Recent advances in language models have enabled framing molecule generation as sequence modeling. However, existing approaches often rely on single-objective reinforcement learning, limiting their applicability to real-world drug design, where multiple competing properties must be optimized. Traditional multi-objective reinforcement learning (MORL) methods require costly retraining for each new objective combination, making rapid exploration of trade-offs impractical. To overcome these limitations, we introduce Mol-MoE, a mixture-of-experts (MoE) architecture that enables efficient test-time steering of molecule generation without retraining. Central to our approach is a preference-based router training objective that incentivizes the router to combine experts in a way that aligns with user-specified trade-offs. This provides improved flexibility in exploring the chemical property space at test time, facilitating rapid trade-off exploration. Benchmarking against state-of-the-art methods, we show that Mol-MoE achieves superior sample quality and steerability.
Multi-objective reinforcement learning (MORL) addresses the challenge of simultaneously optimizing multiple, often conflicting, rewards, moving beyond the single-reward focus of conventional reinforcement learning (RL). This approach is essential for applications where agents must balance trade-offs between diverse goals, such as speed, energy efficiency, or stability, as a series of sequential decisions. This paper investigates the applicability and limitations of multi-objective evolutionary algorithms (MOEAs) in solving complex MORL problems. We assess whether these algorithms can effectively address the unique challenges posed by MORL and how MORL instances can serve as benchmarks to evaluate and improve MOEA performance. In particular, we propose a framework to characterize the features influencing MORL instance complexity, select representative MORL problems from the literature, and benchmark a suite of MOEAs alongside single-objective EAs using scalarized MORL formulations. Additionally, we evaluate the utility of existing multi-objective quality indicators in MORL scenarios, such as hypervolume conducting a comparison of the algorithms supported by statistical analysis. Our findings provide insights into the interplay between MORL problem characteristics and algorithmic effectiveness, highlighting opportunities for advancing both MORL research and the design of evolutionary algorithms.
Despite the superior diagnostic capability of Magnetic Resonance Imaging (MRI), its use as a Point-of-Care (PoC) device remains limited by high cost and complexity. To enable such a future by reducing the magnetic field strength, one key approach will be to improve sampling strategies. Previous work has shown that it is possible to make diagnostic decisions directly from k-space with fewer samples. Such work shows that single diagnostic decisions can be made, but if we aspire to see MRI as a true PoC, multiple and sequential decisions are necessary while minimizing the number of samples acquired. We present a novel multi-objective reinforcement learning framework enabling comprehensive, sequential, diagnostic evaluation from undersampled k-space data. Our approach during inference actively adapts to sequential decisions to optimally sample. To achieve this, we introduce a training methodology that identifies the samples that contribute the best to each diagnostic objective using a step-wise weighting reward function. We evaluate our approach in two sequential knee pathology assessment tasks: ACL sprain detection and cartilage thickness loss assessment. Our framework achieves diagnostic performance competitive with various policy-based benchmarks on disease detection, severity quantification, and overall sequential diagnosis, while substantially saving k-space samples. Our approach paves the way for the future of MRI as a comprehensive and affordable PoC device. Our code is publicly available at https://github.com/vios-s/MRI_Sequential_Active_Sampling
Recent advances in reinforcement learning (RL) for large language model (LLM) fine-tuning show promise in addressing multi-objective tasks but still face significant challenges, including complex objective balancing, low training efficiency, poor scalability, and limited explainability. Leveraging ensemble learning principles, we introduce an Ensemble Multi-Objective RL (EMORL) framework that fine-tunes multiple models with individual objectives while optimizing their aggregation after the training to improve efficiency and flexibility. Our method is the first to aggregate the last hidden states of individual models, incorporating contextual information from multiple objectives. This approach is supported by a hierarchical grid search algorithm that identifies optimal weighted combinations. We evaluate EMORL on counselor reflection generation tasks, using text-scoring LLMs to evaluate the generations and provide rewards during RL fine-tuning. Through comprehensive experiments on the PAIR and Psych8k datasets, we demonstrate the advantages of EMORL against existing baselines: significantly lower and more stable training consumption ($17,529\pm 1,650$ data points and $6,573\pm 147.43$ seconds), improved scalability and explainability, and comparable performance across multiple objectives.
Real-world sequential decision-making tasks often require balancing trade-offs between multiple conflicting objectives, making Multi-Objective Reinforcement Learning (MORL) an increasingly prominent field of research. Despite recent advances, existing MORL literature has narrowly focused on performance within static environments, neglecting the importance of generalizing across diverse settings. Conversely, existing research on generalization in RL has always assumed scalar rewards, overlooking the inherent multi-objectivity of real-world problems. Generalization in the multi-objective context is fundamentally more challenging, as it requires learning a Pareto set of policies addressing varying preferences across multiple objectives. In this paper, we formalize the concept of generalization in MORL and how it can be evaluated. We then contribute a novel benchmark featuring diverse multi-objective domains with parameterized environment configurations to facilitate future studies in this area. Our baseline evaluations of state-of-the-art MORL algorithms on this benchmark reveals limited generalization capabilities, suggesting significant room for improvement. Our empirical findings also expose limitations in the expressivity of scalar rewards, emphasizing the need for multi-objective specifications to achieve effective generalization. We further analyzed the algorithmic complexities within current MORL approaches that could impede the transfer in performance from the single- to multiple-environment settings. This work fills a critical gap and lays the groundwork for future research that brings together two key areas in reinforcement learning: solving multi-objective decision-making problems and generalizing across diverse environments. We make our code available at https://github.com/JaydenTeoh/MORL-Generalization.
Transmission grid congestion increases as the electrification of various sectors requires transmitting more power. Topology control, through substation reconfiguration, can reduce congestion but its potential remains under-exploited in operations. A challenge is modeling the topology control problem to align well with the objectives and constraints of operators. Addressing this challenge, this paper investigates the application of multi-objective reinforcement learning (MORL) to integrate multiple conflicting objectives for power grid topology control. We develop a MORL approach using deep optimistic linear support (DOL) and multi-objective proximal policy optimization (MOPPO) to generate a set of Pareto-optimal policies that balance objectives such as minimizing line loading, topological deviation, and switching frequency. Initial case studies show that the MORL approach can provide valuable insights into objective trade-offs and improve Pareto front approximation compared to a random search baseline. The generated multi-objective RL policies are 30% more successful in preventing grid failure under contingencies and 20% more effective when training budget is reduced - compared to the common single objective RL policy.
Multi-objective optimization (MOO) lies at the core of many machine learning (ML) applications that involve multiple, potentially conflicting objectives (e.g., multi-task learning, multi-objective reinforcement learning, among many others). Despite the long history of MOO, recent years have witnessed a surge in interest within the ML community in the development of gradient manipulation algorithms for MOO, thanks to the availability of gradient information in many ML problems. However, existing gradient manipulation methods for MOO often suffer from long training times, primarily due to the need for computing dynamic weights by solving an additional optimization problem to determine a common descent direction that can decrease all objectives simultaneously. To address this challenge, we propose a new and efficient algorithm called Periodic Stochastic Multi-Gradient Descent (PSMGD) to accelerate MOO. PSMGD is motivated by the key observation that dynamic weights across objectives exhibit small changes under minor updates over short intervals during the optimization process. Consequently, our PSMGD algorithm is designed to periodically compute these dynamic weights and utilizes them repeatedly, thereby effectively reducing the computational overload. Theoretically, we prove that PSMGD can achieve state-of-the-art convergence rates for strongly-convex, general convex, and non-convex functions. Additionally, we introduce a new computational complexity measure, termed backpropagation complexity, and demonstrate that PSMGD could achieve an objective-independent backpropagation complexity. Through extensive experiments, we verify that PSMGD can provide comparable or superior performance to state-of-the-art MOO algorithms while significantly reducing training time.
Multi-Objective Reinforcement Learning (MORL) aims to learn a set of policies that optimize trade-offs between multiple, often conflicting objectives. MORL is computationally more complex than single-objective RL, particularly as the number of objectives increases. Additionally, when objectives involve the preferences of agents or groups, ensuring fairness is socially desirable. This paper introduces a principled algorithm that incorporates fairness into MORL while improving scalability to many-objective problems. We propose using Lorenz dominance to identify policies with equitable reward distributions and introduce {\lambda}-Lorenz dominance to enable flexible fairness preferences. We release a new, large-scale real-world transport planning environment and demonstrate that our method encourages the discovery of fair policies, showing improved scalability in two large cities (Xi'an and Amsterdam). Our methods outperform common multi-objective approaches, particularly in high-dimensional objective spaces.
Multi-objective reinforcement learning (MORL) is used to solve problems involving multiple objectives. An MORL agent must make decisions based on the diverse signals provided by distinct reward functions. Training an MORL agent yields a set of solutions (policies), each presenting distinct trade-offs among the objectives (expected returns). MORL enhances explainability by enabling fine-grained comparisons of policies in the solution set based on their trade-offs as opposed to having a single policy. However, the solution set is typically large and multi-dimensional, where each policy (e.g., a neural network) is represented by its objective values. We propose an approach for clustering the solution set generated by MORL. By considering both policy behavior and objective values, our clustering method can reveal the relationship between policy behaviors and regions in the objective space. This approach can enable decision makers (DMs) to identify overarching trends and insights in the solution set rather than examining each policy individually. We tested our method in four multi-objective environments and found it outperformed traditional k-medoids clustering. Additionally, we include a case study that demonstrates its real-world application.
Multi-objective reinforcement learning (MORL) excels at handling rapidly changing preferences in tasks that involve multiple criteria, even for unseen preferences. However, previous dominating MORL methods typically generate a fixed policy set or preference-conditioned policy through multiple training iterations exclusively for sampled preference vectors, and cannot ensure the efficient discovery of the Pareto front. Furthermore, integrating preferences into the input of policy or value functions presents scalability challenges, in particular as the dimension of the state and preference space grow, which can complicate the learning process and hinder the algorithm's performance on more complex tasks. To address these issues, we propose a two-stage Pareto front discovery algorithm called Constrained MORL (C-MORL), which serves as a seamless bridge between constrained policy optimization and MORL. Concretely, a set of policies is trained in parallel in the initialization stage, with each optimized towards its individual preference over the multiple objectives. Then, to fill the remaining vacancies in the Pareto front, the constrained optimization steps are employed to maximize one objective while constraining the other objectives to exceed a predefined threshold. Empirically, compared to recent advancements in MORL methods, our algorithm achieves more consistent and superior performances in terms of hypervolume, expected utility, and sparsity on both discrete and continuous control tasks, especially with numerous objectives (up to nine objectives in our experiments).
Many decision-making problems feature multiple objectives where it is not always possible to know the preferences of a human or agent decision-maker for different objectives. However, demonstrated behaviors from the decision-maker are often available. This research proposes a dynamic weight-based preference inference (DWPI) algorithm that can infer the preferences of agents acting in multi-objective decision-making problems from demonstrations. The proposed algorithm is evaluated on three multi-objective Markov decision processes: Deep Sea Treasure, Traffic, and Item Gathering, and is compared to two existing preference inference algorithms. Empirical results demonstrate significant improvements compared to the baseline algorithms, in terms of both time efficiency and inference accuracy. The DWPI algorithm maintains its performance when inferring preferences for sub-optimal demonstrations. Moreover, the DWPI algorithm does not necessitate any interactions with the user during inference - only demonstrations are required. We provide a correctness proof and complexity analysis of the algorithm and statistically evaluate the performance under different representation of demonstrations.
As the complexity of tasks addressed through reinforcement learning (RL) increases, the definition of reward functions also has become highly complicated. We introduce an RL method aimed at simplifying the reward-shaping process through intuitive strategies. Initially, instead of a single reward function composed of various terms, we define multiple reward and cost functions within a constrained multi-objective RL (CMORL) framework. For tasks involving sequential complex movements, we segment the task into distinct stages and define multiple rewards and costs for each stage. Finally, we introduce a practical CMORL algorithm that maximizes objectives based on these rewards while satisfying constraints defined by the costs. The proposed method has been successfully demonstrated across a variety of acrobatic tasks in both simulation and real-world environments. Additionally, it has been shown to successfully perform tasks compared to existing RL and constrained RL algorithms. Our code is available at https://github.com/rllab-snu/Stage-Wise-CMORL.
For a control problem with multiple conflicting objectives, there exists a set of Pareto-optimal policies called the Pareto set instead of a single optimal policy. When a multi-objective control problem is continuous and complex, traditional multi-objective reinforcement learning (MORL) algorithms search for many Pareto-optimal deep policies to approximate the Pareto set, which is quite resource-consuming. In this paper, we propose a simple and resource-efficient MORL algorithm that learns a continuous representation of the Pareto set in a high-dimensional policy parameter space using a single hypernet. The learned hypernet can directly generate various well-trained policy networks for different user preferences. We compare our method with two state-of-the-art MORL algorithms on seven multi-objective continuous robot control problems. Experimental results show that our method achieves the best overall performance with the least training parameters. An interesting observation is that the Pareto set is well approximated by a curved line or surface in a high-dimensional parameter space. This observation will provide insight for researchers to design new MORL algorithms.
In this paper, we consider multi-objective reinforcement learning, which arises in many real-world problems with multiple optimization goals. We approach the problem with a max-min framework focusing on fairness among the multiple goals and develop a relevant theory and a practical model-free algorithm under the max-min framework. The developed theory provides a theoretical advance in multi-objective reinforcement learning, and the proposed algorithm demonstrates a notable performance improvement over existing baseline methods.
This paper presents Multi-Objective Reinforcement Learning from AI Feedback (MORLAIF), a novel approach to improving the alignment and performance of language models trained using reinforcement learning from AI feedback (RLAIF). In contrast to standard approaches that train a single preference model to represent all human preferences, MORLAIF decomposes this task into multiple simpler principles, such as toxicity, factuality, and sycophancy. Separate preference models are trained for each principle using feedback from GPT-3.5-Turbo. These preference model scores are then combined using different scalarization functions to provide a reward signal for Proximal Policy Optimization (PPO) training of the target language model. Our experiments indicate that MORLAIF outperforms the standard RLAIF baselines and that MORLAIF can be used to align larger language models using smaller ones. Surprisingly, the choice of scalarization function does not appear to significantly impact the results.
In this paper, we introduce Multi-Objective Deep Centralized Multi-Agent Actor-Critic (MO- DCMAC), a multi-objective reinforcement learning (MORL) method for infrastructural maintenance optimization, an area traditionally dominated by single-objective reinforcement learning (RL) approaches. Previous single-objective RL methods combine multiple objectives, such as probability of collapse and cost, into a singular reward signal through reward-shaping. In contrast, MO-DCMAC can optimize a policy for multiple objectives directly, even when the utility function is non-linear. We evaluated MO-DCMAC using two utility functions, which use probability of collapse and cost as input. The first utility function is the Threshold utility, in which MO-DCMAC should minimize cost so that the probability of collapse is never above the threshold. The second is based on the Failure Mode, Effects, and Criticality Analysis (FMECA) methodology used by asset managers to asses maintenance plans. We evaluated MO-DCMAC, with both utility functions, in multiple maintenance environments, including ones based on a case study of the historical quay walls of Amsterdam. The performance of MO-DCMAC was compared against multiple rule-based policies based on heuristics currently used for constructing maintenance plans. Our results demonstrate that MO-DCMAC outperforms traditional rule-based policies across various environments and utility functions.
Accuracy and timeliness are indeed often conflicting goals in prediction tasks. Premature predictions may yield a higher rate of false alarms, whereas delaying predictions to gather more information can render them too late to be useful. In applications such as wildfires, crimes, and traffic jams, timely forecasting are vital for safeguarding human life and property. Consequently, finding a balance between accuracy and timeliness is crucial. In this paper, we propose an early spatio-temporal forecasting model based on Multi-Objective reinforcement learning that can either implement an optimal policy given a preference or infer the preference based on a small number of samples. The model addresses two primary challenges: 1) enhancing the accuracy of early forecasting and 2) providing the optimal policy for determining the most suitable prediction time for each area. Our method demonstrates superior performance on three large-scale real-world datasets, surpassing existing methods in early spatio-temporal forecasting tasks.
In numerous reinforcement learning (RL) problems involving safety-critical systems, a key challenge lies in balancing multiple objectives while simultaneously meeting all stringent safety constraints. To tackle this issue, we propose a primal-based framework that orchestrates policy optimization between multi-objective learning and constraint adherence. Our method employs a novel natural policy gradient manipulation method to optimize multiple RL objectives and overcome conflicting gradients between different tasks, since the simple weighted average gradient direction may not be beneficial for specific tasks' performance due to misaligned gradients of different task objectives. When there is a violation of a hard constraint, our algorithm steps in to rectify the policy to minimize this violation. We establish theoretical convergence and constraint violation guarantees in a tabular setting. Empirically, our proposed method also outperforms prior state-of-the-art methods on challenging safe multi-objective reinforcement learning tasks.
In Multi-objective Reinforcement Learning (MORL) agents are tasked with optimising decision-making behaviours that trade-off between multiple, possibly conflicting, objectives. MORL based on decomposition is a family of solution methods that employ a number of utility functions to decompose the multi-objective problem into individual single-objective problems solved simultaneously in order to approximate a Pareto front of policies. We focus on the case of linear utility functions parameterised by weight vectors w. We introduce a method based on Upper Confidence Bound to efficiently search for the most promising weight vectors during different stages of the learning process, with the aim of maximising the hypervolume of the resulting Pareto front. The proposed method is shown to outperform various MORL baselines on Mujoco benchmark problems across different random seeds. The code is online at: https://github.com/SYCAMORE-1/ucb-MOPPO.
Textual style expresses a diverse set of information, including interpersonal dynamics (e.g., formality) and the author's emotions or attitudes (e.g., disgust). An open question is how language models can be explicitly controlled so that they weave together target styles when generating text: for example, to produce text that is both negative and non-toxic. One approach to such controlled generation is multi-objective reinforcement learning (RL), but how best to combine multiple objectives in a reward function is an open question. In this paper, we investigate various formulations of multi-style rewards, including calibrated outputs from discriminators and dynamic weighting by discriminator gradient magnitudes. We find that our proposed dynamic weighting outperforms static weighting approaches with respect to style control while maintaining linguistic quality, and we explore its effectiveness in 2- and 3-style control.