相关论文: Shift-Robust Molecular Relational Learning with Ca…

The ability to understand causality significantly impacts the competence of large language models (LLMs) in output explanation and counterfactual reasoning, as causality reveals the underlying data distribution. However, the lack of a…

In the causal learning setting, we wish to learn cause-and-effect relationships between variables such that we can correctly infer the effect of an intervention. While the difference between a cyclic structure and an acyclic structure may…

Recent years have seen a surge of interest in learning high-level causal representations from low-level image pairs under interventions. Yet, existing efforts are largely limited to simple synthetic settings that are far away from…

How does a cause lead to an effect, and which intermediate causal steps explain their connection? This work scrutinizes the mechanistic causal reasoning capabilities of large language models (LLMs) to answer these questions through the task…

Medical report generation task, which targets to produce long and coherent descriptions of medical images, has attracted growing research interests recently. Different from the general image captioning tasks, medical report generation is…

Prediction of complete step-by-step chemical reaction mechanisms (CRMs) remains a major challenge. Whereas the traditional approaches in CRM tasks rely on expert-driven experiments or costly quantum chemical computations, contemporary deep…

Knowledge driven discovery of novel materials necessitates the development of the causal models for the property emergence. While in classical physical paradigm the causal relationships are deduced based on the physical principles or via…

A key challenge of continual reinforcement learning (CRL) in dynamic environments is to promptly adapt the RL agent's behavior as the environment changes over its lifetime, while minimizing the catastrophic forgetting of the learned…

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Model-based reinforcement learning (MBRL) is recognized with the potential to be significantly more sample-efficient than model-free RL. How an accurate model can be developed automatically and efficiently from raw sensory inputs (such as…

In this article, we describe the algorithms for causal structure learning from time series data that won the Causality 4 Climate competition at the Conference on Neural Information Processing Systems 2019 (NeurIPS). We examine how our…

This report introduces a novel class of reasoning architectures, termed Quantum Circuit Reasoning Models (QCRM), which extend the concept of Variational Quantum Circuits (VQC) from energy minimization and classification tasks to structured…

Long-term action recognition (LTAR) is challenging due to extended temporal spans with complex atomic action correlations and visual confounders. Although vision-language models (VLMs) have shown promise, they often rely on statistical…

Most of previous machine learning algorithms are proposed based on the i.i.d. hypothesis. However, this ideal assumption is often violated in real applications, where selection bias may arise between training and testing process. Moreover,…

In recent years, artificial intelligence has played an important role on accelerating the whole process of drug discovery. Various of molecular representation schemes of different modals (e.g. textual sequence or graph) are developed. By…

Why do reinforcement learning (RL) policies fail or succeed? This is a challenging question due to the complex, high-dimensional nature of agent-environment interactions. In this work, we take a causal perspective on explaining the behavior…

Out-of-distribution generalization is key to building models that remain reliable across diverse environments. Recent causality-based methods address this challenge by learning invariant causal relationships in the underlying…

We propose a mutual information-based sufficient representation learning (MSRL) approach, which uses the variational formulation of the mutual information and leverages the approximation power of deep neural networks. MSRL learns a…

Doubly robust learning offers a robust framework for causal inference from observational data by integrating propensity score and outcome modeling. Despite its theoretical appeal, practical adoption remains limited due to perceived…

Causal discovery is a structured prediction task that aims to predict causal relations among variables based on their data samples. Supervised Causal Learning (SCL) is an emerging paradigm in this field. Existing Deep Neural Network…