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 Uncertainty


Minimizing low-rank models of high-order tensors: Hardness, span, tight relaxation, and applications

arXiv.org Artificial Intelligence

We consider the problem of finding the smallest or largest entry of a tensor of order N that is specified via its rank decomposition. Stated in a different way, we are given N sets of R-dimensional vectors and we wish to select one vector from each set such that the sum of the Hadamard product of the selected vectors is minimized or maximized. We show that this fundamental tensor problem is NP-hard for any tensor rank higher than one, and polynomial-time solvable in the rank-one case. We also propose a continuous relaxation and prove that it is tight for any rank. For low-enough ranks, the proposed continuous reformulation is amenable to low-complexity gradient-based optimization, and we propose a suite of gradient-based optimization algorithms drawing from projected gradient descent, Frank-Wolfe, or explicit parametrization of the relaxed constraints. We also show that our core results remain valid no matter what kind of polyadic tensor model is used to represent the tensor of interest, including Tucker, HOSVD/MLSVD, tensor train, or tensor ring. Next, we consider the class of problems that can be posed as special instances of the problem of interest. We show that this class includes the partition problem (and thus all NP-complete problems via polynomial-time transformation), integer least squares, integer linear programming, integer quadratic programming, sign retrieval (a special kind of mixed integer programming / restricted version of phase retrieval), and maximum likelihood decoding of parity check codes. We demonstrate promising experimental results on a number of hard problems, including state-of-art performance in decoding low density parity check codes and general parity check codes.


Risk-Sensitive Stochastic Optimal Control as Rao-Blackwellized Markovian Score Climbing

arXiv.org Artificial Intelligence

Stochastic optimal control of dynamical systems is a crucial challenge in sequential decision-making. Recently, control-as-inference approaches have had considerable success, providing a viable risk-sensitive framework to address the exploration-exploitation dilemma. Nonetheless, a majority of these techniques only invoke the inference-control duality to derive a modified risk objective that is then addressed within a reinforcement learning framework. This paper introduces a novel perspective by framing risk-sensitive stochastic control as Markovian score climbing under samples drawn from a conditional particle filter. Our approach, while purely inference-centric, provides asymptotically unbiased estimates for gradient-based policy optimization with optimal importance weighting and no explicit value function learning. To validate our methodology, we apply it to the task of learning neural non-Gaussian feedback policies, showcasing its efficacy on numerical benchmarks of stochastic dynamical systems.


RetailSynth: Synthetic Data Generation for Retail AI Systems Evaluation

arXiv.org Artificial Intelligence

Significant research effort has been devoted in recent years to developing personalized pricing, promotions, and product recommendation algorithms that can leverage rich customer data to learn and earn. Systematic benchmarking and evaluation of these causal learning systems remains a critical challenge, due to the lack of suitable datasets and simulation environments. In this work, we propose a multi-stage model for simulating customer shopping behavior that captures important sources of heterogeneity, including price sensitivity and past experiences. We embedded this model into a working simulation environment -- RetailSynth. RetailSynth was carefully calibrated on publicly available grocery data to create realistic synthetic shopping transactions. Multiple pricing policies were implemented within the simulator and analyzed for impact on revenue, category penetration, and customer retention. Applied researchers can use RetailSynth to validate causal demand models for multi-category retail and to incorporate realistic price sensitivity into emerging benchmarking suites for personalized pricing, promotions, and product recommendations.


Solving Long-run Average Reward Robust MDPs via Stochastic Games

arXiv.org Artificial Intelligence

Markov decision processes (MDPs) provide a standard framework for sequential decision making under uncertainty. However, transition probabilities in MDPs are often estimated from data and MDPs do not take data uncertainty into account. Robust Markov decision processes (RMDPs) address this shortcoming of MDPs by assigning to each transition an uncertainty set rather than a single probability value. The goal of solving RMDPs is then to find a policy which maximizes the worst-case performance over the uncertainty sets. In this work, we consider polytopic RMDPs in which all uncertainty sets are polytopes and study the problem of solving long-run average reward polytopic RMDPs. Our focus is on computational complexity aspects and efficient algorithms. We present a novel perspective on this problem and show that it can be reduced to solving long-run average reward turn-based stochastic games with finite state and action spaces. This reduction allows us to derive several important consequences that were hitherto not known to hold for polytopic RMDPs. First, we derive new computational complexity bounds for solving long-run average reward polytopic RMDPs, showing for the first time that the threshold decision problem for them is in NP coNP and that they admit a randomized algorithm with sub-exponential expected runtime. Second, we present Robust Polytopic Policy Iteration (RPPI), a novel policy iteration algorithm for solving long-run average reward polytopic RMDPs. Our experimental evaluation shows that RPPI is much more efficient in solving long-run average reward polytopic RMDPs compared to state-of-the-art methods based on value iteration.


nbi: the Astronomer's Package for Neural Posterior Estimation

arXiv.org Artificial Intelligence

Despite the promise of Neural Posterior Estimation (NPE) methods in astronomy, the adaptation of NPE into the routine inference workflow has been slow. We identify three critical issues: the need for custom featurizer networks tailored to the observed data, the inference inexactness, and the under-specification of physical forward models. To address the first two issues, we introduce a new framework and open-source software nbi (Neural Bayesian Inference), which supports both amortized and sequential NPE. First, nbi provides built-in "featurizer" networks with demonstrated efficacy on sequential data, such as light curve and spectra, thus obviating the need for this customization on the user end. Second, we introduce a modified algorithm SNPE-IS, which facilities asymptotically exact inference by using the surrogate posterior under NPE only as a proposal distribution for importance sampling. These features allow nbi to be applied off-the-shelf to astronomical inference problems involving light curves and spectra. We discuss how nbi may serve as an effective alternative to existing methods such as Nested Sampling. Our package is at https://github.com/kmzzhang/nbi.


One-Line-of-Code Data Mollification Improves Optimization of Likelihood-based Generative Models

arXiv.org Artificial Intelligence

Generative Models (GMs) have attracted considerable attention due to their tremendous success in various domains, such as computer vision where they are capable to generate impressive realistic-looking images. Likelihood-based GMs are attractive due to the possibility to generate new data by a single model evaluation. However, they typically achieve lower sample quality compared to state-of-the-art score-based diffusion models (DMs). This paper provides a significant step in the direction of addressing this limitation. The idea is to borrow one of the strengths of score-based DMs, which is the ability to perform accurate density estimation in low-density regions and to address manifold overfitting by means of data mollification. We connect data mollification through the addition of Gaussian noise to Gaussian homotopy, which is a well-known technique to improve optimization. Data mollification can be implemented by adding one line of code in the optimization loop, and we demonstrate that this provides a boost in generation quality of likelihood-based GMs, without computational overheads. We report results on image data sets with popular likelihood-based GMs, including variants of variational autoencoders and normalizing flows, showing large improvements in FID score.


Contingency Games for Multi-Agent Interaction

arXiv.org Artificial Intelligence

Contingency planning, wherein an agent generates a set of possible plans conditioned on the outcome of an uncertain event, is an increasingly popular way for robots to act under uncertainty. In this work we take a game-theoretic perspective on contingency planning, tailored to multi-agent scenarios in which a robot's actions impact the decisions of other agents and vice versa. The resulting contingency game allows the robot to efficiently interact with other agents by generating strategic motion plans conditioned on multiple possible intents for other actors in the scene. Contingency games are parameterized via a scalar variable which represents a future time when intent uncertainty will be resolved. By estimating this parameter online, we construct a game-theoretic motion planner that adapts to changing beliefs while anticipating future certainty. We show that existing variants of game-theoretic planning under uncertainty are readily obtained as special cases of contingency games. Through a series of simulated autonomous driving scenarios, we demonstrate that contingency games close the gap between certainty-equivalent games that commit to a single hypothesis and non-contingent multi-hypothesis games that do not account for future uncertainty reduction.


Learned reconstruction methods for inverse problems: sample error estimates

arXiv.org Machine Learning

The mathematical treatment of inverse problems has proved to be a lively and attractive research field, driven and motivated by a wide variety of applications and by the theoretical challenges induced by their ill-posed nature. In order to provide more accurate and reliable strategies, especially for the reconstruction task, the scientific research in the field has shown a growing interest in the topic of learned reconstruction, or data-driven, methods, to combine classical, model-based approaches with valuable information of statistical nature. This has represented a natural outcome and development of the analysis of inverse problems, both on a numerical and on a theoretical side: indeed, the idea of leveraging prior knowledge on the solution has traditionally been considered to mitigate ill-posedness, as a regularization tool as much as a support for the reconstruction. We have now witnessed the emergence of several learning-based approaches to inverse problems, providing, in many cases, striking numerical results in terms of accuracy and efficiency. Moreover, significant interest has grown in the direction of theoretical guarantees for such techniques, spanning from the demand of interpretability and reliability, up to the issues of stability and convergence [8, 55]. Despite several distinct avenues have emerged, which are now well-established and are developing independently (to name a few: generative models, unrolled techniques, Plug and Play schemes), it is possible to provide a unifying overview of them from the point of view of statistical learning theory [20]. In this context, the goal pursued by this paper is twofold. On the one side, it aims to provide a general theoretical framework in statistical learning that is able to comprehend a large family of data-driven reconstruction methods.


Deep de Finetti: Recovering Topic Distributions from Large Language Models

arXiv.org Machine Learning

Large language models (LLMs) can produce long, coherent passages of text, suggesting that LLMs, although trained on next-word prediction, must represent the latent structure that characterizes a document. Prior work has found that internal representations of LLMs encode one aspect of latent structure, namely syntax; here we investigate a complementary aspect, namely the document's topic structure. We motivate the hypothesis that LLMs capture topic structure by connecting LLM optimization to implicit Bayesian inference. De Finetti's theorem shows that exchangeable probability distributions can be represented as a mixture with respect to a latent generating distribution. Although text is not exchangeable at the level of syntax, exchangeability is a reasonable starting assumption for topic structure. We thus hypothesize that predicting the next token in text will lead LLMs to recover latent topic distributions. We examine this hypothesis using Latent Dirichlet Allocation (LDA), an exchangeable probabilistic topic model, as a target, and we show that the representations formed by LLMs encode both the topics used to generate synthetic data and those used to explain natural corpus data.


Log-Gaussian Gamma Processes for Training Bayesian Neural Networks in Raman and CARS Spectroscopies

arXiv.org Machine Learning

We propose an approach utilizing gamma-distributed random variables, coupled with log-Gaussian modeling, to generate synthetic datasets suitable for training neural networks. This addresses the challenge of limited real observations in various applications. We apply this methodology to both Raman and coherent anti-Stokes Raman scattering (CARS) spectra, using experimental spectra to estimate gamma process parameters. Parameter estimation is performed using Markov chain Monte Carlo methods, yielding a full Bayesian posterior distribution for the model which can be sampled for synthetic data generation. Additionally, we model the additive and multiplicative background functions for Raman and CARS with Gaussian processes. We train two Bayesian neural networks to estimate parameters of the gamma process which can then be used to estimate the underlying Raman spectrum and simultaneously provide uncertainty through the estimation of parameters of a probability distribution. We apply the trained Bayesian neural networks to experimental Raman spectra of phthalocyanine blue, aniline black, naphthol red, and red 264 pigments and also to experimental CARS spectra of adenosine phosphate, fructose, glucose, and sucrose. The results agree with deterministic point estimates for the underlying Raman and CARS spectral signatures.