absent additional regularization, the instability can manifest itself as a never-ending game. In this paper, we introduce a family of objectives by leveraging pairwise discriminators, and show that only the generator needs to converge. The alignment, if achieved, would be preserved with any discriminator. We provide sufficient conditions for local convergence; characterize the capacity balance that should guide the discriminator and generator choices; and construct examples of minimally sufficient discriminators. Empirically, we illustrate the theory and the effectiveness of our approach on synthetic examples. Moreover, we show that practical methods derived from our approach can better generate higher-resolution images.

We present MLRG Deep Curvature suite, a PyTorch-based, open-source package for analysis and visualisation of neural network curvature and loss landscape. Despite of providing rich information into properties of neural network and useful for a various designed tasks, curvature information is still not made sufficient use for various reasons, and our method aims to bridge this gap. We present a primer, including its main practical desiderata and common misconceptions, of \textit{Lanczos algorithm}, the theoretical backbone of our package, and present a series of examples based on synthetic toy examples and realistic modern neural networks tested on CIFAR datasets, and show the superiority of our package against existing competing approaches for the similar purposes., Comment: 11 pages, 11 figures

Bayesian inference was once a gold standard for learning with neural networks, providing accurate full predictive distributions and well calibrated uncertainty. However, scaling Bayesian inference techniques to deep neural networks is challenging due to the high dimensionality of the parameter space. In this paper, we construct low-dimensional subspaces of parameter space, such as the first principal components of the stochastic gradient descent (SGD) trajectory, which contain diverse sets of high performing models. In these subspaces, we are able to apply elliptical slice sampling and variational inference, which struggle in the full parameter space. We show that Bayesian model averaging over the induced posterior in these subspaces produces accurate predictions and well calibrated predictive uncertainty for both regression and image classification., Comment: Published at UAI 2019

We propose SWA-Gaussian (SWAG), a simple, scalable, and general purpose approach for uncertainty representation and calibration in deep learning. Stochastic Weight Averaging (SWA), which computes the first moment of stochastic gradient descent (SGD) iterates with a modified learning rate schedule, has recently been shown to improve generalization in deep learning. With SWAG, we fit a Gaussian using the SWA solution as the first moment and a low rank plus diagonal covariance also derived from the SGD iterates, forming an approximate posterior distribution over neural network weights; we then sample from this Gaussian distribution to perform Bayesian model averaging. We empirically find that SWAG approximates the shape of the true posterior, in accordance with results describing the stationary distribution of SGD iterates. Moreover, we demonstrate that SWAG performs well on a wide variety of tasks, including out of sample detection, calibration, and transfer learning, in comparison to many popular alternatives including MC dropout, KFAC Laplace, SGLD, and temperature scaling., Comment: Published at NeurIPS 2019

Deep neural networks are typically trained by optimizing a loss function with an SGD variant, in conjunction with a decaying learning rate, until convergence. We show that simple averaging of multiple points along the trajectory of SGD, with a cyclical or constant learning rate, leads to better generalization than conventional training. We also show that this Stochastic Weight Averaging (SWA) procedure finds much flatter solutions than SGD, and approximates the recent Fast Geometric Ensembling (FGE) approach with a single model. Using SWA we achieve notable improvement in test accuracy over conventional SGD training on a range of state-of-the-art residual networks, PyramidNets, DenseNets, and Shake-Shake networks on CIFAR-10, CIFAR-100, and ImageNet. In short, SWA is extremely easy to implement, improves generalization, and has almost no computational overhead., Comment: Appears at the Conference on Uncertainty in Artificial Intelligence (UAI), 2018

The loss functions of deep neural networks are complex and their geometric properties are not well understood. We show that the optima of these complex loss functions are in fact connected by simple curves over which training and test accuracy are nearly constant. We introduce a training procedure to discover these high-accuracy pathways between modes. Inspired by this new geometric insight, we also propose a new ensembling method entitled Fast Geometric Ensembling (FGE). Using FGE we can train high-performing ensembles in the time required to train a single model. We achieve improved performance compared to the recent state-of-the-art Snapshot Ensembles, on CIFAR-10, CIFAR-100, and ImageNet., Comment: Appears at Advances in Neural Information Processing Systems (NIPS), 2018

In industrial machine learning pipelines, data often arrive in parts. Particularly in the case of deep neural networks, it may be too expensive to train the model from scratch each time, so one would rather use a previously learned model and the new data to improve performance. However, deep neural networks are prone to getting stuck in a suboptimal solution when trained on only new data as compared to the full dataset. Our work focuses on a continuous learning setup where the task is always the same and new parts of data arrive sequentially. We apply a Bayesian approach to update the posterior approximation with each new piece of data and find this method to outperform the traditional approach in our experiments.

Convolutional neural networks excel in image recognition tasks, but this comes at the cost of high computational and memory complexity. To tackle this problem, [1] developed a tensor factorization framework to compress fully-connected layers. In this paper, we focus on compressing convolutional layers. We show that while the direct application of the tensor framework [1] to the 4-dimensional kernel of convolution does compress the layer, we can do better. We reshape the convolutional kernel into a tensor of higher order and factorize it. We combine the proposed approach with the previous work to compress both convolutional and fully-connected layers of a network and achieve 80x network compression rate with 1.1% accuracy drop on the CIFAR-10 dataset., Comment: NIPS 2016 workshop: Learning with Tensors: Why Now and How?