This study examines the potential causal relationship between head injury and the risk of developing Alzheimer's disease (AD) using Bayesian networks and regression models. Using a dataset of 2,149 patients, we analyze key medical history variables, including head injury history, memory complaints, cardiovascular disease, and diabetes. Logistic regression results suggest an odds ratio of 0.88 for head injury, indicating a potential but statistically insignificant protective effect against AD. In contrast, memory complaints exhibit a strong association with AD, with an odds ratio of 4.59. Linear regression analysis further confirms the lack of statistical significance for head injury (coefficient: -0.0245, p = 0.469) while reinforcing the predictive importance of memory complaints. These findings highlight the complex interplay of medical history factors in AD risk assessment and underscore the need for further research utilizing larger datasets and advanced causal modeling techniques.

We develop a novel method for personalized off-policy learning in scenarios with unobserved confounding. Thereby, we address a key limitation of standard policy learning: standard policy learning assumes unconfoundedness, meaning that no unobserved factors influence both treatment assignment and outcomes. However, this assumption is often violated, because of which standard policy learning produces biased estimates and thus leads to policies that can be harmful. To address this limitation, we employ causal sensitivity analysis and derive a statistically efficient estimator for a sharp bound on the value function under unobserved confounding. Our estimator has three advantages: (1) Unlike existing works, our estimator avoids unstable minimax optimization based on inverse propensity weighted outcomes. (2) Our estimator is statistically efficient. (3) We prove that our estimator leads to the optimal confounding-robust policy. Finally, we extend our theory to the related task of policy improvement under unobserved confounding, i.e., when a baseline policy such as the standard of care is available. We show in experiments with synthetic and real-world data that our method outperforms simple plug-in approaches and existing baselines. Our method is highly relevant for decision-making where unobserved confounding can be problematic, such as in healthcare and public policy.

Among other uses, neural networks are a powerful tool for solving deterministic and Bayesian inverse problems in real-time. In the Bayesian framework, variational autoencoders, a specialized type of neural network, enable the estimation of model parameters and their distribution based on observational data allowing to perform real-time inverse uncertainty quantification. In this work, we build upon existing research [Goh, H. et al., Proceedings of Machine Learning Research, 2022] by proposing a novel loss function to train variational autoencoders for Bayesian inverse problems. When the forward map is affine, we provide a theoretical proof of the convergence of the latent states of variational autoencoders to the posterior distribution of the model parameters. We validate this theoretical result through numerical tests and we compare the proposed variational autoencoder with the existing one in the literature. Finally, we test the proposed variational autoencoder on the Laplace equation.

Machine learning, the foundation of modern artificial intelligence, has driven innovations that have fundamentally transformed the world. Yet, behind advancements lies a complex and often tedious process requiring labor and compute intensive iteration and experimentation. Engineers and scientists developing machine learning models spend much of their time on trial-and-error tasks instead of conceptualizing innovative solutions or research hypotheses. To address this challenge, we introduce AI-Driven Exploration (AIDE), a machine learning engineering agent powered by large language models (LLMs). AIDE frames machine learning engineering as a code optimization problem, and formulates trial-anderror as a tree search in the space of potential solutions. By strategically reusing and refining promising solutions, AIDE effectively trades computational resources for enhanced performance, achieving state-of-the-art results on multiple machine learning engineering benchmarks, including our Kaggle evaluations, OpenAI's MLE-Bench and METR's RE-Bench. The implementation of AIDE is publicly available at https://github.com/WecoAI/aideml.

We propose a novel method for simulating conditioned diffusion processes (diffusion bridges) in Euclidean spaces. By training a neural network to approximate bridge dynamics, our approach eliminates the need for computationally intensive Markov Chain Monte Carlo (MCMC) methods or reverse-process modeling. Compared to existing methods, it offers greater robustness across various diffusion specifications and conditioning scenarios. This applies in particular to rare events and multimodal distributions, which pose challenges for score-learning- and MCMC-based approaches. We propose a flexible variational family for approximating the diffusion bridge path measure which is partially specified by a neural network. Once trained, it enables efficient independent sampling at a cost comparable to sampling the unconditioned (forward) process.

Reliably labelling data typically requires annotations from multiple human workers. However, humans are far from being perfect. Hence, it is a common practice to aggregate labels gathered from multiple annotators to make a more confident estimate of the true label. Among many aggregation methods, the simple and well known Majority Vote (MV) selects the class label polling the highest number of votes. However, despite its importance, the optimality of MV's label aggregation has not been extensively studied. We address this gap in our work by characterising the conditions under which MV achieves the theoretically optimal lower bound on label estimation error. Our results capture the tolerable limits on annotation noise under which MV can optimally recover labels for a given class distribution. This certificate of optimality provides a more principled approach to model selection for label aggregation as an alternative to otherwise inefficient practices that sometimes include higher experts, gold labels, etc., that are all marred by the same human uncertainty despite huge time and monetary costs. Experiments on both synthetic and real world data corroborate our theoretical findings.

We present a federated learning approach for Bayesian model-based clustering of large-scale binary and categorical datasets. We introduce a principled 'divide and conquer' inference procedure using variational inference with local merge and delete moves within batches of the data in parallel, followed by 'global' merge moves across batches to find global clustering structures. We show that these merge moves require only summaries of the data in each batch, enabling federated learning across local nodes without requiring the full dataset to be shared. Empirical results on simulated and benchmark datasets demonstrate that our method performs well in comparison to existing clustering algorithms. We validate the practical utility of the method by applying it to large scale electronic health record (EHR) data.

A comprehensive understanding of causality is critical for navigating and operating within today's complex real-world systems. The absence of realistic causal models with known data generating processes complicates fair benchmarking. In this paper, we present the CausalMan simulator, modeled after a real-world production line. The simulator features a diverse range of linear and non-linear mechanisms and challenging-to-predict behaviors, such as discrete mode changes. We demonstrate the inadequacy of many state-of-the-art approaches and analyze the significant differences in their performance and tractability, both in terms of runtime and memory complexity. As a contribution, we will release the CausalMan large-scale simulator. We present two derived datasets, and perform an extensive evaluation of both.

Integrating expert knowledge, e.g. from large language models, into causal discovery algorithms can be challenging when the knowledge is not guaranteed to be correct. Expert recommendations may contradict data-driven results, and their reliability can vary significantly depending on the domain or specific query. Existing methods based on soft constraints or inconsistencies in predicted causal relationships fail to account for these variations in expertise. To remedy this, we propose L2D-CD, a method for gauging the correctness of expert recommendations and optimally combining them with data-driven causal discovery results. By adapting learning-to-defer (L2D) algorithms for pairwise causal discovery (CD), we learn a deferral function that selects whether to rely on classical causal discovery methods using numerical data or expert recommendations based on textual meta-data. We evaluate L2D-CD on the canonical T\"ubingen pairs dataset and demonstrate its superior performance compared to both the causal discovery method and the expert used in isolation. Moreover, our approach identifies domains where the expert's performance is strong or weak. Finally, we outline a strategy for generalizing this approach to causal discovery on graphs with more than two variables, paving the way for further research in this area.

Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online shopping, scientific reasoning, and mathematical problem-solving. Unlike pure text data, collecting large-scale decision-making data is challenging. Moreover, many powerful LLMs are only accessible through APIs, which hinders their fine-tuning for agent tasks due to cost and complexity. To address LLM agents' limitations, we propose a framework that can automatically learn a reward model from the environment without human annotations. This model can be used to evaluate the action trajectories of LLM agents and provide heuristics for task planning. Specifically, our approach involves employing one LLM-based agent to navigate an environment randomly, generating diverse action trajectories. Subsequently, a separate LLM is leveraged to assign a task intent and synthesize a negative response alongside the correct response for each trajectory. These triplets (task intent, positive response, and negative response) are then utilized as training data to optimize a reward model capable of scoring action trajectories. The effectiveness and generalizability of our framework are demonstrated through evaluations conducted on different agent benchmarks. In conclusion, our proposed framework represents a significant advancement in enhancing LLM agents' decision-making capabilities. By automating the learning of reward models, we overcome the challenges of data scarcity and API limitations, potentially revolutionizing the application of LLMs in complex and interactive environments. This research paves the way for more sophisticated AI agents capable of tackling a wide range of real-world problems requiring multi-step decision-making.