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Equations governing physico-chemical processes are usually known at microscopic spatial scales, yet one suspects that there exist equations, e.g. in the form of Partial Differential Equations (PDEs), that can explain the system evolution at…
Evolutionary computation methods have been successfully applied to neural networks since two decades ago, while those methods cannot scale well to the modern deep neural networks due to the complicated architectures and large quantities of…
The performance of a deep neural network is heavily dependent on its architecture and various neural architecture search strategies have been developed for automated network architecture design. Recently, evolutionary neural architecture…
Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…
Efficient ground state search is fundamental to advancing combinatorial optimization problems and quantum chemistry. While the Variational Imaginary Time Evolution (VITE) method offers a useful alternative to Variational Quantum Eigensolver…
By combining Genetic Programming, MAP-Elites and Covariance Matrix Adaptation Evolution Strategy, we demonstrate very high success rates in Symbolic Regression problems. MAP-Elites is used to improve exploration while preserving diversity…
An efficient and trajectory-free active learning method is proposed to automatically sample data points for constructing globally accurate reactive potential energy surfaces (PESs) using neural networks (NNs). Although NNs do not provide…
The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…
Discrete latent variables are considered important for real world data, which has motivated research on Variational Autoencoders (VAEs) with discrete latents. However, standard VAE training is not possible in this case, which has motivated…
Currently, Deep Convolutional Neural Networks (DCNNs) are used to solve all kinds of problems in the field of machine learning and artificial intelligence due to their learning and adaptation capabilities. However, most successful DCNN…
Negative Selection Algorithms (NSAs), inspired by the self/non-self discrimination mechanism of the human immune system, have been widely employed in anomaly detection. However, their effectiveness is often constrained by the efficiency of…
Variational Quantum Eigensolver (VQE) is a hybrid algorithm for finding the minimum eigenvalue/vector of a given Hamiltonian by optimizing a parametrized quantum circuit (PQC) using a classical computer. Sequential optimization methods,…
We develop the theory of Energy Conserving Descent (ECD) and introduce ECDSep, a gradient-based optimization algorithm able to tackle convex and non-convex optimization problems. The method is based on the novel ECD framework of…
In this paper, we approach the problem of optimizing blackbox functions over large hybrid search spaces consisting of both combinatorial and continuous parameters. We demonstrate that previous evolutionary algorithms which rely on…
Hybrid quantum-classical algorithms appear to be the most promising approach for near-term quantum applications. An important bottleneck is the classical optimization loop, where the multiple local minima and the emergence of barren…
One potential drawback of using aggregated performance measurement in machine learning is that models may learn to accept higher errors on some training cases as compromises for lower errors on others, with the lower errors actually being…
Black-box coevolution in mixed-motive games is often undermined by opponent-drift non-stationarity and noisy rollouts, which distort progress signals and can induce cycling, Red-Queen dynamics, and detachment. We propose the \emph{Marker…
Conventional deep network training generally optimizes all samples under a largely uniform learning paradigm, without explicitly modeling the heterogeneous competition among them. Such an oversimplified treatment can lead to several…
In game theory, an Evolutionarily Stable Set (ES set) is a set of Nash Equilibrium (NE) strategies that give the same payoffs. Similar to an Evolutionarily Stable Strategy (ES strategy), an ES set is also a strict NE. This work investigates…
Training networks consisting of biophysically accurate neuron models could allow for new insights into how brain circuits can organize and solve tasks. We begin by analyzing the extent to which the central algorithm for neural network…