activity
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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Showing 2026Show all

6 papers · 1 filter

cs.LG2026

Lethe: Link Inference Attacks For Evaluation of Edge Unlearning Methods

Andrea D'Angelo, Francesco Gullo, Davide Mottin +2

Graph Unlearning (GU) aims to remove the influence of specific training data from a Graph Neural Network without retraining anew. While most methods address removal of nodes and fe…

cs.LG2026

DISSOLVR: An Interpretable and Fast Framework for Aqueous and Organic Solubility Prediction

Vansh Ramani, Har Ashish Arora, Dhairya Kuchhal +2

High-fidelity solubility prediction is fundamental to pharmaceutical development and environmental partitioning, where accurate modeling must couple molecular structure with thermo…

physics.chem-ph2026

SC3: The Multi-Solvent Solubility Challenge and Benchmark

Vansh Ramani, Har Ashish Arora, Dhairya Kuchhal +4

Solubility prediction is a standard benchmark in computational chemistry, yet multi-solvent models which reportedly approach the experimental-noise ceiling (i.e. the aleatoric limi…

cs.LG2026

GFFMERGE: Efficient Merging of Graph Neural Force Fields and Beyond

Parth Verma, Parv P. Singh, Vipul Garg +3

Graph Neural Networks (GNNs) have revolutionized Neural Force Fields for atomistic simulations, achieving near-quantum accuracy at reduced cost, yet adapting these models to new ch…

cs.LG2026

Position: Graph Condensation Needs a Reset -- Move Beyond Full-dataset Training and Model-Dependence

Mridul Gupta, Samyak Jain, Vansh Ramani +2

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains…

cs.AI2026

Revealing Interpretable Failure Modes of VLMs

Isha Chaudhary, Vedaant V Jain, Kavya Sachdeva +2

Vision-Language Models (VLMs) are increasingly used in safety-critical applications because of their broad reasoning capabilities and ability to generalize with minimal task-specif…