Although this might initially seem more intuitive, we will show with a small counterexample why we should consider any stochastic nodes ordered topologically before i instead of just those that directly influence i.

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems.

Physics-informed neural networks (PINNs) are neural networks trained by using physical laws in the form of partial differential equations (PDEs) as soft constraints. We present a new technique for the accelerated training of PINNs that combines modern scientific computing techniques with machine learning: discretely-trained PINNs (DT-PINNs). The repeated computation of the partial derivative terms in the PINN loss functions via automatic differentiation during training is known to be computationally expensive, especially for higher-order derivatives. DT-PINNs are trained by replacing these exact spatial derivatives with high-order accurate numerical discretizations computed using meshless radial basis function-finite differences (RBF-FD) and applied via sparse-matrix vector multiplication. While in principle any high-order discretization may be used, the use of RBF-FD allows for DT-PINNs to be trained even on point cloud samples placed on irregular domain geometries.

Morphology-control co-design concerns the coupled optimization of an agent's body structure and control policy. This problem exhibits a bi-level structure, where the control dynamically adapts to the morphology to maximize performance. Existing methods typically neglect the control's adaptation dynamics by adopting a single-level formulation that treats the control policy as fixed when optimizing morphology. This can lead to inefficient optimization, as morphology updates may be misaligned with control adaptation. In this paper, we revisit the co-design problem from a game-theoretic perspective, modeling the intrinsic coupling between morphology and control as a novel variant of a Stackelberg game. We propose Stackelberg Proximal Policy Optimization (Stackelberg PPO), which explicitly incorporates the control's adaptation dynamics into morphology optimization. By modeling this intrinsic coupling, our method aligns morphology updates with control adaptation, thereby stabilizing training and improving learning efficiency. Experiments across diverse co-design tasks demonstrate that Stackelberg PPO outperforms standard PPO in both stability and final performance, opening the way for dramatically more efficient robotics designs.

We review the current state of automatic differentiation (AD) for array programming in machine learning (ML), including the different approaches such as operator overloading (OO) and source transformation (ST) used for AD, graph-based intermediate representations for programs, and source languages. Based on these insights, we introduce a new graph-based intermediate representation (IR) which specifically aims to efficiently support fully-general AD for array programming. Unlike existing dataflow programming representations in ML frameworks, our IR naturally supports function calls, higher-order functions and recursion, making ML models easier to implement. The ability to represent closures allows us to perform AD using ST without a tape, making the resulting derivative (adjoint) program amenable to ahead-of-time optimization using tools from functional language compilers, and enabling higher-order derivatives. Lastly, we introduce a proof of concept compiler toolchain called Myia which uses a subset of Python as a front end.

The need to efficiently calculate first-and higher-order derivatives of increasingly complex models expressed in Python has stressed or exceeded the capabilities of available tools. In this work, we explore techniques from the field of automatic differentiation (AD) that can give researchers expressive power, performance and strong usability. These include source-code transformation (SCT), flexible gradient surgery, efficient in-place array operations, and higher-order derivatives. We implement and demonstrate these ideas in the Tangent software library for Python, the first AD framework for a dynamic language that uses SCT.