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Riccardo De Santi

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11 papers
2 author rows

Possible papers

11

EWRL Workshop 2025 Workshop Paper

Flow Density Control: Generative Optimization Beyond Entropy-Regularized Fine-Tuning

  • Riccardo De Santi
  • Marin Vlastelica
  • Ya-Ping Hsieh
  • Zebang Shen
  • Niao He
  • Andreas Krause

Adapting large-scale foundational flow and diffusion generative models to optimize task-specific objectives while preserving prior information is crucial for real-world applications such as molecular design, protein docking, and creative image generation. Existing principled fine-tuning methods aim to maximize the expected reward of generated samples, while retaining knowledge from the pre-trained model via KL-divergence regularization. In this work, we tackle the significantly more general problem of optimizing general utilities beyond average rewards, including risk-averse and novelty-seeking reward maximization, diversity measures for exploration, and experiment design objectives among others. Likewise, we consider more general ways to preserve prior information beyond KL-divergence, such as optimal transport distances and Rényi divergences. To this end, we introduce Flow Density Control (FDC), a simple algorithm that reduces this complex problem to a specific sequence of simpler fine-tuning tasks, each solvable via scalable established methods. We derive convergence guarantees for the proposed scheme under realistic assumptions by leveraging recent understanding of mirror flows. Finally, we validate our method on illustrative settings, text-to-image, and molecular design tasks, showing that it can steer pre-trained generative models to optimize objectives and solve practically relevant tasks beyond the reach of current fine-tuning schemes.

NeurIPS Conference 2025 Conference Paper

Flow Density Control: Generative Optimization Beyond Entropy-Regularized Fine-Tuning

  • Riccardo De Santi
  • Marin Vlastelica
  • Ya-Ping Hsieh
  • Zebang Shen
  • Niao He
  • Andreas Krause

Adapting large-scale foundational flow and diffusion generative models to optimize task-specific objectives while preserving prior information is crucial for real-world applications such as molecular design, protein docking, and creative image generation. Existing principled fine-tuning methods aim to maximize the expected reward of generated samples, while retaining knowledge from the pre-trained model via KL-divergence regularization. In this work, we tackle the significantly more general problem of optimizing general utilities beyond average rewards, including risk-averse and novelty-seeking reward maximization, diversity measures for exploration, and experiment design objectives among others. Likewise, we consider more general ways to preserve prior information beyond KL-divergence, such as optimal transport distances and Rényi divergences. To this end, we introduce Flow Density Control (FDC), a simple algorithm that reduces this complex problem to a specific sequence of simpler fine-tuning tasks, each solvable via scalable established methods. We derive convergence guarantees for the proposed scheme under realistic assumptions by leveraging recent understanding of mirror flows. Finally, we validate our method on illustrative settings, text-to-image, and molecular design tasks, showing that it can steer pre-trained generative models to optimize objectives and solve practically relevant tasks beyond the reach of current fine-tuning schemes.

ICML Conference 2025 Conference Paper

Provable Maximum Entropy Manifold Exploration via Diffusion Models

  • Riccardo De Santi
  • Marin Vlastelica
  • Ya-Ping Hsieh
  • Zebang Shen
  • Niao He
  • Andreas Krause 0001

Exploration is critical for solving real-world decision-making problems such as scientific discovery, where the objective is to generate truly novel designs rather than mimic existing data distributions. In this work, we address the challenge of leveraging the representational power of generative models for exploration without relying on explicit uncertainty quantification. We introduce a novel framework that casts exploration as entropy maximization over the approximate data manifold implicitly defined by a pre-trained diffusion model. Then, we present a novel principle for exploration based on density estimation, a problem well-known to be challenging in practice. To overcome this issue and render this method truly scalable, we leverage a fundamental connection between the entropy of the density induced by a diffusion model and its score function. Building on this, we develop an algorithm based on mirror descent that solves the exploration problem as sequential fine-tuning of a pre-trained diffusion model. We prove its convergence to the optimal exploratory diffusion model under realistic assumptions by leveraging recent understanding of mirror flows. Finally, we empirically evaluate our approach on both synthetic and high-dimensional text-to-image diffusion, demonstrating promising results.

ICLR Conference 2024 Conference Paper

Exploiting Causal Graph Priors with Posterior Sampling for Reinforcement Learning

  • Mirco Mutti
  • Riccardo De Santi
  • Marcello Restelli
  • Alexander Marx 0001
  • Giorgia Ramponi

Posterior sampling allows exploitation of prior knowledge on the environment's transition dynamics to improve the sample efficiency of reinforcement learning. The prior is typically specified as a class of parametric distributions, the design of which can be cumbersome in practice, often resulting in the choice of uninformative priors. In this work, we propose a novel posterior sampling approach in which the prior is given as a (partial) causal graph over the environment's variables. The latter is often more natural to design, such as listing known causal dependencies between biometric features in a medical treatment study. Specifically, we propose a hierarchical Bayesian procedure, called C-PSRL, simultaneously learning the full causal graph at the higher level and the parameters of the resulting factored dynamics at the lower level. We provide an analysis of the Bayesian regret of C-PSRL that explicitly connects the regret rate with the degree of prior knowledge. Our numerical evaluation conducted in illustrative domains confirms that C-PSRL strongly improves the efficiency of posterior sampling with an uninformative prior while performing close to posterior sampling with the full causal graph.

ICML Conference 2024 Conference Paper

Geometric Active Exploration in Markov Decision Processes: the Benefit of Abstraction

  • Riccardo De Santi
  • Federico Arangath Joseph
  • Noah Liniger
  • Mirco Mutti
  • Andreas Krause 0001

How can a scientist use a Reinforcement Learning (RL) algorithm to design experiments over a dynamical system’s state space? In the case of finite and Markovian systems, an area called Active Exploration (AE) relaxes the optimization problem of experiments design into Convex RL, a generalization of RL admitting a wider notion of reward. Unfortunately, this framework is currently not scalable and the potential of AE is hindered by the vastness of experiments spaces typical of scientific discovery applications. However, these spaces are often endowed with natural geometries, e. g. , permutation invariance in molecular design, that an agent could leverage to improve the statistical and computational efficiency of AE. To achieve this, we bridge AE and MDP homomorphisms, which offer a way to exploit known geometric structures via abstraction. Towards this goal, we make two fundamental contributions: we extend MDP homomorphisms formalism to Convex RL, and we present, to the best of our knowledge, the first analysis that formally captures the benefit of abstraction via homomorphisms on sample efficiency. Ultimately, we propose the Geometric Active Exploration (GAE) algorithm, which we analyse theoretically and experimentally in environments motivated by problems in scientific discovery.

ICML Conference 2024 Conference Paper

Global Reinforcement Learning: Beyond Linear and Convex Rewards via Submodular Semi-gradient Methods

  • Riccardo De Santi
  • Manish Prajapat
  • Andreas Krause 0001

In classic Reinforcement Learning (RL), the agent maximizes an additive objective of the visited states, e. g. , a value function. Unfortunately, objectives of this type cannot model many real-world applications such as experiment design, exploration, imitation learning, and risk-averse RL to name a few. This is due to the fact that additive objectives disregard interactions between states that are crucial for certain tasks. To tackle this problem, we introduce Global RL (GRL), where rewards are globally defined over trajectories instead of locally over states. Global rewards can capture negative interactions among states, e. g. , in exploration, via submodularity, positive interactions, e. g. , synergetic effects, via supermodularity, while mixed interactions via combinations of them. By exploiting ideas from submodular optimization, we propose a novel algorithmic scheme that converts any GRL problem to a sequence of classic RL problems and solves it efficiently with curvature-dependent approximation guarantees. We also provide hardness of approximation results and empirically demonstrate the effectiveness of our method on several GRL instances.

JMLR Journal 2023 Journal Article

Convex Reinforcement Learning in Finite Trials

  • Mirco Mutti
  • Riccardo De Santi
  • Piersilvio De Bartolomeis
  • Marcello Restelli

Convex Reinforcement Learning (RL) is a recently introduced framework that generalizes the standard RL objective to any convex (or concave) function of the state distribution induced by the agent's policy. This framework subsumes several applications of practical interest, such as pure exploration, imitation learning, and risk-averse RL, among others. However, the previous convex RL literature implicitly evaluates the agent's performance over infinite realizations (or trials), while most of the applications require excellent performance over a handful, or even just one, trials. To meet this practical demand, we formulate convex RL in finite trials, where the objective is any convex function of the empirical state distribution computed over a finite number of realizations. In this paper, we provide a comprehensive theoretical study of the setting, which includes an analysis of the importance of non-Markovian policies to achieve optimality, as well as a characterization of the computational and statistical complexity of the problem in various configurations. [abs] [ pdf ][ bib ] &copy JMLR 2023. ( edit, beta )

EWRL Workshop 2023 Workshop Paper

Exploiting Causal Graph Priors with Posterior Sampling for Reinforcement Learning

  • Mirco Mutti
  • Riccardo De Santi
  • Marcello Restelli
  • Alexander Marx
  • Giorgia Ramponi

Posterior sampling allows the exploitation of prior knowledge of the environment's transition dynamics to improve the sample efficiency of reinforcement learning. The prior is typically specified as a class of parametric distributions, a task that can be cumbersome in practice, often resulting in the choice of uninformative priors. In this work, we propose a novel posterior sampling approach in which the prior is given as a (partial) causal graph over the environment's variables. The latter is often more natural to design, such as listing known causal dependencies between biometric features in a medical treatment study. Specifically, we propose a hierarchical Bayesian procedure, called C-PSRL, simultaneously learning the full causal graph at the higher level and the parameters of the resulting factored dynamics at the lower level. For this procedure, we provide an analysis of its Bayesian regret, which explicitly connects the regret rate with the degree of prior knowledge. Our numerical evaluation conducted in illustrative domains confirms that C-PSRL strongly improves the efficiency of posterior sampling with an uninformative prior while performing close to posterior sampling with the full causal graph.

AAAI Conference 2023 Conference Paper

Provably Efficient Causal Model-Based Reinforcement Learning for Systematic Generalization

  • Mirco Mutti
  • Riccardo De Santi
  • Emanuele Rossi
  • Juan Felipe Calderon
  • Michael Bronstein
  • Marcello Restelli

In the sequential decision making setting, an agent aims to achieve systematic generalization over a large, possibly infinite, set of environments. Such environments are modeled as discrete Markov decision processes with both states and actions represented through a feature vector. The underlying structure of the environments allows the transition dynamics to be factored into two components: one that is environment-specific and another that is shared. Consider a set of environments that share the laws of motion as an example. In this setting, the agent can take a finite amount of reward-free interactions from a subset of these environments. The agent then must be able to approximately solve any planning task defined over any environment in the original set, relying on the above interactions only. Can we design a provably efficient algorithm that achieves this ambitious goal of systematic generalization? In this paper, we give a partially positive answer to this question. First, we provide a tractable formulation of systematic generalization by employing a causal viewpoint. Then, under specific structural assumptions, we provide a simple learning algorithm that guarantees any desired planning error up to an unavoidable sub-optimality term, while showcasing a polynomial sample complexity.

NeurIPS Conference 2022 Conference Paper

Challenging Common Assumptions in Convex Reinforcement Learning

  • Mirco Mutti
  • Riccardo De Santi
  • Piersilvio De Bartolomeis
  • Marcello Restelli

The classic Reinforcement Learning (RL) formulation concerns the maximization of a scalar reward function. More recently, convex RL has been introduced to extend the RL formulation to all the objectives that are convex functions of the state distribution induced by a policy. Notably, convex RL covers several relevant applications that do not fall into the scalar formulation, including imitation learning, risk-averse RL, and pure exploration. In classic RL, it is common to optimize an infinite trials objective, which accounts for the state distribution instead of the empirical state visitation frequencies, even though the actual number of trajectories is always finite in practice. This is theoretically sound since the infinite trials and finite trials objectives are equivalent and thus lead to the same optimal policy. In this paper, we show that this hidden assumption does not hold in convex RL. In particular, we prove that erroneously optimizing the infinite trials objective in place of the actual finite trials one, as it is usually done, can lead to a significant approximation error. Since the finite trials setting is the default in both simulated and real-world RL, we believe shedding light on this issue will lead to better approaches and methodologies for convex RL, impacting relevant research areas such as imitation learning, risk-averse RL, and pure exploration among others.

ICML Conference 2022 Conference Paper

The Importance of Non-Markovianity in Maximum State Entropy Exploration

  • Mirco Mutti
  • Riccardo De Santi
  • Marcello Restelli

In the maximum state entropy exploration framework, an agent interacts with a reward-free environment to learn a policy that maximizes the entropy of the expected state visitations it is inducing. Hazan et al. (2019) noted that the class of Markovian stochastic policies is sufficient for the maximum state entropy objective, and exploiting non-Markovianity is generally considered pointless in this setting. In this paper, we argue that non-Markovianity is instead paramount for maximum state entropy exploration in a finite-sample regime. Especially, we recast the objective to target the expected entropy of the induced state visitations in a single trial. Then, we show that the class of non-Markovian deterministic policies is sufficient for the introduced objective, while Markovian policies suffer non-zero regret in general. However, we prove that the problem of finding an optimal non-Markovian policy is NP-hard. Despite this negative result, we discuss avenues to address the problem in a tractable way and how non-Markovian exploration could benefit the sample efficiency of online reinforcement learning in future works.

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