1.2SOFTSep 15, 2024
Extrapolative ML Models for CopolymersIsrarul H. Hashmi, Himanshu, Rahul Karmakar et al.
Machine learning models have been progressively used for predicting materials properties. These models can be built using pre-existing data and are useful for rapidly screening the physicochemical space of a material, which is astronomically large. However, ML models are inherently interpolative, and their efficacy for searching candidates outside a material's known range of property is unresolved. Moreover, the performance of an ML model is intricately connected to its learning strategy and the volume of training data. Here, we determine the relationship between the extrapolation ability of an ML model, the size and range of its training dataset, and its learning approach. We focus on a canonical problem of predicting the properties of a copolymer as a function of the sequence of its monomers. Tree search algorithms, which learn the similarity between polymer structures, are found to be inefficient for extrapolation. Conversely, the extrapolation capability of neural networks and XGBoost models, which attempt to learn the underlying functional correlation between the structure and property of polymers, show strong correlations with the volume and range of training data. These findings have important implications on ML-based new material development.
2.0CVMar 5, 2024
Gaze-Vector Estimation in the Dark with Temporally Encoded Event-driven Neural NetworksAbeer Banerjee, Naval K. Mehta, Shyam S. Prasad et al.
In this paper, we address the intricate challenge of gaze vector prediction, a pivotal task with applications ranging from human-computer interaction to driver monitoring systems. Our innovative approach is designed for the demanding setting of extremely low-light conditions, leveraging a novel temporal event encoding scheme, and a dedicated neural network architecture. The temporal encoding method seamlessly integrates Dynamic Vision Sensor (DVS) events with grayscale guide frames, generating consecutively encoded images for input into our neural network. This unique solution not only captures diverse gaze responses from participants within the active age group but also introduces a curated dataset tailored for low-light conditions. The encoded temporal frames paired with our network showcase impressive spatial localization and reliable gaze direction in their predictions. Achieving a remarkable 100-pixel accuracy of 100%, our research underscores the potency of our neural network to work with temporally consecutive encoded images for precise gaze vector predictions in challenging low-light videos, contributing to the advancement of gaze prediction technologies.
3.0ROSep 23, 2021
Acceleration based PSO for Multi-UAV Source-SeekingAdithya Shankar, Harikumar Kandath, J. Senthilnath
This paper presents a novel algorithm for a swarm of unmanned aerial vehicles (UAVs) to search for an unknown source. The proposed method is inspired by the well-known PSO algorithm and is called acceleration-based particle swarm optimization (APSO) to address the source-seeking problem with no a priori information. Unlike the conventional PSO algorithm, where the particle velocity is updated based on the self-cognition and social-cognition information, here the update is performed on the particle acceleration. A theoretical analysis is provided, showing the stability and convergence of the proposed APSO algorithm. Conditions on the parameters of the resulting third order update equations are obtained using Jurys stability test. High fidelity simulations performed in CoppeliaSim, shows the improved performance of the proposed APSO algorithm for searching an unknown source when compared with the state-of-the-art particle swarm-based source seeking algorithms. From the obtained results, it is observed that the proposed method performs better than the existing methods under scenarios like different inter-UAV communication network topologies, varying number of UAVs in the swarm, different sizes of search region, restricted source movement and in the presence of measurements noise.