16 accepted papers
Inferring dynamics from population snapshots is a fundamental challenge in machine learning and biology. In scRNA-sequencing (scRNA-seq), destructive measurements preclude direct tracking of individual cells across time, making trajectory inference underdetermined. Optimal Transport (OT) provides a …
Mathematical modeling is the process of understanding and predicting complex real-world phenomena. Traditionally, it is a time-intensive effort reliant on deep human expertise and iterative refinement. Automating this intricate process, therefore, offers the potential to significantly accelerate d…
Despite the impressive performance of large language models (LLMs) across various benchmarks, their ability to address ambiguously specified problems—frequent in real-world interactions—remains underexplored. To address this gap, we introduce a formal definition of task ambiguity and frame the probl…
Mathematical optimization is fundamental to decision-making across diverse domains, from operations research to healthcare. Yet, translating real-world problems into optimization models remains a difficult task, often demanding specialized expertise. This paper approaches the problem of $\textit{aut…
Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face limitations such as suboptimal solutions from greedy methods or p…
Self-improving agents aim to continuously acquire new capabilities with minimal supervision. However, current approaches face two key limitations: their self-improvement processes are often rigid, fail to generalize across tasks domains, and struggle to scale with increasing agent capabilities. We a…
Conducting experiments and gathering data for machine learning models is a complex and expensive endeavor, particularly when confronted with limited information. Typically, extensive _experiments_ to obtain features and labels come with a significant acquisition cost, making it impractical to carry…
Digital Twins (DTs) are computational models that simulate the states and temporal dynamics of real-world systems, playing a crucial role in prediction, understanding, and decision-making across diverse domains. However, existing approaches to DTs often struggle to generalize to unseen conditions in…
The discovery of dynamical systems is crucial across a range of fields, including pharmacology, epidemiology, and physical sciences. *Accurate* and *interpretable* modeling of these systems is essential for understanding complex temporal processes, optimizing interventions, and minimizing adverse ef…
Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on efficiently balancing exploration and exploitation. While t…
Transparent machine learning (ML) models are essential for ensuring interpretability and trustworthiness in decision-making systems, particularly in high-stakes domains such as healthcare, finance, and criminal justice. While transparent machine learning models have been proposed for classification…
Deep generative models learn highly complex and non-linear representations to generate realistic synthetic data. While they have achieved notable success in computer vision and natural language processing, similar advances have been less demonstrable in the tabular domain. This is partially because…
Ensembles of machine learning models have been well established as a powerful method of improving performance over a single model. Traditionally, ensembling algorithms train their base learners independently or sequentially with the goal of optimizing their joint performance. In the case of deep ens…
This paper addresses unsupervised representation learning on tabular data containing multiple views generated by distinct sources of measurement. Traditional methods, which tackle this problem using the multi-view framework, are constrained by predefined assumptions that assume feature sets share th…
Despite their success with unstructured data, deep neural networks are not yet a panacea for structured tabular data. In the tabular domain, their efficiency crucially relies on various forms of regularization to prevent overfitting and provide strong generalization performance. Existing regularizat…
Consider the problem of imputing missing values in a dataset. One the one hand, conventional approaches using iterative imputation benefit from the simplicity and customizability of learning conditional distributions directly, but suffer from the practical requirement for appropriate model specifica…