algorithmic differentiation
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Nonsmooth Implicit Differentiation for Machine-Learning and Optimization
In view of training increasingly complex learning architectures, we establish a nonsmooth implicit function theorem with an operational calculus. Our result applies to most practical problems (i.e., definable problems) provided that a nonsmooth form of the classical invertibility condition is fulfilled. This approach allows for formal subdifferentiation: for instance, replacing derivatives by Clarke Jacobians in the usual differentiation formulas is fully justified for a wide class of nonsmooth problems. Moreover this calculus is entirely compatible with algorithmic differentiation (e.g., backpropagation). We provide several applications such as training deep equilibrium networks, training neural nets with conic optimization layers, or hyperparameter-tuning for nonsmooth Lasso-type models. To show the sharpness of our assumptions, we present numerical experiments showcasing the extremely pathological gradient dynamics one can encounter when applying implicit algorithmic differentiation without any hypothesis.
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Nonsmooth Implicit Differentiation for Machine-Learning and Optimization
In view of training increasingly complex learning architectures, we establish a nonsmooth implicit function theorem with an operational calculus. Our result applies to most practical problems (i.e., definable problems) provided that a nonsmooth form of the classical invertibility condition is fulfilled. This approach allows for formal subdifferentiation: for instance, replacing derivatives by Clarke Jacobians in the usual differentiation formulas is fully justified for a wide class of nonsmooth problems. Moreover this calculus is entirely compatible with algorithmic differentiation (e.g., backpropagation). We provide several applications such as training deep equilibrium networks, training neural nets with conic optimization layers, or hyperparameter-tuning for nonsmooth Lasso-type models.
Scaling up and Stabilizing Differentiable Planning with Implicit Differentiation
Zhao, Linfeng, Xu, Huazhe, Wong, Lawson L. S.
Differentiable planning promises end-to-end differentiability and adaptivity. However, an issue prevents it from scaling up to larger-scale problems: they need to differentiate through forward iteration layers to compute gradients, which couples forward computation and backpropagation, and needs to balance forward planner performance and computational cost of the backward pass. To alleviate this issue, we propose to differentiate through the Bellman fixed-point equation to decouple forward and backward passes for Value Iteration Network and its variants, which enables constant backward cost (in planning horizon) and flexible forward budget and helps scale up to large tasks. We study the convergence stability, scalability, and efficiency of the proposed implicit version of VIN and its variants and demonstrate their superiorities on a range of planning tasks: 2D navigation, visual navigation, and 2-DOF manipulation in configuration space and workspace.
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Algorithmic Differentiation for Automated Modeling of Machine Learned Force Fields
Schmitz, Niklas Frederik, Müller, Klaus-Robert, Chmiela, Stefan
Reconstructing force fields (FFs) from atomistic simulation data is a challenge since accurate data can be highly expensive. Here, machine learning (ML) models can help to be data economic as they can be successfully constrained using the underlying symmetry and conservation laws of physics. However, so far, every descriptor newly proposed for an ML model has required a cumbersome and mathematically tedious remodeling. We therefore propose using modern techniques from algorithmic differentiation within the ML modeling process -- effectively enabling the usage of novel descriptors or models fully automatically at an order of magnitude higher computational efficiency. This paradigmatic approach enables not only a versatile usage of novel representations and the efficient computation of larger systems -- all of high value to the FF community -- but also the simple inclusion of further physical knowledge such as higher-order information (e.g. Hessians, more complex partial differential equations constraints etc.), even beyond the presented FF domain.
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Deep Learning Interviews: Hundreds of fully solved job interview questions from a wide range of key topics in AI
The second edition of Deep Learning Interviews is home to hundreds of fully-solved problems, from a wide range of key topics in AI. It is designed to both rehearse interview or exam specific topics and provide machine learning MSc / PhD. students, and those awaiting an interview a well-organized overview of the field. The problems it poses are tough enough to cut your teeth on and to dramatically improve your skills-but they're framed within thought-provoking questions and engaging stories. That is what makes the volume so specifically valuable to students and job seekers: it provides them with the ability to speak confidently and quickly on any relevant topic, to answer technical questions clearly and correctly, and to fully understand the purpose and meaning of interview questions and answers. Those are powerful, indispensable advantages to have when walking into the interview room. The book's contents is a large inventory of numerous topics relevant to DL job interviews and graduate level exams. That places this work at the forefront of the growing trend in science to teach a core set of practical mathematical and computational skills. It is widely accepted that the training of every computer scientist must include the fundamental theorems of ML, and AI appears in the curriculum of nearly every university. This volume is designed as an excellent reference for graduates of such programs.
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A mathematical model for automatic differentiation in machine learning
Bolte, Jerome, Pauwels, Edouard
Automatic differentiation, as implemented today, does not have a simple mathematical model adapted to the needs of modern machine learning. In this work we articulate the relationships between differentiation of programs as implemented in practice and differentiation of nonsmooth functions. To this end we provide a simple class of functions, a nonsmooth calculus, and show how they apply to stochastic approximation methods. We also evidence the issue of artificial critical points created by algorithmic differentiation and show how usual methods avoid these points with probability one.
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