Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks --- neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

Many training data attribution (TDA) methods aim to estimate how a model's behavior would change if one or more data points were removed from the training set. Methods based on implicit differentiation, such as influence functions, can be made computationally efficient, but fail to account for underspecification, the implicit bias of the optimization algorithm, or multi-stage training pipelines. By contrast, methods based on unrolling address these issues but face scalability challenges. In this work, we connect the implicit-differentiation-based and unrolling-based approaches and combine their benefits by introducing Source, an approximate unrolling-based TDA method that is computed using an influence-function-like formula. While being computationally efficient compared to unrolling-based approaches, Source is suitable in cases where implicit-differentiation-based approaches struggle, such as in non-converged models and multi-stage training pipelines. Empirically, Source outperforms existing TDA techniques in counterfactual prediction, especially in settings where implicit-differentiation-based approaches fall short.

Text-to-3D modelling has seen exciting progress by combining generative text-to-image models with image-to-3D methods like Neural Radiance Fields. DreamFusion recently achieved high-quality results but requires a lengthy, per-prompt optimization to create 3D objects. To address this, we amortize optimization over text prompts by training on many prompts simultaneously with a unified model, instead of separately. With this, we share computation across a prompt set, training in less time than per-prompt optimization. Our framework – Amortized Text-to-3D (ATT3D) – enables knowledge sharing between prompts to generalize to unseen setups and smooth interpolations between text for novel assets and simple animations.

We generalize gradient descent with momentum for optimization in differentiable games to have complex-valued momentum. We give theoretical motivation for our method by proving convergence on bilinear zero-sum games for simultaneous and alternating updates. Our method gives real-valued parameter updates, making it a drop-in replacement for standard optimizers. We empirically demonstrate that complex-valued momentum can improve convergence in realistic adversarial games–like generative adversarial networks– by showing we can find better solutions with an almost identical computational cost. We also show a practical complex-valued Adam variant, which we use to train BigGAN to improve inception scores on CIFAR-10.

Many problems in machine learning involve bilevel optimization (BLO), including hyperparameter optimization, meta-learning, and dataset distillation. Bilevel problems involve inner and outer parameters, each optimized for its own objective. Often, at least one of the two levels is underspecified and there are multiple ways to choose among equivalent optima. Inspired by recent studies of the implicit bias induced by optimization algorithms in single-level optimization, we investigate the implicit bias of different gradient-based algorithms for jointly optimizing the inner and outer parameters. We delineate two standard BLO methods—cold-start and warm-start BLO—and show that the converged solution or long-run behavior depends to a large degree on these and other algorithmic choices, such as the hypergradient approximation. We also show that the solutions from warm-start BLO can encode a surprising amount of information about the outer objective, even when the outer optimization variables are low-dimensional. We believe that implicit bias deserves as central a role in the study of bilevel optimization as it has attained in the study of single-level neural net optimization.

Pre-training (PT) followed by fine-tuning (FT) is an effective method for training neural networks, and has led to significant performance improvements in many domains. PT can incorporate various design choices such as task and data reweighting strategies, augmentation policies, and noise models, all of which can significantly impact the quality of representations learned. The hyperparameters introduced by these strategies therefore must be tuned appropriately. However, setting the values of these hyperparameters is challenging. Most existing methods either struggle to scale to high dimensions, are too slow and memory-intensive, or cannot be directly applied to the two-stage PT and FT learning process. In this work, we propose an efficient, gradient-based algorithm to meta-learn PT hyperparameters. We formalize the PT hyperparameter optimization problem and propose a novel method to obtain PT hyperparameter gradients by combining implicit differentiation and backpropagation through unrolled optimization. We demonstrate that our method improves predictive performance on two real-world domains. First, we optimize high-dimensional task weighting hyperparameters for multitask pre-training on protein-protein interaction graphs and improve AUROC by up to 3.9%. Second, we optimize a data augmentation neural network for self-supervised PT with SimCLR on electrocardiography data and improve AUROC by up to 1.9%.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network—where every weight is a hyperparameter tuned for validation performance—outputting augmented training examples. Jointly tuning weights and hyper-parameters is only a few times more costly in memory and compute than standard training.