Ishan Kumar

Ishan Kumar, Zhijing Jin, Ehsan Mokhtarian et al.

Citation count of a paper is a commonly used proxy for evaluating the significance of a paper in the scientific community. Yet citation measures are widely criticized for failing to accurately reflect the true impact of a paper. Thus, we propose CausalCite, a new way to measure the significance of a paper by assessing the causal impact of the paper on its follow-up papers. CausalCite is based on a novel causal inference method, TextMatch, which adapts the traditional matching framework to high-dimensional text embeddings. TextMatch encodes each paper using text embeddings from large language models (LLMs), extracts similar samples by cosine similarity, and synthesizes a counterfactual sample as the weighted average of similar papers according to their similarity values. We demonstrate the effectiveness of CausalCite on various criteria, such as high correlation with paper impact as reported by scientific experts on a previous dataset of 1K papers, (test-of-time) awards for past papers, and its stability across various subfields of AI. We also provide a set of findings that can serve as suggested ways for future researchers to use our metric for a better understanding of the quality of a paper. Our code is available at https://github.com/causalNLP/causal-cite.

Ishan Kumar, Prateek K Jha

In this work, we present a method to generate a configurational level fingerprint for polymers using the Bead-Spring-Model. Unlike some of the previous fingerprinting approaches that employ monomer-level information where atomistic descriptors are computed using quantum chemistry calculations, this approach incorporates configurational information from a coarse-grained model of a long polymer chain. The proposed approach may be advantageous for the study of behavior resulting from large molecular weights. To create this fingerprint, we make use of two kinds of descriptors. First, we calculate certain geometric descriptors like Re2, Rg2 etc. and label them as Calculated Descriptors. Second, we generate a set of data-driven descriptors using an unsupervised autoencoder model and call them Learnt Descriptors. Using a combination of both of them, we are able to learn mappings from the structure to various properties of the polymer chain by training ML models. We test our fingerprint to predict the probability of occurrence of a configuration at equilibrium, which is approximated by a simple linear relationship between the instantaneous internal energy and equilibrium average internal energy.