March 2026

The development of machine learning interatomic potentials faces a critical computational bottleneck with the generation and labeling of useful training datasets. We present a novel application of determinantal point processes (DPPs) to the task of selecting informative subsets of atomic configurations to label with reference energies and forces from costly quantum mechanical methods. Through experiments with hafnium oxide data, we show that DPPs are competitive with existing approaches to constructing compact but diverse training sets by utilizing kernels […]

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Due to the prevalence of temporal data and its inherent dependencies in many real-world problems, time series classification is of paramount importance in various domains. However, existing models often struggle with series of variable length or high dimensionality. This paper introduces the MIHT (Multi-instance Hoeffding Tree) algorithm, an efficient model that uses multi-instance learning to classify multivariate and variable-length time series while providing interpretable results. The algorithm uses a novel representation of time series as "bags of subseries," […]

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Differentiable simulators enable gradient-based optimization of soft robots over material parameters, control, and morphology, but accurately modeling real systems remains challenging due to the sim-to-real gap. This issue becomes more pronounced when geometry is itself a design variable. System identification reduces discrepancies by fitting global material parameters to data; however, when constitutive models are misspecified or observations are sparse, identified parameters often absorb geometry-dependent effects rather than reflect intrinsic material behavior. More expressive constitutive models can improve accuracy […]

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For an assignment, we need to train a NN to be able to play Tock (a ‘go around the board’ board game). This needs to be done using RL, and we are limited to Keras and TensorFlow. We would like to avoid using a Q-table if possible, but we are not sure how to update the network’s weights and biases based on the reward. We did come across the Actor Critic method to do this, but we were […]

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Gaussian Error Linear Unit (GELU) is a widely used smooth alternative to Rectifier Linear Unit (ReLU), yet many deployment, compression, and analysis toolchains are most naturally expressed for piecewise-linear (ReLU-type) networks. We study a hardness-parameterized formulation of GELU, f(x;λ)=xΦ(λ x), where Φ is the Gaussian CDF and λ in [1, infty) controls gate sharpness, with the goal of turning smooth gated training into a controlled path toward ReLU-compatible models. Learning λ is non-trivial: naive updates yield unstable dynamics […]

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Reinforcement Learning (RL) has demonstrated its ability to solve complex decision-making problems in a variety of domains, by optimizing reward signals obtained through interaction with an environment. However, many real-world scenarios involve multiple, potentially conflicting objectives that cannot be easily represented by a single scalar reward. Multi-Objective Reinforcement Learning (MORL) addresses this limitation by enabling agents to optimize several objectives simultaneously, explicitly reasoning about trade-offs between them. However, the “black box" nature of the RL models makes the […]

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