Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

Bayesian optimization is a prominent method for optimizing expensive-to-evaluate black-box functions that is widely applied to tuning the hyperparameters of machine learning algorithms. Despite its successes, the prototypical Bayesian optimization approach - using Gaussian process models - does not scale well to either many hyperparameters or many function evaluations. Attacking this lack of scalability and flexibility is thus one of the key challenges of the field. We present a general approach for using flexible parametric models (neural networks) for Bayesian optimization, staying as close to a truly Bayesian treatment as possible. We obtain scalability through stochastic gradient Hamiltonian Monte Carlo, whose robustness we improve via a scale adaptation.

How do you go about integrating causal knowledge into decision systems or agents? We sat down with Matteo Ceriscioli to find out about his research in this space. This interview is the latest in our series featuring the AAAI/SIGAI Doctoral Consortium participants. Could you start by telling us a bit about your PhD - where are you studying, and what's the broad topic of your research? The idea is to integrate causal knowledge into agents or decision systems to make them more reliable.

The inverse Potts problem for estimating evolutionary single-site fields and pairwise couplings in homologous protein sequences from their single-site and pairwise amino acid frequencies observed in their multiple sequence alignment would be still one of useful methods in the studies of protein structure and evolution. Since the reproducibility of fields and couplings are the most important, the Boltzmann machine method is employed here, although it is computationally intensive. In order to reduce computational time required for the Boltzmann machine, parallel, persistent Markov chain Monte Carlo method is employed to estimate the single-site and pairwise marginal distributions in each learning step. Also, stochastic gradient descent methods are used to reduce computational time for each learning. Another problem is how to adjust the values of hyperparameters; there are two regularization parameters for evolutionary fields and couplings. The precision of contact residue pair prediction is often used to adjust the hyperparameters. However, it is not sensitive to these regularization parameters. Here, they are adjusted for the fields and couplings to satisfy a specific condition that is appropriate for protein conformations. This method has been applied to eight protein families.

We study model-free reinforcement learning (RL) in non-stationary finite-horizon episodic Markov decision processes (MDPs) without prior knowledge of the non-stationarity. We focus on the piecewise-stationary (PS) setting, where both the reward and transition dynamics can change an arbitrary number of times. We propose Detection Augmented Reinforcement Learning (DARLING), a modular wrapper for PS-RL that applies to both tabular and linear MDPs, without knowledge of the changes. Under certain change-point separation and reachability conditions, DARLING improves the best available dynamic regret bounds in both settings and yields strong empirical performance. We further establish the first minimax lower bounds for PS-RL in tabular and linear MDPs, showing that DARLING is the first nearly optimal algorithm. Experiments on standard benchmarks demonstrate that DARLING consistently surpasses the state-of-the-art methods across diverse non-stationary scenarios.

Machine learning models often inherit biases from historical data, raising critical concerns about fairness and accountability. Conventional fairness interventions typically require access to sensitive attributes like gender or race, but privacy and legal restrictions frequently limit their use. To address this challenge, we propose a framework that infers sensitive attributes from auxiliary features and integrates fairness constraints into model training. Our approach mitigates bias while preserving predictive accuracy, offering a practical solution for fairness-aware learning. Empirical evaluations validate its effectiveness, contributing to the advancement of more equitable algorithmic decision-making.

We derive explicit non-asymptotic PAC-Bayes generalization bounds for Gibbs posteriors, that is, data-dependent distributions over model parameters obtained by exponentially tilting a prior with the empirical risk. Unlike classical worst-case complexity bounds based on uniform laws of large numbers, which require explicit control of the model space in terms of metric entropy (integrals), our analysis yields posterior-averaged risk bounds that can be applied to overparameterized models and adapt to the data structure and the intrinsic model complexity. The bound involves a marginal-type integral over the parameter space, which we analyze using tools from singular learning theory to obtain explicit and practically meaningful characterizations of the posterior risk. Applications to low-rank matrix completion and ReLU neural network regression and classification show that the resulting bounds are analytically tractable and substantially tighter than classical complexity-based bounds. Our results highlight the potential of PAC-Bayes analysis for precise finite-sample generalization guarantees in modern overparameterized and singular models.