Federico Berto

Federico Berto, Chuanbo Hua, Junyoung Park et al. · pku

Combinatorial optimization (CO) is fundamental to several real-world applications, from logistics and scheduling to hardware design and resource allocation. Deep reinforcement learning (RL) has recently shown significant benefits in solving CO problems, reducing reliance on domain expertise and improving computational efficiency. However, the absence of a unified benchmarking framework leads to inconsistent evaluations, limits reproducibility, and increases engineering overhead, raising barriers to adoption for new researchers. To address these challenges, we introduce RL4CO, a unified and extensive benchmark with in-depth library coverage of 27 CO problem environments and 23 state-of-the-art baselines. Built on efficient software libraries and best practices in implementation, RL4CO features modularized implementation and flexible configurations of diverse environments, policy architectures, RL algorithms, and utilities with extensive documentation. RL4CO helps researchers build on existing successes while exploring and developing their own designs, facilitating the entire research process by decoupling science from heavy engineering. We finally provide extensive benchmark studies to inspire new insights and future work. RL4CO has already attracted numerous researchers in the community and is open-sourced at https://github.com/ai4co/rl4co.

Minsu Kim, Federico Berto, Sungsoo Ahn et al.

We study the problem of optimizing biological sequences, e.g., proteins, DNA, and RNA, to maximize a black-box score function that is only evaluated in an offline dataset. We propose a novel solution, bootstrapped training of score-conditioned generator (BootGen) algorithm. Our algorithm repeats a two-stage process. In the first stage, our algorithm trains the biological sequence generator with rank-based weights to enhance the accuracy of sequence generation based on high scores. The subsequent stage involves bootstrapping, which augments the training dataset with self-generated data labeled by a proxy score function. Our key idea is to align the score-based generation with a proxy score function, which distills the knowledge of the proxy score function to the generator. After training, we aggregate samples from multiple bootstrapped generators and proxies to produce a diverse design. Extensive experiments show that our method outperforms competitive baselines on biological sequential design tasks. We provide reproducible source code: \href{https://github.com/kaist-silab/bootgen}{https://github.com/kaist-silab/bootgen}.

Michael Poli, Stefano Massaroli, Federico Berto et al.

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

Federico Berto, Chuanbo Hua, Laurin Luttmann et al.

Combinatorial optimization problems involving multiple agents are notoriously challenging due to their NP-hard nature and the necessity for effective agent coordination. Despite advancements in learning-based methods, existing approaches often face critical limitations, including suboptimal agent coordination, poor generalization, and high computational latency. To address these issues, we propose PARCO (Parallel AutoRegressive Combinatorial Optimization), a general reinforcement learning framework designed to construct high-quality solutions for multi-agent combinatorial tasks efficiently. To this end, PARCO integrates three key novel components: (1) transformer-based communication layers to enable effective agent collaboration during parallel solution construction, (2) a multiple pointer mechanism for low-latency, parallel agent decision-making, and (3) priority-based conflict handlers to resolve decision conflicts via learned priorities. We evaluate PARCO in multi-agent vehicle routing and scheduling problems, where our approach outperforms state-of-the-art learning methods, demonstrating strong generalization ability and remarkable computational efficiency. We make our source code publicly available to foster future research: https://github.com/ai4co/parco.

Haeyeon Kim, Minsu Kim, Federico Berto et al.

In this paper, we present DevFormer, a novel transformer-based architecture for addressing the complex and computationally demanding problem of hardware design optimization. Despite the demonstrated efficacy of transformers in domains including natural language processing and computer vision, their use in hardware design has been limited by the scarcity of offline data. Our approach addresses this limitation by introducing strong inductive biases such as relative positional embeddings and action-permutation symmetricity that effectively capture the hardware context and enable efficient design optimization with limited offline data. We apply DevFoemer to the problem of decoupling capacitor placement and show that it outperforms state-of-the-art methods in both simulated and real hardware, leading to improved performances while reducing the number of components by more than $30\%$. Finally, we show that our approach achieves promising results in other offline contextual learning-based combinatorial optimization tasks.

Zihan Ma, Zhikai Zhao, Chuanbo Hua et al.

Optimizing LLM-based agentic workflows is challenging for scaling AI capabilities. Current methods rely on coarse, end-to-end evaluation signals and lack fine-grained signals on where to refine, often resulting in inefficient or low-impact modifications. To address these limitations, we propose {\our{}}, an Evaluation-Judge-Optimization-Update pipeline. We incorporate reusable, configurable logic blocks into agentic workflows to capture fundamental forms of logic. On top of this abstraction, we design a dedicated Judge module that inspects execution traces -- particularly failed runs -- and assigns rank-based responsibility scores to problematic blocks. These fine-grained diagnostic signals are then leveraged by an LLM-based optimizer, which focuses modifications on the most problematic block in the workflow. Our approach improves sample efficiency, enhances interpretability through block-level diagnostics, and provides a scalable foundation for automating increasingly complex agentic workflows. We evaluate {\our{}} on mathematical reasoning and code generation benchmarks, where {\our{}} achieves superior performance and efficiency compared to existing methods. The source code is publicly available at https://github.com/ma-zihan/JudgeFlow.

Federico Berto, Stefano Massaroli, Michael Poli et al.

Synthesizing optimal controllers for dynamical systems often involves solving optimization problems with hard real-time constraints. These constraints determine the class of numerical methods that can be applied: computationally expensive but accurate numerical routines are replaced by fast and inaccurate methods, trading inference time for solution accuracy. This paper provides techniques to improve the quality of optimized control policies given a fixed computational budget. We achieve the above via a hypersolvers approach, which hybridizes a differential equation solver and a neural network. The performance is evaluated in direct and receding-horizon optimal control tasks in both low and high dimensions, where the proposed approach shows consistent Pareto improvements in solution accuracy and control performance.

Junyoung Park, Federico Berto, Arec Jamgochian et al.

In this paper, we propose Meta-SysId, a meta-learning approach to model sets of systems that have behavior governed by common but unknown laws and that differentiate themselves by their context. Inspired by classical modeling-and-identification approaches, Meta-SysId learns to represent the common law through shared parameters and relies on online optimization to compute system-specific context. Compared to optimization-based meta-learning methods, the separation between class parameters and context variables reduces the computational burden while allowing batch computations and a simple training scheme. We test Meta-SysId on polynomial regression, time-series prediction, model-based control, and real-world traffic prediction domains, empirically finding it outperforms or is competitive with meta-learning baselines.

Chuanbo Hua, Federico Berto, Michael Poli et al.

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this paper, we present GraphSplineNets, a novel deep-learning method to speed up the forecasting of physical systems by reducing the grid size and number of iteration steps of deep surrogate models. Our method uses two differentiable orthogonal spline collocation methods to efficiently predict response at any location in time and space. Additionally, we introduce an adaptive collocation strategy in space to prioritize sampling from the most important regions. GraphSplineNets improve the accuracy-speedup tradeoff in forecasting various dynamical systems with increasing complexity, including the heat equation, damped wave propagation, Navier-Stokes equations, and real-world ocean currents in both regular and irregular domains.

Huijie Tang, Federico Berto, Jinkyoo Park

Multi-Agent Reinforcement Learning (MARL) based Multi-Agent Path Finding (MAPF) has recently gained attention due to its efficiency and scalability. Several MARL-MAPF methods choose to use communication to enrich the information one agent can perceive. However, existing works still struggle in structured environments with high obstacle density and a high number of agents. To further improve the performance of the communication-based MARL-MAPF solvers, we propose a new method, Ensembling Prioritized Hybrid Policies (EPH). We first propose a selective communication block to gather richer information for better agent coordination within multi-agent environments and train the model with a Q learning-based algorithm. We further introduce three advanced inference strategies aimed at bolstering performance during the execution phase. First, we hybridize the neural policy with single-agent expert guidance for navigating conflict-free zones. Secondly, we propose Q value-based methods for prioritized resolution of conflicts as well as deadlock situations. Finally, we introduce a robust ensemble method that can efficiently collect the best out of multiple possible solutions. We empirically evaluate EPH in complex multi-agent environments and demonstrate competitive performance against state-of-the-art neural methods for MAPF. We open-source our code at https://github.com/ai4co/eph-mapf.

Zhikai Zhao, Chuanbo Hua, Federico Berto et al.

Trajectory prediction is a crucial task in modeling human behavior, especially in fields as social robotics and autonomous vehicle navigation. Traditional heuristics based on handcrafted rules often lack accuracy, while recently proposed deep learning approaches suffer from computational cost, lack of explainability, and generalization issues that limit their practical adoption. In this paper, we introduce TrajEvo, a framework that leverages Large Language Models (LLMs) to automatically design trajectory prediction heuristics. TrajEvo employs an evolutionary algorithm to generate and refine prediction heuristics from past trajectory data. We introduce a Cross-Generation Elite Sampling to promote population diversity and a Statistics Feedback Loop allowing the LLM to analyze alternative predictions. Our evaluations show TrajEvo outperforms previous heuristic methods on the ETH-UCY datasets, and remarkably outperforms both heuristics and deep learning methods when generalizing to the unseen SDD dataset. TrajEvo represents a first step toward automated design of fast, explainable, and generalizable trajectory prediction heuristics. We make our source code publicly available to foster future research at https://github.com/ai4co/trajevo.

Chuanbo Hua, Federico Berto, Jiwoo Son et al.

The profiled vehicle routing problem (PVRP) is a generalization of the heterogeneous capacitated vehicle routing problem (HCVRP) in which the objective is to optimize the routes of vehicles to serve client demands subject to different vehicle profiles, with each having a preference or constraint on a per-client basis. While existing learning methods have shown promise for solving the HCVRP in real-time, no learning method exists to solve the more practical and challenging PVRP. In this paper, we propose a Collaborative Attention Model with Profiles (CAMP), a novel approach that learns efficient solvers for PVRP using multi-agent reinforcement learning. CAMP employs a specialized attention-based encoder architecture to embed profiled client embeddings in parallel for each vehicle profile. We design a communication layer between agents for collaborative decision-making across profiled embeddings at each decoding step and a batched pointer mechanism to attend to the profiled embeddings to evaluate the likelihood of the next actions. We evaluate CAMP on two variants of PVRPs: PVRP with preferences, which explicitly influence the reward function, and PVRP with zone constraints with different numbers of agents and clients, demonstrating that our learned solvers achieve competitive results compared to both classical state-of-the-art neural multi-agent models in terms of solution quality and computational efficiency. We make our code openly available at https://github.com/ai4co/camp.

Jiwoo Son, Zhikai Zhao, Federico Berto et al.

Vehicle Routing Problems (VRPs) are a class of NP-hard problems ubiquitous in several real-world logistics scenarios that pose significant challenges for optimization. Neural Combinatorial Optimization (NCO) has emerged as a promising alternative to classical approaches, as it can learn fast heuristics to solve VRPs. However, most research works in NCO for VRPs focus on simplified settings, which do not account for asymmetric distances and travel durations that cannot be derived by simple Euclidean distances and unrealistic data distributions, hindering real-world deployment. This work introduces RRNCO (Real Routing NCO) to bridge the gap of NCO between synthetic and real-world VRPs in the critical aspects of both data and modeling. First, we introduce a new, openly available dataset with real-world data containing a diverse dataset of locations, distances, and duration matrices from 100 cities, considering realistic settings with actual routing distances and durations obtained from Open Source Routing Machine (OSRM). Second, we propose a novel approach that efficiently processes both node and edge features through contextual gating, enabling the construction of more informed node embedding, and we finally incorporate an Adaptation Attention Free Module (AAFM) with neural adaptive bias mechanisms that effectively integrates not only distance matrices but also angular relationships between nodes, allowing our model to capture rich structural information. RRNCO achieves state-of-the-art results in real-world VRPs among NCO methods. We make our dataset and code publicly available at https://github.com/ai4co/real-routing-nco.

Zhikai Zhao, Chuanbo Hua, Federico Berto et al.

Trajectory prediction is a critical task in modeling human behavior, especially in safety-critical domains such as social robotics and autonomous vehicle navigation. Traditional heuristics based on handcrafted rules often lack accuracy and generalizability. Although deep learning approaches offer improved performance, they typically suffer from high computational cost, limited explainability, and, importantly, poor generalization to out-of-distribution (OOD) scenarios. In this paper, we introduce TrajEvo, a framework that leverages Large Language Models (LLMs) to automatically design trajectory prediction heuristics. TrajEvo employs an evolutionary algorithm to generate and refine prediction heuristics from past trajectory data. We propose two key innovations: Cross-Generation Elite Sampling to encourage population diversity, and a Statistics Feedback Loop that enables the LLM to analyze and improve alternative predictions. Our evaluations demonstrate that TrajEvo outperforms existing heuristic methods across multiple real-world datasets, and notably surpasses both heuristic and deep learning methods in generalizing to an unseen OOD real-world dataset. TrajEvo marks a promising step toward the automated design of fast, explainable, and generalizable trajectory prediction heuristics. We release our source code to facilitate future research at https://github.com/ai4co/trajevo.

Zhikai Zhao, Chuanbo Hua, Federico Berto et al.

Robot navigation is a crucial task with applications to social robots in dynamic human environments. While Reinforcement Learning (RL) has shown great promise for this problem, the policy quality is highly sensitive to the specification of reward functions. Hand-crafted rewards require substantial domain expertise and embed inductive biases that are difficult to audit or adapt, limiting their effectiveness and leading to suboptimal performance. In this paper, we propose EvoNav, an evolutionary framework that automates the design of robot navigation reward functions via large language models (LLMs). To overcome prohibitively costly policy training, EvoNav evaluates each candidate proposal from the LLM via a progressive three-stage warm-up-boost procedure. EvoNav advances from analytical proxies with low-cost surrogates, such as small datasets and analytic rules, to lightweight rollouts and, finally, to full policy training, enabling computationally efficient exploration under effective feedback. Experiment results show that EvoNav produces more effective navigation policies than manually designed RL rewards and state-of-the-art reward design methods.

Chuanbo Hua, Federico Berto, Andre Hottung et al.

Transformer-based models have become the dominant paradigm for neural combinatorial optimization (NCO) of vehicle routing problems (VRPs), yet the role of positional encoding (PE) in these architectures remains largely unexplored. Unlike natural language, where tokens are uniformly spaced on a line, routing solutions exhibit several properties that render standard NLP positional encodings inadequate. In this work, we formalize three such structural properties that a routing-aware PE should respect, namely anisometric node distances, cyclic and direction-aware topology, and hierarchical depot-anchored global multi-route structure, combining them with a unifying design principle of geometric grounding. Guided by these criteria, we analyze and compare PE methods spanning NLP, graph-transformer, and routing-specific families, and propose a hierarchical anisometric PE that combines a distance-indexed, circularly consistent in-route encoding with a depot-anchored angular cross-route encoding. Extensive experiments across diverse VRP variants demonstrate that geometry-grounded PE consistently outperforms index-based alternatives, with gains that transfer across problem variants, model architectures, and distribution shifts.

Haoran Ye, Jiarui Wang, Zhiguang Cao et al. · pku

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

Federico Berto, Chuanbo Hua, Nayeli Gast Zepeda et al.

This paper introduces RouteFinder, a comprehensive foundation model framework to tackle different Vehicle Routing Problem (VRP) variants. Our core idea is that a foundation model for VRPs should be able to represent variants by treating each as a subset of a generalized problem equipped with different attributes. We propose a unified VRP environment capable of efficiently handling any combination of these attributes. The RouteFinder model leverages a modern transformer-based encoder and global attribute embeddings to improve task representation. Additionally, we introduce two reinforcement learning techniques to enhance multi-task performance: mixed batch training, which enables training on different variants at once, and multi-variant reward normalization to balance different reward scales. Finally, we propose efficient adapter layers that enable fine-tuning for new variants with unseen attributes. Extensive experiments on 48 VRP variants show RouteFinder outperforms recent state-of-the-art learning methods. Our code is publicly available at https://github.com/ai4co/routefinder.

Huijie Tang, Federico Berto, Zihan Ma et al.

Large-scale multi-agent pathfinding (MAPF) presents significant challenges in several areas. As systems grow in complexity with a multitude of autonomous agents operating simultaneously, efficient and collision-free coordination becomes paramount. Traditional algorithms often fall short in scalability, especially in intricate scenarios. Reinforcement Learning (RL) has shown potential to address the intricacies of MAPF; however, it has also been shown to struggle with scalability, demanding intricate implementation, lengthy training, and often exhibiting unstable convergence, limiting its practical application. In this paper, we introduce Heuristics-Informed Multi-Agent Pathfinding (HiMAP), a novel scalable approach that employs imitation learning with heuristic guidance in a decentralized manner. We train on small-scale instances using a heuristic policy as a teacher that maps each single agent observation information to an action probability distribution. During pathfinding, we adopt several inference techniques to improve performance. With a simple training scheme and implementation, HiMAP demonstrates competitive results in terms of success rate and scalability in the field of imitation-learning-only MAPF, showing the potential of imitation-learning-only MAPF equipped with inference techniques.

André Hottung, Federico Berto, Chuanbo Hua et al. · pku

Designing high-performing heuristics for vehicle routing problems (VRPs) is a complex task that requires both intuition and deep domain knowledge. Large language model (LLM)-based code generation has recently shown promise across many domains, but it still falls short of producing heuristics that rival those crafted by human experts. In this paper, we propose VRPAgent, a framework that integrates LLM-generated components into a metaheuristic and refines them through a novel genetic search. By using the LLM to generate problem-specific operators, embedded within a generic metaheuristic framework, VRPAgent keeps tasks manageable, guarantees correctness, and still enables the discovery of novel and powerful strategies. Across multiple problems, including the capacitated VRP, the VRP with time windows, and the prize-collecting VRP, our method discovers heuristic operators that outperform handcrafted methods and recent learning-based approaches while requiring only a single CPU core. To our knowledge, \VRPAgent is the first LLM-based paradigm to advance the state-of-the-art in VRPs, highlighting a promising future for automated heuristics discovery.

Chuanbo Hua, Federico Berto, Zhikai Zhao et al.

The Profiled Vehicle Routing Problem (PVRP) extends the classical VRP by incorporating vehicle-client-specific preferences and constraints, reflecting real-world requirements such as zone restrictions and service-level preferences. While recent reinforcement-learning solvers have shown promising performance, they require retraining for each new profile distribution, suffer from poor representation ability, and struggle to generalize to out-of-distribution instances. In this paper, we address these limitations by introducing Unified Solver for Profiled Routing (USPR), a novel framework that natively handles arbitrary profile types. USPR introduces on three key innovations: (i) Profile Embeddings (PE) to encode any combination of profile types; (ii) Multi-Head Profiled Attention (MHPA), an attention mechanism that models rich interactions between vehicles and clients; (iii) Profile-aware Score Reshaping (PSR), which dynamically adjusts decoder logits using profile scores to improve generalization. Empirical results on diverse PVRP benchmarks demonstrate that USPR achieves state-of-the-art results among learning-based methods while offering significant gains in flexibility and computational efficiency. We make our source code publicly available to foster future research.