arXiv subjects

Vaneet Aggarwal

Publications and source records attributed to Vaneet Aggarwal.

At least 91 records · Page 5Linked to original sources

arXiv2025

Regret Analysis of Average-Reward Unichain MDPs via an Actor-Critic Approach

Actor-Critic methods are widely used for their scalability, yet existing theoretical guarantees for infinite-horizon average-reward Markov Decision Processes (MDPs) often rely on restrictive ergodicity assumptions. We propose NAC-B, a Natural Actor-Critic with Batching, that achieves order-optimal regret of $\tilde{O}(\sqrt{T})$ in infinite-horizon average-reward MDPs under the unichain assumption, which permits both transient states and periodicity. This assumption is among the weakest under which the classic policy gradient theorem remains valid for average-reward settings. NAC-B employs function approximation for both the actor and the critic, enabling scalability to problems with large state and action spaces. The use of batching in our algorithm helps mitigate potential periodicity in the MDP and reduces stochasticity in gradient estimates, and our analysis formalizes these benefits through the introduction of the constants $C_{\text{hit}}$ and $C_{\text{tar}}$, which characterize the rate at which empirical averages over Markovian samples converge to the stationary distribution.

cs.LG↗

arXiv2025

Augmenting generative models with biomedical knowledge graphs improves targeted drug discovery

Recent breakthroughs in generative modeling have demonstrated remarkable capabilities in molecular generation, yet the integration of comprehensive biomedical knowledge into these models has remained an untapped frontier. In this study, we introduce K-DREAM (Knowledge-Driven Embedding-Augmented Model), a novel framework that leverages knowledge graphs to augment diffusion-based generative models for drug discovery. By embedding structured information from large-scale knowledge graphs, K-DREAM directs molecular generation toward candidates with higher biological relevance and therapeutic suitability. This integration ensures that the generated molecules are aligned with specific therapeutic targets, moving beyond traditional heuristic-driven approaches. In targeted drug design tasks, K-DREAM generates drug candidates with improved binding affinities and predicted efficacy, surpassing current state-of-the-art generative models. It also demonstrates flexibility by producing molecules designed for multiple targets, enabling applications to complex disease mechanisms. These results highlight the utility of knowledge-enhanced generative models in rational drug design and their relevance to practical therapeutic development.

cs.LG↗

arXiv2025

Joint Optimization of Multi-Objective Reinforcement Learning with Policy Gradient Based Algorithm

Many engineering problems have multiple objectives, and the overall aim is to optimize a non-linear function of these objectives. In this paper, we formulate the problem of maximizing a non-linear concave function of multiple long-term objectives. A policy-gradient based model-free algorithm is proposed for the problem. To compute an estimate of the gradient, a biased estimator is proposed. The proposed algorithm is shown to achieve convergence to within an $ε$ of the global optima after sampling $\mathcal{O}(\frac{M^4σ^2}{(1-γ)^8ε^4})$ trajectories where $γ$ is the discount factor and $M$ is the number of the agents, thus achieving the same dependence on $ε$ as the policy gradient algorithm for the standard reinforcement learning.

cs.LG↗

arXiv2025

Alz-QNet: A Quantum Regression Network for Studying Alzheimer's Gene Interactions

Understanding the molecular-level mechanisms underpinning Alzheimer's disease (AD) by studying crucial genes associated with the disease remains a challenge. Alzheimer's, being a multifactorial disease, requires understanding the gene-gene interactions underlying it for theranostics and progress. In this article, a novel attempt has been made using a quantum regression to decode how some crucial genes in the AD Amyloid Beta Precursor Protein ($APP$), Sterol regulatory element binding transcription factor 14 ($FGF14$), Yin Yang 1 ($YY1$), and Phospholipase D Family Member 3 ($PLD3$) etc. become influenced by other prominent switching genes during disease progression, which may help in gene expression-based therapy for AD. Our proposed Quantum Regression Network (Alz-QNet) introduces a pioneering approach with insights from the state-of-the-art Quantum Gene Regulatory Networks (QGRN) to unravel the gene interactions involved in AD pathology, particularly within the Entorhinal Cortex (EC), where early pathological changes occur. Using the proposed Alz-QNet framework, we explore the interactions between key genes ($APP$, $FGF14$, $YY1$, $EGR1$, $GAS7$, $AKT3$, $SREBF2$, and $PLD3$) within the CE microenvironment of AD patients, studying genetic samples from the database $GSE138852$, all of which are believed to play a crucial role in the progression of AD. Our investigation uncovers intricate gene-gene interactions, shedding light on the potential regulatory mechanisms that underlie the pathogenesis of AD, which help us to find potential gene inhibitors or regulators for theranostics.

q-bio.MN↗

arXiv2025

Accelerating Quantum Reinforcement Learning with a Quantum Natural Policy Gradient Based Approach

We address the problem of quantum reinforcement learning (QRL) under model-free settings with quantum oracle access to the Markov Decision Process (MDP). This paper introduces a Quantum Natural Policy Gradient (QNPG) algorithm, which replaces the random sampling used in classical Natural Policy Gradient (NPG) estimators with a deterministic gradient estimation approach, enabling seamless integration into quantum systems. While this modification introduces a bounded bias in the estimator, the bias decays exponentially with increasing truncation levels. This paper demonstrates that the proposed QNPG algorithm achieves a sample complexity of $\tilde{\mathcal{O}}(ε^{-1.5})$ for queries to the quantum oracle, significantly improving the classical lower bound of $\tilde{\mathcal{O}}(ε^{-2})$ for queries to the MDP.

quant-ph↗

arXiv2025

Contrastive Cross-Modal Learning for Infusing Chest X-ray Knowledge into ECGs

Modern diagnostic workflows are increasingly multimodal, integrating diverse data sources such as medical images, structured records, and physiological time series. Among these, electrocardiograms (ECGs) and chest X-rays (CXRs) are two of the most widely used modalities for cardiac assessment. While CXRs provide rich diagnostic information, ECGs are more accessible and can support scalable early warning systems. In this work, we propose CroMoTEX, a novel contrastive learning-based framework that leverages chest X-rays during training to learn clinically informative ECG representations for multiple cardiac-related pathologies: cardiomegaly, pleural effusion, and edema. Our method aligns ECG and CXR representations using a novel supervised cross-modal contrastive objective with adaptive hard negative weighting, enabling robust and task-relevant feature learning. At test time, CroMoTEX relies solely on ECG input, allowing scalable deployment in real-world settings where CXRs may be unavailable. Evaluated on the large-scale MIMIC-IV-ECG and MIMIC-CXR datasets, CroMoTEX outperforms baselines across all three pathologies, achieving up to 78.31 AUROC on edema. Our code is available at github.com/vineetpmoorty/cromotex.

cs.LG↗

arXiv2025

Quantum Speedups in Regret Analysis of Infinite Horizon Average-Reward Markov Decision Processes

This paper investigates the potential of quantum acceleration in addressing infinite horizon Markov Decision Processes (MDPs) to enhance average reward outcomes. We introduce an innovative quantum framework for the agent's engagement with an unknown MDP, extending the conventional interaction paradigm. Our approach involves the design of an optimism-driven tabular Reinforcement Learning algorithm that harnesses quantum signals acquired by the agent through efficient quantum mean estimation techniques. Through thorough theoretical analysis, we demonstrate that the quantum advantage in mean estimation leads to exponential advancements in regret guarantees for infinite horizon Reinforcement Learning. Specifically, the proposed Quantum algorithm achieves a regret bound of $\tilde{\mathcal{O}}(1)$, a significant improvement over the $\tilde{\mathcal{O}}(\sqrt{T})$ bound exhibited by classical counterparts.

cs.LG↗

arXiv2025

On The Global Convergence Of Online RLHF With Neural Parametrization

The importance of Reinforcement Learning from Human Feedback (RLHF) in aligning large language models (LLMs) with human values cannot be overstated. RLHF is a three-stage process that includes supervised fine-tuning (SFT), reward learning, and policy learning. Although there are several offline and online approaches to aligning LLMs, they often suffer from distribution shift issues. These issues arise from the inability to accurately capture the distributional interdependence between the reward learning and policy learning stages. Consequently, this has led to various approximated approaches, but the theoretical insights and motivations remain largely limited to tabular settings, which do not hold in practice. This gap between theoretical insights and practical implementations is critical. It is challenging to address this gap as it requires analyzing the performance of AI alignment algorithms in neural network-parameterized settings. Although bi-level formulations have shown promise in addressing distribution shift issues, they suffer from the hyper-gradient problem, and current approaches lack efficient algorithms to solve this. In this work, we tackle these challenges employing the bi-level formulation laid out in Kwon et al. (2024) along with the assumption \emph{Weak Gradient Domination} to demonstrate convergence in an RLHF setup, obtaining a sample complexity of $ε^{-\frac{7}{2}}$ . Our key contributions are twofold: (i) We propose a bi-level formulation for AI alignment in parameterized settings and introduce a first-order approach to solve this problem. (ii) We analyze the theoretical convergence rates of the proposed algorithm and derive state-of-the-art bounds. To the best of our knowledge, this is the first work to establish convergence rate bounds and global optimality for the RLHF framework in neural network-parameterized settings.

cs.LG↗

arXiv2025

Order-Optimal Regret with Novel Policy Gradient Approaches in Infinite-Horizon Average Reward MDPs

We present two Policy Gradient-based algorithms with general parametrization in the context of infinite-horizon average reward Markov Decision Process (MDP). The first one employs Implicit Gradient Transport for variance reduction, ensuring an expected regret of the order $\tilde{\mathcal{O}}(T^{2/3})$. The second approach, rooted in Hessian-based techniques, ensures an expected regret of the order $\tilde{\mathcal{O}}(\sqrt{T})$. These results significantly improve the state-of-the-art $\tilde{\mathcal{O}}(T^{3/4})$ regret and achieve the theoretical lower bound. We also show that the average-reward function is approximately $L$-smooth, a result that was previously assumed in earlier works.

cs.LG↗

arXiv2025

A Sharper Global Convergence Analysis for Average Reward Reinforcement Learning via an Actor-Critic Approach

This work examines average-reward reinforcement learning with general policy parametrization. Existing state-of-the-art (SOTA) guarantees for this problem are either suboptimal or hindered by several challenges, including poor scalability with respect to the size of the state-action space, high iteration complexity, and dependence on knowledge of mixing times and hitting times. To address these limitations, we propose a Multi-level Monte Carlo-based Natural Actor-Critic (MLMC-NAC) algorithm. Our work is the first to achieve a global convergence rate of $\tilde{\mathcal{O}}(1/\sqrt{T})$ for average-reward Markov Decision Processes (MDPs) (where $T$ is the horizon length), without requiring the knowledge of mixing and hitting times. Moreover, the convergence rate does not scale with the size of the state space, therefore even being applicable to infinite state spaces.

cs.LG↗

arXiv2025

Variational Offline Multi-agent Skill Discovery

Skills are effective temporal abstractions established for sequential decision making, which enable efficient hierarchical learning for long-horizon tasks and facilitate multi-task learning through their transferability. Despite extensive research, research gaps remain in multi-agent scenarios, particularly for automatically extracting subgroup coordination patterns in a multi-agent task. In this case, we propose two novel auto-encoder schemes: VO-MASD-3D and VO-MASD-Hier, to simultaneously capture subgroup- and temporal-level abstractions and form multi-agent skills, which firstly solves the aforementioned challenge. An essential algorithm component of these schemes is a dynamic grouping function that can automatically detect latent subgroups based on agent interactions in a task. Further, our method can be applied to offline multi-task data, and the discovered subgroup skills can be transferred across relevant tasks without retraining. Empirical evaluations on StarCraft tasks indicate that our approach significantly outperforms existing hierarchical multi-agent reinforcement learning (MARL) methods. Moreover, skills discovered using our method can effectively reduce the learning difficulty in MARL scenarios with delayed and sparse reward signals. The codebase is available at https://github.com/LucasCJYSDL/VOMASD.

cs.LG↗

arXiv2025

Rack Position Optimization in Large-Scale Heterogeneous Data Centers

As rapidly growing AI computational demands accelerate the need for new hardware installation and maintenance, this work explores optimal data center resource management by balancing operational efficiency with fault tolerance through strategic rack positioning considering diverse resources and locations. Traditional mixed-integer programming (MIP) approaches often struggle with scalability, while heuristic methods may result in significant sub-optimality. To address these issues, this paper presents a novel two-tier optimization framework using a high-level deep reinforcement learning (DRL) model to guide a low-level gradient-based heuristic for local search. The high-level DRL agent employs Leader Reward for optimal rack type ordering, and the low-level heuristic efficiently maps racks to positions, minimizing movement counts and ensuring fault-tolerant resource distribution. This approach allows scalability to over 100,000 positions and 100 rack types. Our method outperformed the gradient-based heuristic by 7\% on average and the MIP solver by over 30\% in objective value. It achieved a 100\% success rate versus MIP's 97.5\% (within a 20-minute limit), completing in just 2 minutes compared to MIP's 1630 minutes (i.e., almost 4 orders of magnitude improvement). Unlike the MIP solver, which showed performance variability under time constraints and high penalties, our algorithm consistently delivered stable, efficient results - an essential feature for large-scale data center management.

cs.AI↗

arXiv2025

Every Call is Precious: Global Optimization of Black-Box Functions with Unknown Lipschitz Constants

Optimizing expensive, non-convex, black-box Lipschitz continuous functions presents significant challenges, particularly when the Lipschitz constant of the underlying function is unknown. Such problems often demand numerous function evaluations to approximate the global optimum, which can be prohibitive in terms of time, energy, or resources. In this work, we introduce Every Call is Precious (ECP), a novel global optimization algorithm that minimizes unpromising evaluations by strategically focusing on potentially optimal regions. Unlike previous approaches, ECP eliminates the need to estimate the Lipschitz constant, thereby avoiding additional function evaluations. ECP guarantees no-regret performance for infinite evaluation budgets and achieves minimax-optimal regret bounds within finite budgets. Extensive ablation studies validate the algorithm's robustness, while empirical evaluations show that ECP outperforms 10 benchmark algorithms including Lipschitz, Bayesian, bandits, and evolutionary methods across 30 multi-dimensional non-convex synthetic and real-world optimization problems, which positions ECP as a competitive approach for global optimization.

cs.LG↗

arXiv2025

Asynchronous Federated Reinforcement Learning with Policy Gradient Updates: Algorithm Design and Convergence Analysis

To improve the efficiency of reinforcement learning (RL), we propose a novel asynchronous federated reinforcement learning (FedRL) framework termed AFedPG, which constructs a global model through collaboration among $N$ agents using policy gradient (PG) updates. To address the challenge of lagged policies in asynchronous settings, we design a delay-adaptive lookahead technique \textit{specifically for FedRL} that can effectively handle heterogeneous arrival times of policy gradients. We analyze the theoretical global convergence bound of AFedPG, and characterize the advantage of the proposed algorithm in terms of both the sample complexity and time complexity. Specifically, our AFedPG method achieves $O(\frac{ε^{-2.5}}{N})$ sample complexity for global convergence at each agent on average. Compared to the single agent setting with $O(ε^{-2.5})$ sample complexity, it enjoys a linear speedup with respect to the number of agents. Moreover, compared to synchronous FedPG, AFedPG improves the time complexity from $O(\frac{t_{\max}}{N})$ to $O({\sum_{i=1}^{N} \frac{1}{t_{i}}})^{-1}$, where $t_{i}$ denotes the time consumption in each iteration at agent $i$, and $t_{\max}$ is the largest one. The latter complexity $O({\sum_{i=1}^{N} \frac{1}{t_{i}}})^{-1}$ is always smaller than the former one, and this improvement becomes significant in large-scale federated settings with heterogeneous computing powers ($t_{\max}\gg t_{\min}$). Finally, we empirically verify the improved performance of AFedPG in four widely used MuJoCo environments with varying numbers of agents. We also demonstrate the advantages of AFedPG in various computing heterogeneity scenarios.

cs.LG↗

arXiv2025

Stochastic Submodular Bandits with Delayed Composite Anonymous Bandit Feedback

This paper investigates the problem of combinatorial multiarmed bandits with stochastic submodular (in expectation) rewards and full-bandit delayed feedback, where the delayed feedback is assumed to be composite and anonymous. In other words, the delayed feedback is composed of components of rewards from past actions, with unknown division among the sub-components. Three models of delayed feedback: bounded adversarial, stochastic independent, and stochastic conditionally independent are studied, and regret bounds are derived for each of the delay models. Ignoring the problem dependent parameters, we show that regret bound for all the delay models is $\tilde{O}(T^{2/3} + T^{1/3} ν)$ for time horizon $T$, where $ν$ is a delay parameter defined differently in the three cases, thus demonstrating an additive term in regret with delay in all the three delay models. The considered algorithm is demonstrated to outperform other full-bandit approaches with delayed composite anonymous feedback.

cs.LG↗

arXiv2025

Q-GADMM: Quantized Group ADMM for Communication Efficient Decentralized Machine Learning

In this article, we propose a communication-efficient decentralized machine learning (ML) algorithm, coined quantized group ADMM (Q-GADMM). To reduce the number of communication links, every worker in Q-GADMM communicates only with two neighbors, while updating its model via the group alternating direction method of multipliers (GADMM). Moreover, each worker transmits the quantized difference between its current model and its previously quantized model, thereby decreasing the communication payload size. However, due to the lack of centralized entity in decentralized ML, the spatial sparsity and payload compression may incur error propagation, hindering model training convergence. To overcome this, we develop a novel stochastic quantization method to adaptively adjust model quantization levels and their probabilities, while proving the convergence of Q-GADMM for convex objective functions. Furthermore, to demonstrate the feasibility of Q-GADMM for non-convex and stochastic problems, we propose quantized stochastic GADMM (Q-SGADMM) that incorporates deep neural network architectures and stochastic sampling. Simulation results corroborate that Q-GADMM significantly outperforms GADMM in terms of communication efficiency while achieving the same accuracy and convergence speed for a linear regression task. Similarly, for an image classification task using DNN, Q-SGADMM achieves significantly less total communication cost with identical accuracy and convergence speed compared to its counterpart without quantization, i.e., stochastic GADMM (SGADMM).

cs.LG↗

arXiv2025

Network Diffuser for Placing-Scheduling Service Function Chains with Inverse Demonstration

Network services are increasingly managed by considering chained-up virtual network functions and relevant traffic flows, known as the Service Function Chains (SFCs). To deal with sequential arrivals of SFCs in an online fashion, we must consider two closely-coupled problems - an SFC placement problem that maps SFCs to servers/links in the network and an SFC scheduling problem that determines when each SFC is executed. Solving the whole SFC problem targeting these two optimizations jointly is extremely challenging. In this paper, we propose a novel network diffuser using conditional generative modeling for this SFC placing-scheduling optimization. Recent advances in generative AI and diffusion models have made it possible to generate high-quality images/videos and decision trajectories from language description. We formulate the SFC optimization as a problem of generating a state sequence for planning and perform graph diffusion on the state trajectories to enable extraction of SFC decisions, with SFC optimization constraints and objectives as conditions. To address the lack of demonstration data due to NP-hardness and exponential problem space of the SFC optimization, we also propose a novel and somewhat maverick approach -- Rather than solving instances of this difficult optimization, we start with randomly-generated solutions as input, and then determine appropriate SFC optimization problems that render these solutions feasible. This inverse demonstration enables us to obtain sufficient expert demonstrations, i.e., problem-solution pairs, through further optimization. In our numerical evaluations, the proposed network diffuser outperforms learning and heuristic baselines, by $\sim$20\% improvement in SFC reward and $\sim$50\% reduction in SFC waiting time and blocking rate.

cs.NI↗

arXiv2025

Align-Pro: A Principled Approach to Prompt Optimization for LLM Alignment

The alignment of large language models (LLMs) with human values is critical as these models become increasingly integrated into various societal and decision-making processes. Traditional methods, such as reinforcement learning from human feedback (RLHF), achieve alignment by fine-tuning model parameters, but these approaches are often computationally expensive and impractical when models are frozen or inaccessible for parameter modification. In contrast, prompt optimization is a viable alternative to RLHF for LLM alignment. While the existing literature has shown empirical promise of prompt optimization, its theoretical underpinning remains under-explored. We address this gap by formulating prompt optimization as an optimization problem and try to provide theoretical insights into the optimality of such a framework. To analyze the performance of the prompt optimization, we study theoretical suboptimality bounds and provide insights in terms of how prompt optimization depends upon the given prompter and target model. We also provide empirical validation through experiments on various datasets, demonstrating that prompt optimization can effectively align LLMs, even when parameter fine-tuning is not feasible.

cs.LG↗