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Stochastic gradient descent is the most prevalent algorithm to train neural networks. However, other approaches such as evolutionary algorithms are also applicable to this task. Evolutionary algorithms bring unique trade-offs that are worth…
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…
A number of optimization approaches have been proposed for optimizing nonconvex objectives (e.g. deep learning models), such as batch gradient descent, stochastic gradient descent and stochastic variance reduced gradient descent. Theory…
Stochastic gradient descent (SGD), which dates back to the 1950s, is one of the most popular and effective approaches for performing stochastic optimization. Research on SGD resurged recently in machine learning for optimizing convex loss…
Evolution Strategies (ESs) have recently become popular for training deep neural networks, in particular on reinforcement learning tasks, a special form of controller design. Compared to classic problems in continuous direct search, deep…
Graph embeddings play a critical role in graph representation learning, allowing machine learning models to explore and interpret graph-structured data. However, existing methods often rely on opaque, high-dimensional embeddings, limiting…
Differential equations are pivotal in modeling and understanding the dynamics of various systems, offering insights into their future states through parameter estimation fitted to time series data. In fields such as economy, politics, and…
Neural networks (NN)-based learning algorithms are strongly affected by the choices of initialization and data distribution. Different optimization strategies have been proposed for improving the learning trajectory and finding a better…
Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that optimize the high-dimensional initial noise suffer from severe…
Deep Reinforcement Learning (RL) has emerged as a powerful method for addressing complex control problems, particularly those involving underactuated robotic systems. However, in some cases, policies may require refinement to achieve…
Algorithm unrolling has emerged as a learning-based optimization paradigm that unfolds truncated iterative algorithms in trainable neural-network optimizers. We introduce Stochastic UnRolled Federated learning (SURF), a method that expands…
Additive parameter updates, as used in gradient descent and its adaptive extensions, underpin most modern machine-learning optimization. Yet, such additive schemes often demand numerous iterations and intricate learning-rate schedules to…
Steepest descent algorithms, which are commonly used in deep learning, use the gradient as the descent direction, either as-is or after a direction shift using preconditioning. In many scenarios calculating the gradient is numerically hard…
This paper aims for set-to-hypergraph prediction, where the goal is to infer the set of relations for a given set of entities. This is a common abstraction for applications in particle physics, biological systems, and combinatorial…
Variational quantum circuits have arisen as an important method in quantum computing. A crucial step of it is parameter optimization, which is typically tackled through gradient-descent techniques. We advantageously explore instead the use…
Finding the optimal parameter setting (i.e. the optimal population size, the optimal mutation probability, the optimal evolutionary model etc) for an Evolutionary Algorithm (EA) is a difficult task. Instead of evolving only the parameters…
Evolutionary algorithms (EA) have been widely accepted as efficient solvers for complex real world optimization problems, including engineering optimization. However, real world optimization problems often involve uncertain environment…
Stochastic approximation (SA) is a key method used in statistical learning. Recently, its non-asymptotic convergence analysis has been considered in many papers. However, most of the prior analyses are made under restrictive assumptions…
Graph embedding techniques are pivotal in real-world machine learning tasks that operate on graph-structured data, such as social recommendation and protein structure modeling. Embeddings are mostly performed on the node level for learning…
Dynamic optimization problems have gained significant attention in evolutionary computation as evolutionary algorithms (EAs) can easily adapt to changing environments. We show that EAs can solve the graph coloring problem for bipartite…