Computing derivatives is key to many algorithms in scientific computing and machine learning such as optimization, uncertainty quantification, and stability analysis. Enzyme is a LLVM compiler plugin that performs reverse-mode automatic differentiation (AD) and thus generates high performance gradients of programs in languages including C/C++, Fortran, Julia, and Rust. Prior to this work, Enzyme and other AD tools were not capable of generating gradients of GPU kernels. Our paper presents a combination of novel techniques that make Enzyme the first fully automatic reversemode AD tool to generate gradients of GPU kernels. Since unlike other tools Enzyme performs automatic differentiation within a general-purpose compiler, we are able to introduce several novel GPU and AD-specific optimizations. To show the generality and efficiency of our approach, we compute gradients of five GPU-based HPC applications, executed on NVIDIA and AMD GPUs. All benchmarks run within an order of magnitude of the original program's execution time. Without GPU and AD-specific optimizations, gradients of GPU kernels either fail to run from a lack of resources or have infeasible overhead. Finally, we demonstrate that increasing the problem size by either increasing the number of threads or increasing the work per thread, does not substantially impact the overhead from differentiation.
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Randomized Automatic Differentiation
The successes of deep learning, variational inference, and many other fields have been aided by specialized implementations of reverse-mode automatic differentiation (AD) to compute gradients of mega-dimensional objectives. The AD techniques underlying these tools were designed to compute exact gradients to numerical precision, but modern machine learning models are almost always trained with stochastic gradient descent. Why spend computation and memory on exact (minibatch) gradients only to use them for stochastic optimization? We develop a general framework and approach for randomized automatic differentiation (RAD), which can allow unbiased gradient estimates to be computed with reduced memory in return for variance. We examine limitations of the general approach, and argue that we must leverage problem specific structure to realize benefits. We develop RAD techniques for a variety of simple neural network architectures, and show that for a fixed memory budget, RAD converges in fewer iterations than using a small batch size for feedforward networks, and in a similar number for recurrent networks. We also show that RAD can be applied to scientific computing, and use it to develop a low-memory stochastic gradient method for optimizing the control parameters of a linear reaction-diffusion PDE representing a fission reactor.
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- Award ID(s):
- 2007278
- NSF-PAR ID:
- 10298926
- Date Published:
- Journal Name:
- International Conference on Learning Representations (ICLR)
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Abstract We have developed a differentiable programming framework for truncated hierarchical B-splines (THB-splines), which can be used for several applications in geometry modeling, such as surface fitting and deformable image registration, and can be easily integrated with geometric deep learning frameworks. Differentiable programming is a novel paradigm that enables an algorithm to be differentiated via automatic differentiation, i.e., using automatic differentiation to compute the derivatives of its outputs with respect to its inputs or parameters. Differentiable programming has been used extensively in machine learning for obtaining gradients required in optimization algorithms such as stochastic gradient descent (SGD). While incorporating differentiable programming with traditional functions is straightforward, it is challenging when the functions are complex, such as splines. In this work, we extend the differentiable programming paradigm to THB-splines. THB-splines offer an efficient approach for complex surface fitting by utilizing a hierarchical tensor structure of B-splines, enabling local adaptive refinement. However, this approach brings challenges, such as a larger computational overhead and the non-trivial implementation of automatic differentiation and parallel evaluation algorithms. We use custom kernel functions for GPU acceleration in forward and backward evaluation that are necessary for differentiable programming of THB-splines. Our approach not only improves computational efficiency but also significantly enhances the speed of surface evaluation compared to previous methods. Our differentiable THB-splines framework facilitates faster and more accurate surface modeling with local refinement, with several applications in CAD and isogeometric analysis.
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A core capability of intelligent systems is the ability to quickly learn new tasks by drawing on prior experience. Gradient (or optimization) based meta-learning has recently emerged as an effective approach for few-shot learning. In this formulation, meta-parameters are learned in the outer loop, while task-specific models are learned in the inner-loop, by using only a small amount of data from the current task. A key challenge in scaling these approaches is the need to differentiate through the inner loop learning process, which can impose considerable computational and memory burdens. By drawing upon implicit differentiation, we develop the implicit MAML algorithm, which depends only on the solution to the inner level optimization and not the path taken by the inner loop optimizer. This effectively decouples the meta-gradient computation from the choice of inner loop optimizer. As a result, our approach is agnostic to the choice of inner loop optimizer and can gracefully handle many gradient steps without vanishing gradients or memory constraints. Theoretically, we prove that implicit MAML can compute accurate meta-gradients with a memory footprint that is, up to small constant factors, no more than that which is required to compute a single inner loop gradient and at no overall increase in the total computational cost. Experimentally, we show that these benefits of implicit MAML translate into empirical gains on few-shot image recognition benchmarks.more » « less
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Accepted Manuscript1.0
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