activity
20162026
most citedMoleculeNet: A Benchmark for Molecular Machine Learning

51 citations · 86 across the 12 of their papers we have counts for

collaborators

13 papers

cs.AI2026

Self-Organizing Agent Teams Learn to Reason Together

Aneesh Pappu, Mirac Suzgun, Yongchan Kwon +5

Collective intelligence depends not only on what team members know, but also on how they organize their work. When the structure of a solution is unknown, useful roles and division…

cs.AI2026

Physics of Agents: Statistical Mechanics Predicts Collective Behavior of AI Agents

Batu El, Jinhee Paeng, Fatih Dinc +7

AI agents increasingly operate as part of interacting systems rather than in isolation. As agents exchange information and jointly make decisions, their interactions can improve co…

cs.GT2026

TERMS-Bench: Diagnosing LLM Negotiation Agents Beyond Deal Rate

Erica Zhang, Fangzhao Zhang, Aneesh Pappu +5

Negotiation is a central mechanism of economic exchange, shaping markets, procurement, labor agreements, and resource allocation. It is also a canonical testbed for agentic languag…

cs.CL2026

Harnessing the Collective Intelligence of AI Agents in the Wild for New Discoveries

Federico Bianchi, Yongchan Kwon, Aneesh Pappu +1

Scientific discovery is often a collective process: researchers share partial results, inspect failed attempts, and build on each other's ideas over long time horizons. Recent AI s…

cs.MA2026★ 2 cited

Multi-Agent Teams Hold Experts Back

Aneesh Pappu, Batu El, Hancheng Cao +4

Multi-agent LLM systems are increasingly deployed as autonomous collaborators, where agents interact freely rather than execute fixed, pre-specified workflows. In such settings, ef…

cs.LG2025★ 1 cited

The Landscape of Memorization in LLMs: Mechanisms, Measurement, and Mitigation

Alexander Xiong, Xuandong Zhao, Aneesh Pappu +1

Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of tasks, yet they also exhibit memorization of their training data. This phenomenon rais…

cs.CR2025

Lessons from Defending Gemini Against Indirect Prompt Injections

Chongyang Shi, Sharon Lin, Shuang Song +11

Gemini is increasingly used to perform tasks on behalf of users, where function-calling and tool-use capabilities enable the model to access user data. Some tools, however, require…

cs.AI2024★ 2 cited

Operationalizing Contextual Integrity in Privacy-Conscious Assistants

Sahra Ghalebikesabi, Eugene Bagdasaryan, Ren Yi +10

Advanced AI assistants combine frontier LLMs and tool access to autonomously perform complex tasks on behalf of users. While the helpfulness of such assistants can increase dramati…

cs.LG2024★ 1 cited

Measuring memorization in RLHF for code completion

Aneesh Pappu, Billy Porter, Ilia Shumailov +1

Reinforcement learning with human feedback (RLHF) has become the dominant method to align large models to user preferences. Unlike fine-tuning, for which there are many studies reg…

cs.LG2020★ 13 cited

Making Graph Neural Networks Worth It for Low-Data Molecular Machine Learning

Aneesh Pappu, Brooks Paige

Graph neural networks have become very popular for machine learning on molecules due to the expressive power of their learnt representations. However, molecular machine learning is…

cs.CL2019

Do Massively Pretrained Language Models Make Better Storytellers?

Abigail See, Aneesh Pappu, Rohun Saxena +2

Large neural language models trained on massive amounts of text have emerged as a formidable strategy for Natural Language Understanding tasks. However, the strength of these model…

cs.LG2017★ 51 cited

MoleculeNet: A Benchmark for Molecular Machine Learning

Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg +5

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make…

cs.LG2016★ 16 cited

Low Data Drug Discovery with One-shot Learning

Han Altae-Tran, Bharath Ramsundar, Aneesh S. Pappu +1

Recent advances in machine learning have made significant contributions to drug discovery. Deep neural networks in particular have been demonstrated to provide significant boosts i…