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 Learning Graphical Models


Nobel Prizes in physics and chemistry awarded for machine learning research

AIHub

The 2024 Nobel Prizes for physics and chemistry were announced on 8 and 9 October respectively. Both prizes were awarded for work enabling or using machine learning. More specifically, Hopfield is recognised for "inventing a network that uses a method for saving and recreating patterns". This Hopfield network utilises physics that describes a material's characteristics due to its atomic spin. The network as a whole is described in a manner equivalent to the energy in the spin system found in physics, and is trained by finding values for the connections between the nodes so that the saved images have low energy.


Efficient methods for Gaussian Markov random fields under sparse linear constraints

Neural Information Processing Systems

Methods for inference and simulation of linearly constrained Gaussian Markov Random Fields (GMRF) are computationally prohibitive when the number of constraints is large. In some cases, such as for intrinsic GMRFs, they may even be unfeasible. We propose a new class of methods to overcome these challenges in the common case of sparse constraints, where one has a large number of constraints and each only involves a few elements. Our methods rely on a basis transformation into blocks of constrained versus non-constrained subspaces, and we show that the methods greatly outperform existing alternatives in terms of computational cost. By combining the proposed methods with the stochastic partial differential equation approach for Gaussian random fields, we also show how to formulate Gaussian process regression with linear constraints in a GMRF setting to reduce computational cost.


Partitioning Structure Learning for Segmented Linear Regression Trees

Neural Information Processing Systems

This paper proposes a partitioning structure learning method for segmented linear regression trees (SLRT), which assigns linear predictors over the terminal nodes. The recursive partitioning process is driven by an adaptive split selection algorithm that maximizes, at each node, a criterion function based on a conditional Kendall's τ statistic that measures the rank dependence between the regressors and the fit- ted linear residuals. Theoretical analysis shows that the split selection algorithm permits consistent identification and estimation of the unknown segments. A suffi- ciently large tree is induced by applying the split selection algorithm recursively. Then the minimal cost-complexity tree pruning procedure is applied to attain the right-sized tree, that ensures (i) the nested structure of pruned subtrees and (ii) consistent estimation to the number of segments.


Natural Policy Gradient Primal-Dual Method for Constrained Markov Decision Processes

Neural Information Processing Systems

We study sequential decision-making problems in which each agent aims to maximize the expected total reward while satisfying a constraint on the expected total utility. We employ the natural policy gradient method to solve the discounted infinite-horizon Constrained Markov Decision Processes (CMDPs) problem. Specifically, we propose a new Natural Policy Gradient Primal-Dual (NPG-PD) method for CMDPs which updates the primal variable via natural policy gradient ascent and the dual variable via projected sub-gradient descent. Even though the underlying maximization involves a nonconcave objective function and a nonconvex constraint set under the softmax policy parametrization, we prove that our method achieves global convergence with sublinear rates regarding both the optimality gap and the constraint violation. Such a convergence is independent of the size of the state-action space, i.e., it is dimension-free.


A Polynomial Time Algorithm for Log-Concave Maximum Likelihood via Locally Exponential Families

Neural Information Processing Systems

We consider the problem of computing the maximum likelihood multivariate log-concave distribution for a set of points. Specifically, we present an algorithm which, given n points in \mathbb{R} d and an accuracy parameter \eps 0, runs in time \poly(n,d,1/\eps), and returns a log-concave distribution which, with high probability, has the property that the likelihood of the n points under the returned distribution is at most an additive \eps less than the maximum likelihood that could be achieved via any log-concave distribution. This is the first computationally efficient (polynomial time) algorithm for this fundamental and practically important task. Our algorithm rests on a novel connection with exponential families: the maximum likelihood log-concave distribution belongs to a class of structured distributions which, while not an exponential family, locally'' possesses key properties of exponential families. This connection then allows the problem of computing the log-concave maximum likelihood distribution to be formulated as a convex optimization problem, and solved via an approximate first-order method. Efficiently approximating the (sub) gradients of the objective function of this optimization problem is quite delicate, and is the main technical challenge in this work.


Exponential Family Estimation via Adversarial Dynamics Embedding

Neural Information Processing Systems

We present an efficient algorithm for maximum likelihood estimation (MLE) of exponential family models, with a general parametrization of the energy function that includes neural networks. We exploit the primal-dual view of the MLE with a kinetics augmented model to obtain an estimate associated with an adversarial dual sampler. To represent this sampler, we introduce a novel neural architecture, dynamics embedding, that generalizes Hamiltonian Monte-Carlo (HMC). The proposed approach inherits the flexibility of HMC while enabling tractable entropy estimation for the augmented model. By learning both a dual sampler and the primal model simultaneously, and sharing parameters between them, we obviate the requirement to design a separate sampling procedure once the model has been trained, leading to more effective learning.


Inverse Optimal Control Adapted to the Noise Characteristics of the Human Sensorimotor System

Neural Information Processing Systems

Computational level explanations based on optimal feedback control with signal-dependent noise have been able to account for a vast array of phenomena in human sensorimotor behavior. However, commonly a cost function needs to be assumed for a task and the optimality of human behavior is evaluated by comparing observed and predicted trajectories. Here, we introduce inverse optimal control with signal-dependent noise, which allows inferring the cost function from observed behavior. To do so, we formalize the problem as a partially observable Markov decision process and distinguish between the agent's and the experimenter's inference problems. Specifically, we derive a probabilistic formulation of the evolution of states and belief states and an approximation to the propagation equation in the linear-quadratic Gaussian problem with signal-dependent noise.


Distributionally Robust Parametric Maximum Likelihood Estimation

Neural Information Processing Systems

We consider the parameter estimation problem of a probabilistic generative model prescribed using a natural exponential family of distributions. For this problem, the typical maximum likelihood estimator usually overfits under limited training sample size, is sensitive to noise and may perform poorly on downstream predictive tasks. To mitigate these issues, we propose a distributionally robust maximum likelihood estimator that minimizes the worst-case expected log-loss uniformly over a parametric Kullback-Leibler ball around a parametric nominal distribution. Leveraging the analytical expression of the Kullback-Leibler divergence between two distributions in the same natural exponential family, we show that the min-max estimation problem is tractable in a broad setting, including the robust training of generalized linear models. Our novel robust estimator also enjoys statistical consistency and delivers promising empirical results in both regression and classification tasks.


Inverse Rational Control with Partially Observable Continuous Nonlinear Dynamics

Neural Information Processing Systems

A fundamental question in neuroscience is how the brain creates an internal model of the world to guide actions using sequences of ambiguous sensory information. This is naturally formulated as a reinforcement learning problem under partial observations, where an agent must estimate relevant latent variables in the world from its evidence, anticipate possible future states, and choose actions that optimize total expected reward. This problem can be solved by control theory, which allows us to find the optimal actions for a given system dynamics and objective function. However, animals often appear to behave suboptimally. We hypothesize that animals have their own flawed internal model of the world, and choose actions with the highest expected subjective reward according to that flawed model.


Beyond MLE: Convex Learning for Text Generation

Neural Information Processing Systems

Maximum likelihood estimation (MLE) is a statistical method used to estimate the parameters of a probability distribution that best explain the observed data. In the context of text generation, MLE is often used to train generative language models, which can then be used to generate new text. However, we argue that MLE is not always necessary and optimal, especially for closed-ended text generation tasks like machine translation. In these tasks, the goal of model is to generate the most appropriate response, which does not necessarily require it to estimate the entire data distribution with MLE. To this end, we propose a novel class of training objectives based on convex functions, which enables text generation models to focus on highly probable outputs without having to estimate the entire data distribution.