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20232026
most citedTAGMol: Target-Aware Gradient-guided Molecule Generation

4 citations · 9 across the 16 of their papers we have counts for

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6 papers · 1 filter

cs.PL2025

Lumos: Let there be Language Model System Certification

Isha Chaudhary, Vedaant Jain, Prineet Parhar +4

We introduce the first principled framework, Lumos, for specifying and formally certifying Language Model System (LMS) behaviors. Lumos is an imperative probabilistic programming D…

cs.LG2025

GnnXemplar: Exemplars to Explanations -- Natural Language Rules for Global GNN Interpretability

Burouj Armgaan, Eshan Jain, Harsh Pandey +2

Graph Neural Networks (GNNs) are widely used for node classification, yet their opaque decision-making limits trust and adoption. While local explanations offer insights into indiv…

cs.LG2025

Panorama: Fast-Track Nearest Neighbors

Vansh Ramani, Alexis Schlomer, Akash Nayar +3

Approximate Nearest-Neighbor Search (ANNS) pipelines for high-dimensional neural embeddings spend the bulk of their query time in candidate verification, making it the primary bott…

cond-mat.mtrl-sci2025

UniFFBench: Evaluating Universal Machine Learning Force Fields Against Experimental Measurements

Sajid Mannan, Vaibhav Bihani, Carmelo Gonzales +5

Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evalua…

cs.LG2025

GRAIL: Graph Edit Distance and Node Alignment Using LLM-Generated Code

Samidha Verma, Arushi Goyal, Ananya Mathur +2

Graph Edit Distance (GED) is a widely used metric for measuring similarity between two graphs. Computing the optimal GED is NP-hard, leading to the development of various neural an…

cs.LG2025

GNNMerge: Merging of GNN Models Without Accessing Training Data

Vipul Garg, Ishita Thakre, Sayan Ranu

Model merging has gained prominence in machine learning as a method to integrate multiple trained models into a single model without accessing the original training data. While exi…