Portrait of Hadi Nekoei is unavailable

Hadi Nekoei

Alumni

Publications

Just-in-time Episodic Feedback Hinter: Leveraging Offline Knowledge to Improve LLM Agents Adaptation
Aman Jaiswal
Oleh Shliazhko
Orlando Marquez Ayala
Massimo Caccia
Alexandre Lacoste
Large language model (LLM) agents perform well in sequential decision-making tasks, but improving them on unfamiliar domains often requires … (see more)costly online interactions or fine-tuning on large expert datasets. These strategies are impractical for closed-source models and expensive for open-source ones, with risks of catastrophic forgetting. Offline trajectories offer reusable knowledge, yet demonstration-based methods struggle because raw traces are long, noisy, and tied to specific tasks. We present Just-in-time Episodic Feedback Hinter (JEF Hinter), an agentic system that distills offline traces into compact, context-aware hints. A zooming mechanism highlights decisive steps in long trajectories, capturing both strategies and pitfalls. Unlike prior methods, JEF Hinter leverages both successful and failed trajectories, extracting guidance even when only failure data is available, while supporting parallelized hint generation and benchmark-independent prompting. At inference, a retriever selects relevant hints for the current state, providing targeted guidance with transparency and traceability. Experiments on MiniWoB++, WorkArena-L1, and WebArena-Lite show that JEF Hinter consistently outperforms strong baselines, including human- and document-based hints.
How to Train Your LLM Web Agent: A Statistical Diagnosis
Large language model (LLM) agents for web interfaces have advanced rapidly, yet open-source systems still lag behind proprietary agents. Bri… (see more)dging this gap is key to enabling customizable, efficient, and privacy-preserving agents. Two challenges hinder progress: the reproducibility issues in RL and LLM agent training, where results often depend on sensitive factors like seeds and decoding parameters, and the focus of prior work on single-step tasks, overlooking the complexities of web-based, multi-step decision-making. We address these gaps by providing a statistically driven study of training LLM agents for web tasks. Our two-stage pipeline combines imitation learning from a Llama 3.3 70B teacher with on-policy fine-tuning via Group Relative Policy Optimization (GRPO) on a Llama 3.1 8B student. Through 240 configuration sweeps and rigorous bootstrapping, we chart the first compute allocation curve for open-source LLM web agents. Our findings show that dedicating one-third of compute to teacher traces and the rest to RL improves MiniWoB++ success by 6 points and closes 60% of the gap to GPT-4o on WorkArena, while cutting GPU costs by 45%. We introduce a principled hyperparameter sensitivity analysis, offering actionable guidelines for robust and cost-effective agent training.
How to Train Your LLM Web Agent: A Statistical Diagnosis
LLM-based web agents have recently made significant progress, but much of it has occurred in closed-source systems, widening the gap with op… (see more)en-source alternatives. Progress has been held back by two key challenges: first, a narrow focus on single-step tasks that overlooks the complexity of multi-step web interactions; and second, the high compute costs required to post-train LLM-based web agents. To address this, we present the first statistically grounded study on compute allocation for LLM web-agent post-training. Our approach uses a two-stage pipeline, training a Llama 3.1 8B student to imitate a Llama 3.3 70B teacher via supervised fine-tuning (SFT), followed by on-policy reinforcement learning. We find this process highly sensitive to hyperparameter choices, making exhaustive sweeps impractical. To spare others from expensive trial-and-error, we sample 1,370 configurations and use bootstrapping to estimate effective hyperparameters. Our results show that combining SFT with on-policy RL consistently outperforms either approach alone on both WorkArena and MiniWob++. Further, this strategy requires only 55% of the compute to match the peak performance of pure SFT on MiniWob++, effectively pushing the compute-performance Pareto frontier, and is the only strategy that can close the gap with closed-source models.
A Generalist Hanabi Agent
Traditional multi-agent reinforcement learning (MARL) systems can develop cooperative strategies through repeated interactions. However, the… (see more)se systems are unable to perform well on any other setting than the one they have been trained on, and struggle to successfully cooperate with unfamiliar collaborators. This is particularly visible in the Hanabi benchmark, a popular 2-to-5 player cooperative card-game which requires complex reasoning and precise assistance to other agents. Current MARL agents for Hanabi can only learn one specific game-setting (e.g., 2-player games), and play with the same algorithmic agents. This is in stark contrast to humans, who can quickly adjust their strategies to work with unfamiliar partners or situations. In this paper, we introduce Recurrent Replay Relevance Distributed DQN (R3D2), a generalist agent for Hanabi, designed to overcome these limitations. We reformulate the task using text, as language has been shown to improve transfer. We then propose a distributed MARL algorithm that copes with the resulting dynamic observation- and action-space. In doing so, our agent is the first that can play all game settings concurrently, and extend strategies learned from one setting to other ones. As a consequence, our agent also demonstrates the ability to collaborate with different algorithmic agents ---agents that are themselves unable to do so.
Generative Active Learning for the Search of Small-molecule Protein Binders
Cheng-Hao Liu
Moksh J. Jain
Almer M. van der Sloot
Eric Jolicoeur
Edward Ruediger
Daniel St-Cyr
Doris Alexandra Schuetz
Victor I Butoi
Simon R. Blackburn
Sai Krishna Gottipati
Prateek Gupta
Sasikanth Avancha
William L. Hamilton
Brooks Paige
Sanchit Misra
Stanisław Jastrzębski
Bharat Kaul
José Miguel Hernández-Lobato
Marwin Segler
Michael M. Bronstein
Anne Marinier
Mike Tyers
Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exh… (see more)ibit a property of interest remains a significant challenge. We introduce LambdaZero, a generative active learning approach to search for synthesizable molecules. Powered by deep reinforcement learning, LambdaZero learns to search over the vast space of molecules to discover candidates with a desired property. We apply LambdaZero with molecular docking to design novel small molecules that inhibit the enzyme soluble Epoxide Hydrolase 2 (sEH), while enforcing constraints on synthesizability and drug-likeliness. LambdaZero provides an exponential speedup in terms of the number of calls to the expensive molecular docking oracle, and LambdaZero de novo designed molecules reach docking scores that would otherwise require the virtual screening of a hundred billion molecules. Importantly, LambdaZero discovers novel scaffolds of synthesizable, drug-like inhibitors for sEH. In in vitro experimental validation, a series of ligands from a generated quinazoline-based scaffold were synthesized, and the lead inhibitor N-(4,6-di(pyrrolidin-1-yl)quinazolin-2-yl)-N-methylbenzamide (UM0152893) displayed sub-micromolar enzyme inhibition of sEH.
Fairness Incentives in Response to Unfair Dynamic Pricing
The use of dynamic pricing by profit-maximizing firms gives rise to demand fairness concerns, measured by discrepancies in consumer groups' … (see more)demand responses to a given pricing strategy. Notably, dynamic pricing may result in buyer distributions unreflective of those of the underlying population, which can be problematic in markets where fair representation is socially desirable. To address this, policy makers might leverage tools such as taxation and subsidy to adapt policy mechanisms dependent upon their social objective. In this paper, we explore the potential for AI methods to assist such intervention strategies. To this end, we design a basic simulated economy, wherein we introduce a dynamic social planner (SP) to generate corporate taxation schedules geared to incentivizing firms towards adopting fair pricing behaviours, and to use the collected tax budget to subsidize consumption among underrepresented groups. To cover a range of possible policy scenarios, we formulate our social planner's learning problem as a multi-armed bandit, a contextual bandit and finally as a full reinforcement learning (RL) problem, evaluating welfare outcomes from each case. To alleviate the difficulty in retaining meaningful tax rates that apply to less frequently occurring brackets, we introduce FairReplayBuffer, which ensures that our RL agent samples experiences uniformly across a discretized fairness space. We find that, upon deploying a learned tax and redistribution policy, social welfare improves on that of the fairness-agnostic baseline, and approaches that of the analytically optimal fairness-aware baseline for the multi-armed and contextual bandit settings, and surpassing it by 13.19% in the full RL setting.
Correction to: Multi-agent reinforcement learning for fast-timescale demand response of residential loads
Vincent Mai
Philippe Maisonneuve
Dealing With Non-stationarity in Decentralized Cooperative Multi-Agent Deep Reinforcement Learning via Multi-Timescale Learning
Towards Few-shot Coordination: Revisiting Ad-hoc Teamplay Challenge In the Game of Hanabi
Towards Few-shot Coordination: Revisiting Ad-hoc Teamplay Challenge In the Game of Hanabi
Cooperative Multi-agent Reinforcement Learning (MARL) algorithms with Zero-Shot Coordination (ZSC) have gained significant attention in rece… (see more)nt years. ZSC refers to the ability of agents to coordinate zero-shot (without additional interaction experience) with independently trained agents. While ZSC is crucial for cooperative MARL agents, it might not be possible for complex tasks and changing environments. Agents also need to adapt and improve their performance with minimal interaction with other agents. In this work, we show empirically that state-of-the-art ZSC algorithms have poor performance when paired with agents trained with different learning methods, and they require millions of interaction samples to adapt to these new partners. To investigate this issue, we formally defined a framework based on a popular cooperative multi-agent game called Hanabi to evaluate the adaptability of MARL methods. In particular, we created a diverse set of pre-trained agents and defined a new metric called adaptation regret that measures the agent's ability to efficiently adapt and improve its coordination performance when paired with some held-out pool of partners on top of its ZSC performance. After evaluating several SOTA algorithms using our framework, our experiments reveal that naive Independent Q-Learning (IQL) agents in most cases adapt as quickly as the SOTA ZSC algorithm Off-Belief Learning (OBL). This finding raises an interesting research question: How to design MARL algorithms with high ZSC performance and capability of fast adaptation to unseen partners. As a first step, we studied the role of different hyper-parameters and design choices on the adaptability of current MARL algorithms. Our experiments show that two categories of hyper-parameters controlling the training data diversity and optimization process have a significant impact on the adaptability of Hanabi agents.
DEUP: Direct Epistemic Uncertainty Prediction
Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on… (see more) using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.
Dealing With Non-stationarity in Decentralized Cooperative Multi-Agent Deep Reinforcement Learning via Multi-Timescale Learning