MTRL-SCIOct 12, 2022
When does deep learning fail and how to tackle it? A critical analysis on polymer sequence-property surrogate modelsHimanshu, Tarak K Patra
Deep learning models are gaining popularity and potency in predicting polymer properties. These models can be built using pre-existing data and are useful for the rapid prediction of polymer properties. However, the performance of a deep learning model is intricately connected to its topology and the volume of training data. There is no facile protocol available to select a deep learning architecture, and there is a lack of a large volume of homogeneous sequence-property data of polymers. These two factors are the primary bottleneck for the efficient development of deep learning models. Here we assess the severity of these factors and propose new algorithms to address them. We show that a linear layer-by-layer expansion of a neural network can help in identifying the best neural network topology for a given problem. Moreover, we map the discrete sequence space of a polymer to a continuous one-dimensional latent space using a machine learning pipeline to identify minimal data points for building a universal deep learning model. We implement these approaches for three representative cases of building sequence-property surrogate models, viz., the single-molecule radius of gyration of a copolymer, adhesive free energy of a copolymer, and copolymer compatibilizer, demonstrating the generality of the proposed strategies. This work establishes efficient methods for building universal deep learning models with minimal data and hyperparameters for predicting sequence-defined properties of polymers.
SOFTSep 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.
CVMar 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.
LGFeb 21, 2025
Multi-agent Multi-armed Bandits with Minimum Reward Guarantee FairnessPiyushi Manupriya, Himanshu, SakethaNath Jagarlapudi et al.
We investigate the problem of maximizing social welfare while ensuring fairness in a multi-agent multi-armed bandit (MA-MAB) setting. In this problem, a centralized decision-maker takes actions over time, generating random rewards for various agents. Our goal is to maximize the sum of expected cumulative rewards, a.k.a. social welfare, while ensuring that each agent receives an expected reward that is at least a constant fraction of the maximum possible expected reward. Our proposed algorithm, RewardFairUCB, leverages the Upper Confidence Bound (UCB) technique to achieve sublinear regret bounds for both fairness and social welfare. The fairness regret measures the positive difference between the minimum reward guarantee and the expected reward of a given policy, whereas the social welfare regret measures the difference between the social welfare of the optimal fair policy and that of the given policy. We show that RewardFairUCB algorithm achieves instance-independent social welfare regret guarantees of $\tilde{O}(T^{1/2})$ and a fairness regret upper bound of $\tilde{O}(T^{3/4})$. We also give the lower bound of $Ω(\sqrt{T})$ for both social welfare and fairness regret. We evaluate RewardFairUCB's performance against various baseline and heuristic algorithms using simulated data and real world data, highlighting trade-offs between fairness and social welfare regrets.
CVFeb 28, 2024
Human Shape and Clothing EstimationAayush Gupta, Aditya Gulati, Himanshu et al.
Human shape and clothing estimation has gained significant prominence in various domains, including online shopping, fashion retail, augmented reality (AR), virtual reality (VR), and gaming. The visual representation of human shape and clothing has become a focal point for computer vision researchers in recent years. This paper presents a comprehensive survey of the major works in the field, focusing on four key aspects: human shape estimation, fashion generation, landmark detection, and attribute recognition. For each of these tasks, the survey paper examines recent advancements, discusses their strengths and limitations, and qualitative differences in approaches and outcomes. By exploring the latest developments in human shape and clothing estimation, this survey aims to provide a comprehensive understanding of the field and inspire future research in this rapidly evolving domain.
CYAug 9, 2021
Experiences with the Introduction of AI-based Tools for Moderation Automation of Voice-based Participatory Media ForumsAman Khullar, Paramita Panjal, Rachit Pandey et al.
Voice-based discussion forums where users can record audio messages which are then published for other users to listen and comment, are often moderated to ensure that the published audios are of good quality, relevant, and adhere to editorial guidelines of the forum. There is room for the introduction of AI-based tools in the moderation process, such as to identify and filter out blank or noisy audios, use speech recognition to transcribe the voice messages in text, and use natural language processing techniques to extract relevant metadata from the audio transcripts. We design such tools and deploy them within a social enterprise working in India that runs several voice-based discussion forums. We present our findings in terms of the time and cost-savings made through the introduction of these tools, and describe the feedback of the moderators towards the acceptability of AI-based automation in their workflow. Our work forms a case-study in the use of AI for automation of several routine tasks, and can be especially relevant for other researchers and practitioners involved with the use of voice-based technologies in developing regions of the world.