arXiv subjects

Mirco Musolesi

Publications and source records attributed to Mirco Musolesi.

At least 37 records · Page 2Linked to original sources

arXiv2025

Partial Information Decomposition for Data Interpretability and Feature Selection

In this paper, we introduce Partial Information Decomposition of Features (PIDF), a new paradigm for simultaneous data interpretability and feature selection. Contrary to traditional methods that assign a single importance value, our approach is based on three metrics per feature: the mutual information shared with the target variable, the feature's contribution to synergistic information, and the amount of this information that is redundant. In particular, we develop a novel procedure based on these three metrics, which reveals not only how features are correlated with the target but also the additional and overlapping information provided by considering them in combination with other features. We extensively evaluate PIDF using both synthetic and real-world data, demonstrating its potential applications and effectiveness, by considering case studies from genetics and neuroscience.

cs.LG↗

arXiv2025

Opponent Shaping in LLM Agents

Large Language Models (LLMs) are increasingly being deployed as autonomous agents in real-world environments. As these deployments scale, multi-agent interactions become inevitable, making it essential to understand strategic behavior in such systems. A central open question is whether LLM agents, like reinforcement learning agents, can shape the learning dynamics and influence the behavior of others through interaction alone. In this paper, we present the first investigation of opponent shaping (OS) with LLM-based agents. Existing OS algorithms cannot be directly applied to LLMs, as they require higher-order derivatives, face scalability constraints, or depend on architectural components that are absent in transformers. To address this gap, we introduce ShapeLLM, an adaptation of model-free OS methods tailored for transformer-based agents. Using ShapeLLM, we examine whether LLM agents can influence co-players' learning dynamics across diverse game-theoretic environments. We demonstrate that LLM agents can successfully guide opponents toward exploitable equilibria in competitive games (Iterated Prisoner's Dilemma, Matching Pennies, and Chicken) and promote coordination and improve collective welfare in cooperative games (Iterated Stag Hunt and a cooperative version of the Prisoner's Dilemma). Our findings show that LLM agents can both shape and be shaped through interaction, establishing opponent shaping as a key dimension of multi-agent LLM research.

cs.LG↗

arXiv2025

Reward Model Overoptimisation in Iterated RLHF

Reinforcement learning from human feedback (RLHF) is a widely used method for aligning large language models with human preferences. However, RLHF often suffers from reward model overoptimisation, in which models overfit to the reward function, resulting in non-generalisable policies that exploit the idiosyncrasies and peculiarities of the reward function. A common mitigation is iterated RLHF, in which reward models are repeatedly retrained with updated human feedback and policies are re-optimised. Despite its increasing adoption, the dynamics of overoptimisation in this setting remain poorly understood. In this work, we present the first comprehensive study of overoptimisation in iterated RLHF. We systematically analyse key design choices - how reward model training data is transferred across iterations, which reward function is used for optimisation, and how policies are initialised. Using the controlled AlpacaFarm benchmark, we observe that overoptimisation tends to decrease over successive iterations, as reward models increasingly approximate ground-truth preferences. However, performance gains diminish over time, and while reinitialising from the base policy is robust, it limits optimisation flexibility. Other initialisation strategies often fail to recover from early overoptimisation. These findings offer actionable insights for building more stable and generalisable RLHF pipelines.

cs.LG↗

arXiv2025

(Ir)rationality in AI: State of the Art, Research Challenges and Open Questions

The concept of rationality is central to the field of artificial intelligence (AI). Whether we are seeking to simulate human reasoning, or trying to achieve bounded optimality, our goal is generally to make artificial agents as rational as possible. Despite the centrality of the concept within AI, there is no unified definition of what constitutes a rational agent. This article provides a survey of rationality and irrationality in AI, and sets out the open questions in this area. We consider how the understanding of rationality in other fields has influenced its conception within AI, in particular work in economics, philosophy and psychology. Focusing on the behaviour of artificial agents, we examine irrational behaviours that can prove to be optimal in certain scenarios. Some methods have been developed to deal with irrational agents, both in terms of identification and interaction, however work in this area remains limited. Methods that have up to now been developed for other purposes, namely adversarial scenarios, may be adapted to suit interactions with artificial agents. We further discuss the interplay between human and artificial agents, and the role that rationality plays within this interaction; many questions remain in this area, relating to potentially irrational behaviour of both humans and artificial agents.

cs.AI↗

arXiv2025

Moral Alignment for LLM Agents

Decision-making agents based on pre-trained Large Language Models (LLMs) are increasingly being deployed across various domains of human activity. While their applications are currently rather specialized, several research efforts are underway to develop more generalist agents. As LLM-based systems become more agentic, their influence on human activity will grow and their transparency will decrease. Consequently, developing effective methods for aligning them to human values is vital. The prevailing practice in alignment often relies on human preference data (e.g., in RLHF or DPO), in which values are implicit, opaque and are essentially deduced from relative preferences over different model outputs. In this work, instead of relying on human feedback, we introduce the design of reward functions that explicitly and transparently encode core human values for Reinforcement Learning-based fine-tuning of foundation agent models. Specifically, we use intrinsic rewards for the moral alignment of LLM agents. We evaluate our approach using the traditional philosophical frameworks of Deontological Ethics and Utilitarianism, quantifying moral rewards for agents in terms of actions and consequences on the Iterated Prisoner's Dilemma (IPD) environment. We also show how moral fine-tuning can be deployed to enable an agent to unlearn a previously developed selfish strategy. Finally, we find that certain moral strategies learned on the IPD game generalize to several other matrix game environments. In summary, we demonstrate that fine-tuning with intrinsic rewards is a promising general solution for aligning LLM agents to human values, and it might represent a more transparent and cost-effective alternative to currently predominant alignment techniques.

cs.LG↗

arXiv2025

Quantum Chemistry Driven Molecular Inverse Design with Data-free Reinforcement Learning

The inverse design of molecules has challenged chemists for decades. In the past years, machine learning and artificial intelligence have emerged as new tools to generate molecules tailoring desired properties, but with the limit of relying on models that are pretrained on large datasets. Here, we present a data-free generative model based on reinforcement learning and quantum mechanics calculations. To improve the generation, our software is based on a five-model reinforcement learning algorithm designed to mimic the syntactic rules of an original ASCII encoding based on the SMILES one, and here reported. The reinforcement learning generator is rewarded by on-the-fly quantum mechanics calculations within a computational routine addressing conformational sampling. We demonstrate that our software successfully generates new molecules with desired properties finding optimal solutions for problems with known solutions and (sub)optimal molecules for unexplored chemical (sub)spaces, jointly showing significant speed-up to a reference baseline.

physics.chem-ph↗

arXiv2025

Training Foundation Models as Data Compression: On Information, Model Weights and Copyright Law

The training process of foundation models as for other classes of deep learning systems is based on minimizing the reconstruction error over a training set. For this reason, they are susceptible to the memorization and subsequent reproduction of training samples. In this paper, we introduce a training-as-compressing perspective, wherein the model's weights embody a compressed representation of the training data. From a copyright standpoint, this point of view implies that the weights can be considered a reproduction or, more likely, a derivative work of a potentially protected set of works. We investigate the technical and legal challenges that emerge from this framing of the copyright of outputs generated by foundation models, including their implications for practitioners and researchers. We demonstrate that adopting an information-centric approach to the problem presents a promising pathway for tackling these emerging complex legal issues.

cs.CY↗

arXiv2025

On the Creativity of Large Language Models

Large Language Models (LLMs) are revolutionizing several areas of Artificial Intelligence. One of the most remarkable applications is creative writing, e.g., poetry or storytelling: the generated outputs are often of astonishing quality. However, a natural question arises: can LLMs be really considered creative? In this article, we first analyze the development of LLMs under the lens of creativity theories, investigating the key open questions and challenges. In particular, we focus our discussion on the dimensions of value, novelty, and surprise as proposed by Margaret Boden in her work. Then, we consider different classic perspectives, namely product, process, press, and person. We discuss a set of ``easy'' and ``hard'' problems in machine creativity, presenting them in relation to LLMs. Finally, we examine the societal impact of these technologies with a particular focus on the creative industries, analyzing the opportunities offered, the challenges arising from them, and the potential associated risks, from both legal and ethical points of view.

cs.AI↗

arXiv2025

Copyright in Generative Deep Learning

Machine-generated artworks are now part of the contemporary art scene: they are attracting significant investments and they are presented in exhibitions together with those created by human artists. These artworks are mainly based on generative deep learning techniques, which have seen a formidable development and remarkable refinement in the very recent years. Given the inherent characteristics of these techniques, a series of novel legal problems arise. In this article, we consider a set of key questions in the area of generative deep learning for the arts, including the following: is it possible to use copyrighted works as training set for generative models? How do we legally store their copies in order to perform the training process? Who (if someone) will own the copyright on the generated data? We try to answer these questions considering the law in force in both the United States of America and the European Union, and potential future alternatives. We then extend our analysis to code generation, which is an emerging area of generative deep learning. Finally, we also formulate a set of practical guidelines for artists and developers working on deep learning generated art, as well as some policy suggestions for policymakers.

cs.CY↗

arXiv2025

Creativity and Machine Learning: A Survey

There is a growing interest in the area of machine learning and creativity. This survey presents an overview of the history and the state of the art of computational creativity theories, key machine learning techniques (including generative deep learning), and corresponding automatic evaluation methods. After presenting a critical discussion of the key contributions in this area, we outline the current research challenges and emerging opportunities in this field.

cs.LG↗

arXiv2025

Mutual Information Preserving Neural Network Pruning

Pruning has emerged as the primary approach used to limit the resource requirements of large neural networks (NNs). Since the proposal of the lottery ticket hypothesis, researchers have focused either on pruning at initialization or after training. However, recent theoretical findings have shown that the sample efficiency of robust pruned models is proportional to the mutual information (MI) between the pruning masks and the model's training datasets, \textit{whether at initialization or after training}. In this paper, starting from these results, we introduce Mutual Information Preserving Pruning (MIPP), a structured activation-based pruning technique applicable before or after training. The core principle of MIPP is to select nodes in a way that conserves MI shared between the activations of adjacent layers, and consequently between the data and masks. Approaching the pruning problem in this manner means we can prove that there exists a function that can map the pruned upstream layer's activations to the downstream layer's, implying re-trainability. We demonstrate that MIPP consistently outperforms state-of-the-art methods, regardless of whether pruning is performed before or after training.

cs.LG↗

arXiv2025

Hybrid Approaches for Moral Value Alignment in AI Agents: a Manifesto

Increasing interest in ensuring the safety of next-generation Artificial Intelligence (AI) systems calls for novel approaches to embedding morality into autonomous agents. This goal differs qualitatively from traditional task-specific AI methodologies. In this paper, we provide a systematization of existing approaches to the problem of introducing morality in machines - modelled as a continuum. Our analysis suggests that popular techniques lie at the extremes of this continuum - either being fully hard-coded into top-down, explicit rules, or entirely learned in a bottom-up, implicit fashion with no direct statement of any moral principle (this includes learning from human feedback, as applied to the training and finetuning of large language models, or LLMs). Given the relative strengths and weaknesses of each type of methodology, we argue that more hybrid solutions are needed to create adaptable and robust, yet controllable and interpretable agentic systems. To that end, this paper discusses both the ethical foundations (including deontology, consequentialism and virtue ethics) and implementations of morally aligned AI systems. We present a series of case studies that rely on intrinsic rewards, moral constraints or textual instructions, applied to either pure-Reinforcement Learning or LLM-based agents. By analysing these diverse implementations under one framework, we compare their relative strengths and shortcomings in developing morally aligned AI systems. We then discuss strategies for evaluating the effectiveness of moral learning agents. Finally, we present open research questions and implications for the future of AI safety and ethics which are emerging from this hybrid framework.

cs.AI↗

arXiv2024

CoMIX: A Multi-agent Reinforcement Learning Training Architecture for Efficient Decentralized Coordination and Independent Decision-Making

Robust coordination skills enable agents to operate cohesively in shared environments, together towards a common goal and, ideally, individually without hindering each other's progress. To this end, this paper presents Coordinated QMIX (CoMIX), a novel training framework for decentralized agents that enables emergent coordination through flexible policies, allowing at the same time independent decision-making at individual level. CoMIX models selfish and collaborative behavior as incremental steps in each agent's decision process. This allows agents to dynamically adapt their behavior to different situations balancing independence and collaboration. Experiments using a variety of simulation environments demonstrate that CoMIX outperforms baselines on collaborative tasks. The results validate our incremental approach as effective technique for improving coordination in multi-agent systems.

cs.LG↗

arXiv2024

Reinforcement Learning Discovers Efficient Decentralized Graph Path Search Strategies

Graph path search is a classic computer science problem that has been recently approached with Reinforcement Learning (RL) due to its potential to outperform prior methods. Existing RL techniques typically assume a global view of the network, which is not suitable for large-scale, dynamic, and privacy-sensitive settings. An area of particular interest is search in social networks due to its numerous applications. Inspired by seminal work in experimental sociology, which showed that decentralized yet efficient search is possible in social networks, we frame the problem as a collaborative task between multiple agents equipped with a limited local view of the network. We propose a multi-agent approach for graph path search that successfully leverages both homophily and structural heterogeneity. Our experiments, carried out over synthetic and real-world social networks, demonstrate that our model significantly outperforms learned and heuristic baselines. Furthermore, our results show that meaningful embeddings for graph navigation can be constructed using reward-driven learning.

cs.LG↗

arXiv2024

Feature Selection for Network Intrusion Detection

Network Intrusion Detection (NID) remains a key area of research within the information security community, while also being relevant to Machine Learning (ML) practitioners. The latter generally aim to detect attacks using network features, which have been extracted from raw network data typically using dimensionality reduction methods, such as principal component analysis (PCA). However, PCA is not able to assess the relevance of features for the task at hand. Consequently, the features available are of varying quality, with some being entirely non-informative. From this, two major drawbacks arise. Firstly, trained and deployed models have to process large amounts of unnecessary data, therefore draining potentially costly resources. Secondly, the noise caused by the presence of irrelevant features can, in some cases, impede a model's ability to detect an attack. In order to deal with these challenges, we present Feature Selection for Network Intrusion Detection (FSNID) a novel information-theoretic method that facilitates the exclusion of non-informative features when detecting network intrusions. The proposed method is based on function approximation using a neural network, which enables a version of our approach that incorporates a recurrent layer. Consequently, this version uniquely enables the integration of temporal dependencies. Through an extensive set of experiments, we demonstrate that the proposed method selects a significantly reduced feature set, while maintaining NID performance. Code will be made available upon publication.

cs.LG↗

arXiv2024

Heterogeneous Knowledge for Augmented Modular Reinforcement Learning

Existing modular Reinforcement Learning (RL) architectures are generally based on reusable components, also allowing for "plug-and-play" integration. However, these modules are homogeneous in nature - in fact, they essentially provide policies obtained via RL through the maximization of individual reward functions. Consequently, such solutions still lack the ability to integrate and process multiple types of information (i.e., heterogeneous knowledge representations), such as rules, sub-goals, and skills from various sources. In this paper, we discuss several practical examples of heterogeneous knowledge and propose Augmented Modular Reinforcement Learning (AMRL) to address these limitations. Our framework uses a selector to combine heterogeneous modules and seamlessly incorporate different types of knowledge representations and processing mechanisms. Our results demonstrate the performance and efficiency improvements, also in terms of generalization, that can be achieved by augmenting traditional modular RL with heterogeneous knowledge sources and processing mechanisms. Finally, we examine the safety, robustness, and interpretability issues stemming from the introduction of knowledge heterogeneity.

cs.LG↗

arXiv2024

Creative Beam Search: LLM-as-a-Judge For Improving Response Generation

Large language models are revolutionizing several areas, including artificial creativity. However, the process of generation in machines profoundly diverges from that observed in humans. In particular, machine generation is characterized by a lack of intentionality and an underlying creative process. We propose a method called Creative Beam Search that uses Diverse Beam Search and LLM-as-a-Judge to perform response generation and response validation. The results of a qualitative experiment show how our approach can provide better output than standard sampling techniques. We also show that the response validation step is a necessary complement to the response generation step.

cs.AI↗

arXiv2024

Graph Reinforcement Learning for Combinatorial Optimization: A Survey and Unifying Perspective

Graphs are a natural representation for systems based on relations between connected entities. Combinatorial optimization problems, which arise when considering an objective function related to a process of interest on discrete structures, are often challenging due to the rapid growth of the solution space. The trial-and-error paradigm of Reinforcement Learning has recently emerged as a promising alternative to traditional methods, such as exact algorithms and (meta)heuristics, for discovering better decision-making strategies in a variety of disciplines including chemistry, computer science, and statistics. Despite the fact that they arose in markedly different fields, these techniques share significant commonalities. Therefore, we set out to synthesize this work in a unifying perspective that we term Graph Reinforcement Learning, interpreting it as a constructive decision-making method for graph problems. After covering the relevant technical background, we review works along the dividing line of whether the goal is to optimize graph structure given a process of interest, or to optimize the outcome of the process itself under fixed graph structure. Finally, we discuss the common challenges facing the field and open research questions. In contrast with other surveys, the present work focuses on non-canonical graph problems for which performant algorithms are typically not known and Reinforcement Learning is able to provide efficient and effective solutions.

cs.LG↗