Author name cluster

Roberto Bondesan

Possible papers associated with this exact author name in Arrow. This page groups case-insensitive exact name matches and is not a full identity disambiguation profile.

6 papers

2 author rows

ICML Conference 2025 Conference Paper

Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts

Marta Skreta
Tara Akhound-Sadegh
Viktor Ohanesian
Roberto Bondesan
Alán Aspuru-Guzik
Arnaud Doucet
Rob Brekelmans
Alexander Tong 0001

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e. g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional ‘corrector’ steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation.

Details

ICLR Conference 2023 Conference Paper

Robust Scheduling with GFlowNets

David W. Zhang
Corrado Rainone
Markus Peschl
Roberto Bondesan

Finding the best way to schedule operations in a computation graph is a classical NP-hard problem which is central to compiler optimization. However, evaluating the goodness of a schedule on the target hardware can be very time-consuming. Traditional approaches as well as previous machine learning ones typically optimize proxy metrics, which are fast to evaluate but can lead to bad schedules when tested on the target hardware. In this work, we propose a new approach to scheduling by sampling proportionally to the proxy metric using a novel GFlowNet method. We introduce a technique to control the trade-off between diversity and goodness of the proposed schedules at inference time and demonstrate empirically that the pure optimization baselines can lead to subpar performance with respect to our approach when tested on a target model. Furthermore, we show that conditioning the GFlowNet on the computation graph enables generalization to unseen scheduling problems for both synthetic and real-world compiler datasets.

Details

NeurIPS Conference 2022 Conference Paper

Batch Bayesian Optimization on Permutations using the Acquisition Weighted Kernel

Changyong Oh
Roberto Bondesan
Efstratios Gavves
Max Welling

In this work we propose a batch Bayesian optimization method for combinatorial problems on permutations, which is well suited for expensive-to-evaluate objectives. We first introduce LAW, an efficient batch acquisition method based on determinantal point processes using the acquisition weighted kernel. Relying on multiple parallel evaluations, LAW enables accelerated search on combinatorial spaces. We then apply the framework to permutation problems, which have so far received little attention in the Bayesian Optimization literature, despite their practical importance. We call this method LAW2ORDER. On the theoretical front, we prove that LAW2ORDER has vanishing simple regret by showing that the batch cumulative regret is sublinear. Empirically, we assess the method on several standard combinatorial problems involving permutations such as quadratic assignment, flowshop scheduling and the traveling salesman, as well as on a structure learning task.

PDF Details

NeurIPS Conference 2022 Conference Paper

Neural Topological Ordering for Computation Graphs

Mukul Gagrani
Corrado Rainone
Yang Yang
Harris Teague
Wonseok Jeon
Roberto Bondesan
Herke van Hoof
Christopher Lott

Recent works on machine learning for combinatorial optimization have shown that learning based approaches can outperform heuristic methods in terms of speed and performance. In this paper, we consider the problem of finding an optimal topological order on a directed acyclic graph (DAG) with focus on the memory minimization problem which arises in compilers. We propose an end-to-end machine learning based approach for topological ordering using an encoder-decoder framework. Our encoder is a novel attention based graph neural network architecture called \emph{Topoformer} which uses different topological transforms of a DAG for message passing. The node embeddings produced by the encoder are converted into node priorities which are used by the decoder to generate a probability distribution over topological orders. We train our model on a dataset of synthetically generated graphs called layered graphs. We show that our model outperforms, or is on-par, with several topological ordering baselines while being significantly faster on synthetic graphs with up to 2k nodes. We also train and test our model on a set of real-world computation graphs, showing performance improvements.

PDF Details

ICLR Conference 2021 Conference Paper

Probabilistic Numeric Convolutional Neural Networks

Marc Anton Finzi
Roberto Bondesan
Max Welling

Continuous input signals like images and time series that are irregularly sampled or have missing values are challenging for existing deep learning methods. Coherently defined feature representations must depend on the values in unobserved regions of the input. Drawing from the work in probabilistic numerics, we propose Probabilistic Numeric Convolutional Neural Networks which represent features as Gaussian processes, providing a probabilistic description of discretization error. We then define a convolutional layer as the evolution of a PDE defined on this GP, followed by a nonlinearity. This approach also naturally admits steerable equivariant convolutions under e.g. the rotation group. In experiments we show that our approach yields a $3\times$ reduction of error from the previous state of the art on the SuperPixel-MNIST dataset and competitive performance on the medical time series dataset PhysioNet2012.

Details

ICML Conference 2021 Conference Paper

The Hintons in your Neural Network: a Quantum Field Theory View of Deep Learning

Roberto Bondesan
Max Welling

In this work we develop a quantum field theory formalism for deep learning, where input signals are encoded in Gaussian states, a generalization of Gaussian processes which encode the agent’s uncertainty about the input signal. We show how to represent linear and non-linear layers as unitary quantum gates, and interpret the fundamental excitations of the quantum model as particles, dubbed “Hintons”. On top of opening a new perspective and techniques for studying neural networks, the quantum formulation is well suited for optical quantum computing, and provides quantum deformations of neural networks that can be run efficiently on those devices. Finally, we discuss a semi-classical limit of the quantum deformed models which is amenable to classical simulation.

Details