A detailed algorithmic explanation is required for how a network of chemical reactions can generate the sophisticated behavior displayed by living cells. Though several previous works have shown that reaction networks are computationally universal and can in principle implement any algorithm, there is scope for constructions that map well onto biological reality, make efficient use of the computational potential of the native dynamics of reaction networks, and make contact with statistical mechanics. We describe a new reaction network scheme for solving a large class of statistical problems. Specifically we show how reaction networks can implement information projection, and consequently a generalized Expectation-Maximization algorithm, to solve maximum likelihood estimation problems in partially-observed exponential families on categorical data. Our scheme can be thought of as an algorithmic interpretation of E. T. Jaynes’s vision of statistical mechanics as statistical inference.
@cite_2 , have shown how to implement a Boltzmann machine with reaction networks. The reaction network is able to do inference, but the Boltzmann machine training to learn weights has to be done in silico . In Example , we have shown how the EM algorithm can also be used to implement Boltzmann machines. There are pros and cons to our EM approach for this problem. The advantage is that Boltzmann machine training also happens in vitro and in an online manner. The disadvantage is that as described the EM implementation has not exploited the graphical structure of Boltzmann machines, and hence requires an exponentially large number of species for implementation. In contrast, the construction requires a linear number of species.
@cite_2
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We present a new learning algorithm for Boltzmann machines that contain many layers of hidden variables. Data-dependent expectations are estimated using a variational approximation that tends to focus on a single mode, and dataindependent expectations are approximated using persistent Markov chains. The use of two quite different techniques for estimating the two types of expectation that enter into the gradient of the log-likelihood makes it practical to learn Boltzmann machines with multiple hidden layers and millions of parameters. The learning can be made more efficient by using a layer-by-layer “pre-training” phase that allows variational inference to be initialized with a single bottomup pass. We present results on the MNIST and NORB datasets showing that deep Boltzmann machines learn good generative models and perform well on handwritten digit and visual object recognition tasks. How smart can a micron-sized bag of chemicals be? How can an artificial or real cell make inferences about its environment? From which kinds of probability distributions can chemical reaction networks sample? We begin tackling these questions by showing three ways in which a stochastic chemical reaction network can implement a Boltzmann machine, a stochastic neural network model that can generate a wide range of probability distributions and compute conditional probabilities. The resulting models, and the associated theorems, provide a road map for constructing chemical reaction networks that exploit their native stochasticity as a computational resource. Finally, to show the potential of our models, we simulate a chemical Boltzmann machine to classify and generate MNIST digits in-silico. We develop a novel modeling framework for Boltzmann machines, augmenting each hidden unit with a latent transformation assignment variable which describes the selection of the transformed view of the canonical connection weights associated with the unit. This enables the inferences of the model to transform in response to transformed input data in a stable and predictable way, and avoids learning multiple features differing only with respect to the set of transformations. Extending prior work on translation equivariant (convolutional) models, we develop translation and rotation equivariant restricted Boltzmann machines (RBMs) and deep belief nets (DBNs), and demonstrate their effectiveness in learning frequently occurring statistical structure from artificial and natural images. Restricted Boltzmann machines were developed using binary stochastic hidden units. These can be generalized by replacing each binary unit by an infinite number of copies that all have the same weights but have progressively more negative biases. The learning and inference rules for these "Stepped Sigmoid Units" are unchanged. They can be approximated efficiently by noisy, rectified linear units. Compared with binary units, these units learn features that are better for object recognition on the NORB dataset and face verification on the Labeled Faces in the Wild dataset. Unlike binary units, rectified linear units preserve information about relative intensities as information travels through multiple layers of feature detectors.