Solving an inverse problem with generative models

IF 6.2 Q1 CHEMISTRY, MULTIDISCIPLINARY
John R. Kitchin
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Abstract

Inverse problems, where we seek the values of inputs to a model that lead to a desired set of outputs, are considered a more challenging problem in science and engineering than forward problems where we compute or measure outputs from known inputs. In this work we demonstrate the use of two generative machine learning methods to solve inverse problems. We compare this approach to two more conventional approaches that use a forward model with nonlinear programming, and the use of a backward model. We illustrate each method on a dataset obtained from a simple remote instrument that has three inputs: the setting of the red, green and blue channels of an RGB LED. We focus on several outputs from a light sensor that measures intensity at 445 nm, 515 nm, 590 nm, and 630 nm. The specific problem we solve is identifying inputs that lead to a specific intensity in three of those channels. We show that generative models can be used to solve this kind of inverse problem, and they have some advantages over the conventional approaches.

Abstract Image

用生成模型求解一个逆问题
在科学和工程中,逆问题(我们寻求模型的输入值,从而得到所需的一组输出)被认为比正问题(我们计算或测量已知输入的输出)更具挑战性。在这项工作中,我们展示了使用两种生成式机器学习方法来解决逆问题。我们将这种方法与使用非线性规划的前向模型和使用后向模型的两种更传统的方法进行比较。我们在从一个简单的远程仪器获得的数据集上说明每种方法,该仪器有三个输入:RGB LED的红色,绿色和蓝色通道的设置。我们专注于测量445 nm, 515 nm, 590 nm和630 nm强度的光传感器的几个输出。我们要解决的具体问题是,在其中三个渠道中识别导致特定强度的输入。我们证明了生成模型可以用于求解这类逆问题,并且与传统方法相比具有一些优势。
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CiteScore
2.80
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