Author name cluster

Kahini Wadhawan

Possible papers associated with this exact author name in Arrow. This page groups case-insensitive exact name matches and is not a full identity disambiguation profile.

2 papers

1 author row

TMLR Journal 2024 Journal Article

Attribute Graphs Underlying Molecular Generative Models: Path to Learning with Limited Data

Samuel C Hoffman
Payel Das
Karthikeyan Shanmugam
Kahini Wadhawan
Prasanna Sattigeri

Training generative models that capture rich semantics of the data and interpreting the latent representations encoded by such models are very important problems in un-/self-supervised learning. In this work, we provide a simple algorithm that relies on perturbation experiments on latent codes of a pre-trained generative autoencoder to uncover an attribute graph that is implied by the generative model. We perform perturbation experiments to check for influence of a given latent variable on a subset of attributes. Given this, we show that one can fit an effective graphical model that models a structural equation model between latent codes taken as exogenous variables and attributes taken as observed variables. One interesting aspect is that a single latent variable controls multiple overlapping subsets of attributes unlike conventional approaches that try to impose full independence. Using a pre-trained generative autoencoder trained on a large dataset of small molecules, we demonstrate that the graphical model between various molecular attributes and latent codes learned by our algorithm can be used to predict a specific property for molecules which are drawn from a different distribution. We compare prediction models trained on various feature subsets chosen by simple baselines, as well as existing causal discovery and sparse learning/feature selection methods, with the ones in the derived Markov blanket from our method. Results show empirically that the predictor that relies on our Markov blanket attributes is robust to distribution shifts when transferred or fine-tuned with a few samples from the new distribution, especially when training data is limited.

PDF Details

NeurIPS Conference 2018 Conference Paper

Co-regularized Alignment for Unsupervised Domain Adaptation

Abhishek Kumar
Prasanna Sattigeri
Kahini Wadhawan
Leonid Karlinsky
Rogerio Feris
Bill Freeman
Gregory Wornell

Deep neural networks, trained with large amount of labeled data, can fail to generalize well when tested with examples from a target domain whose distribution differs from the training data distribution, referred as the source domain. It can be expensive or even infeasible to obtain required amount of labeled data in all possible domains. Unsupervised domain adaptation sets out to address this problem, aiming to learn a good predictive model for the target domain using labeled examples from the source domain but only unlabeled examples from the target domain. Domain alignment approaches this problem by matching the source and target feature distributions, and has been used as a key component in many state-of-the-art domain adaptation methods. However, matching the marginal feature distributions does not guarantee that the corresponding class conditional distributions will be aligned across the two domains. We propose co-regularized domain alignment for unsupervised domain adaptation, which constructs multiple diverse feature spaces and aligns source and target distributions in each of them individually, while encouraging that alignments agree with each other with regard to the class predictions on the unlabeled target examples. The proposed method is generic and can be used to improve any domain adaptation method which uses domain alignment. We instantiate it in the context of a recent state-of-the-art method and observe that it provides significant performance improvements on several domain adaptation benchmarks.

PDF Details