Related papers: Distribution Learning for Molecular Regression

Existing core-set selection methods predominantly rely on heuristic scoring signals such as training dynamics or model uncertainty, lacking explicit modeling of data likelihood. This omission may hinder the constructed subset from capturing…

Generative Artificial Intelligence (GenAI) models, with their powerful feature learning capabilities, have been applied in many fields. In mobile wireless communications, GenAI can dynamically optimize the network to enhance the user…

Previous multi-task dense prediction methods based on the Mixture of Experts (MoE) have received great performance but they neglect the importance of explicitly modeling the global relations among all tasks. In this paper, we present a…

To train machine learning models that are robust to distribution shifts in the data, distributionally robust optimization (DRO) has been proven very effective. However, the existing approaches to learning a distributionally robust model…

Mixture of experts (MoE) model is a statistical machine learning design that aggregates multiple expert networks using a softmax gating function in order to form a more intricate and expressive model. Despite being commonly used in several…

As machine learning models are deployed ever more broadly, it becomes increasingly important that they are not only able to perform well on their training distribution, but also yield accurate predictions when confronted with distribution…

Using offline observational data for policy evaluation and learning allows decision-makers to evaluate and learn a policy that connects characteristics and interventions. Most existing literature has focused on either discrete treatment…

Understanding consumer choice is fundamental to marketing and management research, as firms increasingly seek to personalize offerings and optimize customer engagement. Traditional choice modeling frameworks, such as multinomial logit (MNL)…

Deep learning has proven to be a highly effective tool for a wide range of applications, significantly when leveraging the power of multi-loss functions to optimize performance on multiple criteria simultaneously. However, optimal selection…

To address the needs of modeling uncertainty in sensitive machine learning applications, the setup of distributionally robust optimization (DRO) seeks good performance uniformly across a variety of tasks. The recent multi-distribution…

Mixture-of-Experts (MoE) models improve the scalability of large language models (LLMs) by activating only a small subset of relevant experts per input. However, the sheer number of expert networks in an MoE model introduces a significant…

Soft targets combined with the cross-entropy loss have shown to improve generalization performance of deep neural networks on supervised classification tasks. The standard cross-entropy loss however assumes data to be categorically…

Machine Learning Interatomic Potentials (MLIPs) enable accurate large-scale atomistic simulations, yet improving their expressive capacity efficiently remains challenging. Here we systematically develop Mixture-of-Experts (MoE) and…

Sparsely activated Mixture-of-Experts (SMoE) has shown promise in scaling up the learning capacity of neural networks. However, vanilla SMoEs have issues such as expert redundancy and heavy memory requirements, making them inefficient and…

Dense-to-sparse gating mixture of experts (MoE) has recently become an effective alternative to a well-known sparse MoE. Rather than fixing the number of activated experts as in the latter model, which could limit the investigation of…

Multilingual neural machine translation (MNMT) learns to translate multiple language pairs with a single model, potentially improving both the accuracy and the memory-efficiency of deployed models. However, the heavy data imbalance between…

Probabilistic regression models the entire predictive distribution of a response variable, offering richer insights than classical point estimates and directly allowing for uncertainty quantification. While diffusion-based generative models…

Recent studies have revealed the vulnerability of Deep Neural Networks (DNNs) to adversarial examples, which can easily fool DNNs into making incorrect predictions. To mitigate this deficiency, we propose a novel adversarial defense method…

Language models are generally trained on data spanning a wide range of topics (e.g., news, reviews, fiction), but they might be applied to an a priori unknown target distribution (e.g., restaurant reviews). In this paper, we first show that…

Debiased machine learning estimators for smooth functionals in nonparametric models can exhibit substantial variability and instability, often leading practitioners to instead rely on parametric or semiparametric working models. Such…