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

Conditional contrastive learning frameworks consider the conditional sampling procedure that constructs positive or negative data pairs conditioned on specific variables. Fair contrastive learning constructs negative pairs, for example,…

Trajectory modeling refers to characterizing human movement behavior, serving as a pivotal step in understanding mobility patterns. Nevertheless, existing studies typically ignore the confounding effects of geospatial context, leading to…

Structural Causal Models (SCMs) provide a popular causal modeling framework. In this work, we show that SCMs are not flexible enough to give a complete causal representation of dynamical systems at equilibrium. Instead, we propose a…

Selective conformal prediction can yield substantially tighter uncertainty sets when we can identify calibration examples that are exchangeable with the test example. In interventional settings, such as perturbation experiments in genomics,…

A fundamental challenge of recommendation systems (RS) is understanding the causal dynamics underlying users' decision making. Most existing literature addresses this problem by using causal structures inferred from domain knowledge.…

Structural Causal Models (SCMs) offer a principled framework to reason about interventions and support out-of-distribution generalization, which are key goals in scientific discovery. However, the task of learning SCMs from observed data…

Scaling laws have allowed Pre-trained Language Models (PLMs) into the field of causal reasoning. Causal reasoning of PLM relies solely on text-based descriptions, in contrast to causal discovery which aims to determine the causal…

Multimodal affective computing aims to predict humans' sentiment, emotion, intention, and opinion using language, acoustic, and visual modalities. However, current models often learn spurious correlations that harm generalization under…

[Context] Multi-agent reinforcement learning (MARL) has achieved notable success in environments where agents must learn coordinated behaviors. However, transferring knowledge across agents remains challenging in non-stationary environments…

Molecular representation learning (MRL) is a fundamental task for drug discovery. However, previous deep-learning (DL) methods focus excessively on learning robust inner-molecular representations by mask-dominated pretraining framework,…

QML-HCS is a research-grade framework for constructing and analyzing quantum-inspired machine learning models operating under hypercausal feedback dynamics. Hypercausal refers to AI systems that leverage extended, deep, or nonlinear causal…

Multimodal Large Language Models (MLLMs) have showcased exceptional Chain-of-Thought (CoT) reasoning ability in complex textual inference tasks including causal reasoning. However, will these causalities remain straightforward when crucial…

In online advertising, marketing mix modeling (MMM) is employed to predict the gross merchandise volume (GMV) of brand shops and help decision-makers to adjust the budget allocation of various advertising channels. Traditional MMM methods…

Large language models (LLMs) have shown great potential in decision-making due to the vast amount of knowledge stored within the models. However, these pre-trained models are prone to lack reasoning abilities and are difficult to adapt to…

The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Causal Structure Learning (CSL), also referred to as causal discovery, amounts to extracting causal relations among variables in data. CSL enables the estimation of causal effects from observational data alone, avoiding the need to perform…

Molecular relational learning (MRL) is crucial for understanding the interaction behaviors between molecular pairs, a critical aspect of drug discovery and development. However, the large feasible model space of MRL poses significant…

Machine learning (ML) can be used to construct surrogate models for the fast prediction of a property of interest. ML can thus be applied to chemical projects, where the usual experimentation or calculation techniques can take hours or days…

The ability to robustly identify causal relationships is essential for autonomous decision-making and adaptation to novel scenarios. However, accurately inferring causal structure requires integrating both world knowledge and abstract…

Causal knowledge is vital for effective reasoning in science, as causal relations, unlike correlations, allow one to reason about the outcomes of interventions. Algorithms that can discover causal relations from observational data are based…