We present Neural Quantile Estimation (NQE), a novel Simulation-Based Inference (SBI) method based on conditional quantile regression. NQE autoregressively learns individual one dimensional quantiles for each posterior dimension, conditioned on the data and previous posterior dimensions. Posterior samples are obtained by interpolating the predicted quantiles using monotonic cubic Hermite spline, with specific treatment for the tail behavior and multi-modal distributions. We introduce an alternative definition for the Bayesian credible region using the local Cumulative Density Function (CDF), offering substantially faster evaluation than the traditional Highest Posterior Density Region (HPDR). In case of limited simulation budget and/or known model misspecification, a post-processing broadening step can be integrated into NQE to ensure the unbiasedness of the posterior estimation with negligible additional computational cost. We demonstrate that the proposed NQE method achieves state-of-the-art performance on a variety of benchmark problems.

Complex query answering (CQA) is an essential task for multi-hop and logical reasoning on knowledge graphs (KGs). Currently, most approaches are limited to queries among binary relational facts and pay less attention to n-ary facts (n>=2) containing more than two entities, which are more prevalent in the real world. Moreover, previous CQA methods can only make predictions for a few given types of queries and cannot be flexibly extended to more complex logical queries, which significantly limits their applications. To overcome these challenges, in this work, we propose a novel N-ary Query Embedding (NQE) model for CQA over hyper-relational knowledge graphs (HKGs), which include massive n-ary facts. The NQE utilizes a dual-heterogeneous Transformer encoder and fuzzy logic theory to satisfy all n-ary FOL queries, including existential quantifiers, conjunction, disjunction, and negation. We also propose a parallel processing algorithm that can train or predict arbitrary n-ary FOL queries in a single batch, regardless of the kind of each query, with good flexibility and extensibility. In addition, we generate a new CQA dataset WD50K-NFOL, including diverse n-ary FOL queries over WD50K. Experimental results on WD50K-NFOL and other standard CQA datasets show that NQE is the state-of-the-art CQA method over HKGs with good generalization capability. Our code and dataset are publicly available.