Generative Flow Networks (GFlowNets) are amortized inference models designed to sample from unnormalized distributions over composable objects, with applications in generative modeling for tasks in fields such as causal discovery, NLP, and drug discovery. Traditionally, the training procedure for GFlowNets seeks to minimize the expected log-squared difference between a proposal (forward policy) and a target (backward policy) distribution, which enforces certain flow-matching conditions. While this training procedure is closely related to variational inference (VI), directly attempting standard Kullback-Leibler (KL) divergence minimization can lead to proven biased and potentially high-variance estimators. Therefore, we first review four divergence measures, namely, Renyi-$\alpha$'s, Tsallis-$\alpha$'s, reverse and forward KL's, and design statistically efficient estimators for their stochastic gradients in the context of training GFlowNets. Then, we verify that properly minimizing these divergences yields a provably correct and empirically effective training scheme, often leading to significantly faster convergence than previously proposed optimization. To achieve this, we design control variates based on the REINFORCE leave-one-out and score-matching estimators to reduce the variance of the learning objectives' gradients. Our work contributes by narrowing the gap between GFlowNets training and generalized variational approximations, paving the way for algorithmic ideas informed by the divergence minimization viewpoint.

Data assimilation will be essential for the management and expansion of geological carbon storage operations. In traditional data assimilation approaches a fixed set of geological hyperparameters, such as mean and standard deviation of log-permeability, is often assumed. Such hyperparameters, however, may be highly uncertain in practical CO2 storage applications. In this study, we develop a hierarchical data assimilation framework for carbon storage that treats hyperparameters as uncertain variables characterized by hyperprior distributions. To deal with the computationally intractable likelihood function in hyperparameter estimation, we apply a likelihood-free (or simulation-based) inference algorithm, specifically sequential Monte Carlo-based approximate Bayesian computation (SMC-ABC), to draw independent posterior samples of hyperparameters given dynamic monitoring-well data. In the second step we use an ensemble smoother with multiple data assimilation (ESMDA) procedure to provide posterior realizations of grid-block permeability. To reduce computational costs, a 3D recurrent R-U-Net deep-learning surrogate model is applied for forward function evaluations. The accuracy of the surrogate model is established through comparisons to high-fidelity simulation results. A rejection sampling (RS) procedure for data assimilation is applied to provide reference posterior results. Detailed data assimilation results from SMC-ABC-ESMDA are compared to those from the reference RS method. These include marginal posterior distributions of hyperparameters, pairwise posterior samples, and history matching results for pressure and saturation at the monitoring location. Close agreement is achieved with 'converged' RS results, for two synthetic true models, in all quantities considered. Importantly, the SMC-ABC-ESMDA procedure provides speedup of 1-2 orders of magnitude relative to RS for the two cases.

Due to the rising awareness of privacy protection and the voluminous scale of speech data, it is becoming infeasible for Automatic Speech Recognition (ASR) system developers to train the acoustic model with complete data as before. For example, the data may be owned by different curators, and it is not allowed to share with others. In this paper, we propose a novel paradigm to solve salient problems plaguing the ASR field. In the first stage, multiple acoustic models are trained based upon different subsets of the complete speech data, while in the second phase, two novel algorithms are utilized to generate a high-quality acoustic model based upon those trained on data subsets. We first propose the Genetic Merge Algorithm (GMA), which is a highly specialized algorithm for optimizing acoustic models but suffers from low efficiency. We further propose the SGD-Based Optimizational Merge Algorithm (SOMA), which effectively alleviates the efficiency bottleneck of GMA and maintains superior model accuracy. Extensive experiments on public data show that the proposed methods can significantly outperform the state-of-the-art. Furthermore, we introduce Shapley Value to estimate the contribution score of the trained models, which is useful for evaluating the effectiveness of the data and providing fair incentives to their curators.

AI fairness seeks to improve the transparency and explainability of AI systems by ensuring that their outcomes genuinely reflect the best interests of users. Data augmentation, which involves generating synthetic data from existing datasets, has gained significant attention as a solution to data scarcity. In particular, diffusion models have become a powerful technique for generating synthetic data, especially in fields like computer vision. This paper explores the potential of diffusion models to generate synthetic tabular data to improve AI fairness. The Tabular Denoising Diffusion Probabilistic Model (Tab-DDPM), a diffusion model adaptable to any tabular dataset and capable of handling various feature types, was utilized with different amounts of generated data for data augmentation. Additionally, reweighting samples from AIF360 was employed to further enhance AI fairness. Five traditional machine learning models-Decision Tree (DT), Gaussian Naive Bayes (GNB), K-Nearest Neighbors (KNN), Logistic Regression (LR), and Random Forest (RF)-were used to validate the proposed approach. Experimental results demonstrate that the synthetic data generated by Tab-DDPM improves fairness in binary classification.

Concept Bottleneck Models (CBMs) have been proposed as a compromise between white-box and black-box models, aiming to achieve interpretability without sacrificing accuracy. The standard training procedure for CBMs is to predefine a candidate set of human-interpretable concepts, extract their values from the training data, and identify a sparse subset as inputs to a transparent prediction model. However, such approaches are often hampered by the tradeoff between enumerating a sufficiently large set of concepts to include those that are truly relevant versus controlling the cost of obtaining concept extractions. This work investigates a novel approach that sidesteps these challenges: BC-LLM iteratively searches over a potentially infinite set of concepts within a Bayesian framework, in which Large Language Models (LLMs) serve as both a concept extraction mechanism and prior. BC-LLM is broadly applicable and multi-modal. Despite imperfections in LLMs, we prove that BC-LLM can provide rigorous statistical inference and uncertainty quantification. In experiments, it outperforms comparator methods including black-box models, converges more rapidly towards relevant concepts and away from spuriously correlated ones, and is more robust to out-of-distribution samples.

Amortized meta-learning methods based on pre-training have propelled fields like natural language processing and vision. Transformer-based neural processes and their variants are leading models for probabilistic meta-learning with a tractable objective. Often trained on synthetic data, these models implicitly capture essential latent information in the data-generation process. However, existing methods do not allow users to flexibly inject (condition on) and extract (predict) this probabilistic latent information at runtime, which is key to many tasks. We introduce the Amortized Conditioning Engine (ACE), a new transformer-based meta-learning model that explicitly represents latent variables of interest. ACE affords conditioning on both observed data and interpretable latent variables, the inclusion of priors at runtime, and outputs predictive distributions for discrete and continuous data and latents. We show ACE's modeling flexibility and performance in diverse tasks such as image completion and classification, Bayesian optimization, and simulation-based inference.

Count data is prevalent in various fields like ecology, medical research, and genomics. In high-dimensional settings, where the number of features exceeds the sample size, feature selection becomes essential. While frequentist methods like Lasso have advanced in handling high-dimensional count data, Bayesian approaches remain under-explored with no theoretical results on prediction performance. This paper introduces a novel probabilistic machine learning framework for high-dimensional count data prediction. We propose a pseudo-Bayesian method that integrates a scaled Student prior to promote sparsity and uses an exponential weight aggregation procedure. A key contribution is a novel risk measure tailored to count data prediction, with theoretical guarantees for prediction risk using PAC-Bayesian bounds. Our results include non-asymptotic oracle inequalities, demonstrating rate-optimal prediction error without prior knowledge of sparsity. We implement this approach efficiently using Langevin Monte Carlo method. Simulations and a real data application highlight the strong performance of our method compared to the Lasso in various settings.

Bayesian inference provides a principled probabilistic framework for quantifying uncertainty by updating beliefs based on prior knowledge and observed data through Bayes' theorem. In Bayesian deep learning, neural network weights are treated as random variables with prior distributions, allowing for a probabilistic interpretation and quantification of predictive uncertainty. However, Bayesian methods lack theoretical generalization guarantees for unseen data. PAC-Bayesian analysis addresses this limitation by offering a frequentist framework to derive generalization bounds for randomized predictors, thereby certifying the reliability of Bayesian methods in machine learning. Temperature $T$, or inverse-temperature $\lambda = \frac{1}{T}$, originally from statistical mechanics in physics, naturally arises in various areas of statistical inference, including Bayesian inference and PAC-Bayesian analysis. In Bayesian inference, when $T < 1$ (``cold'' posteriors), the likelihood is up-weighted, resulting in a sharper posterior distribution. Conversely, when $T > 1$ (``warm'' posteriors), the likelihood is down-weighted, leading to a more diffuse posterior distribution. By balancing the influence of observed data and prior regularization, temperature adjustments can address issues of underfitting or overfitting in Bayesian models, bringing improved predictive performance.

Multi-objective Markov Decision Processes (MDPs) are receiving increasing attention, as real-world decision-making problems often involve conflicting objectives that cannot be addressed by a single-objective MDP. The Pareto front identifies the set of policies that cannot be dominated, providing a foundation for finding optimal solutions that can efficiently adapt to various preferences. However, finding the Pareto front is a highly challenging problem. Most existing methods either (i) rely on traversing the continuous preference space, which is impractical and results in approximations that are difficult to evaluate against the true Pareto front, or (ii) focus solely on deterministic Pareto optimal policies, from which there are no known techniques to characterize the full Pareto front. Moreover, finding the structure of the Pareto front itself remains unclear even in the context of dynamic programming. This work addresses the challenge of efficiently discovering the Pareto front. By investigating the geometric structure of the Pareto front in MO-MDP, we uncover a key property: the Pareto front is on the boundary of a convex polytope whose vertices all correspond to deterministic policies, and neighboring vertices of the Pareto front differ by only one state-action pair of the deterministic policy, almost surely. This insight transforms the global comparison across all policies into a localized search among deterministic policies that differ by only one state-action pair, drastically reducing the complexity of searching for the exact Pareto front. We develop an efficient algorithm that identifies the vertices of the Pareto front by solving a single-objective MDP only once and then traversing the edges of the Pareto front, making it more efficient than existing methods. Our empirical studies demonstrate the effectiveness of our theoretical strategy in discovering the Pareto front.

The integration of machine learning into smart grid systems represents a transformative step in enhancing the efficiency, reliability, and sustainability of modern energy networks. By adding advanced data analytics, these systems can better manage the complexities of renewable energy integration, demand response, and predictive maintenance. Machine learning algorithms analyze vast amounts of data from smart meters, sensors, and other grid components to optimize energy distribution, forecast demand, and detect irregularities that could indicate potential failures. This enables more precise load balancing, reduces operational costs, and enhances the resilience of the grid against disturbances. Furthermore, the use of predictive models helps in anticipating equipment failures, thereby improving the reliability of the energy supply. As smart grids continue to evolve, the role of machine learning in managing decentralized energy sources and enabling real-time decision-making will become increasingly critical. However, the deployment of these technologies also raises challenges related to data privacy, security, and the need for robust infrastructure. Addressing these issues in this research authors will focus on realizing the full potential of smart grids, ensuring they meet the growing energy demands while maintaining a focus on sustainability and efficiency using Machine Learning techniques. Furthermore, this research will help determine the smart grid's essentiality with the aid of Machine Learning. Multiple ML algorithms have been integrated along with their pros and cons. The future scope of these algorithms are also integrated.