Causal discovery from observational data is a fundamental task in artificial intelligence, with far-reaching implications for decision-making, predictions, and interventions. Despite significant advances, existing methods can be broadly categorized as constraint-based or score-based approaches. Constraint-based methods offer rigorous causal discovery but are often hindered by small sample sizes, while score-based methods provide flexible optimization but typically forgo explicit conditional independence testing. This work explores a third avenue: developing differentiable $d$-separation scores, obtained through a percolation theory using soft logic. This enables the implementation of a new type of causal discovery method: gradient-based optimization of conditional independence constraints. Empirical evaluations demonstrate the robust performance of our approach in low-sample regimes, surpassing traditional constraint-based and score-based baselines on a real-world dataset. Code implementing the proposed method is publicly available at [https://github.com/PurdueMINDS/DAGPA](https://github.com/PurdueMINDS/DAGPA).

Neural Network Quantum States (NNQS) offer a powerful variational Monte Carlo (VMC) approach for quantum many-body problems, balancing polynomial scaling with high expressive power. However, scaling NNQS to large chemical systems faces challenges in preserving accuracy with exact energy and managing vast configurations efficiently. In this work, we introduce NNQS-SCI, a high-performance Selected Configuration Interaction (SCI) based NNQS method designed to overcome these limitations. NNQS-SCI employs highly parallelized Slater-Condon rules for fast local energy evaluations, avoiding accuracy loss, while its adaptive SCI engine dynamically manages billions of configurations without space explosion or arbitrary cutoffs that plague other NNQS-CI approaches. Optimized for extreme scalability via multi-level parallelism and memory compression, NNQS-SCI successfully simulates systems up to 152 spin orbitals, tackling Hilbert space dimensions exceeding 1014 and demonstrating significant advances in scale and efficiency. NNQS-SCI thus provides a robust and scalable path towards high-accuracy quantum chemistry on high-performance computing platforms.

RNA modification is a post transcriptional modification that occurs in all organisms and plays a crucial role in the stages of RNA life, closely related to many life processes. As one of the newly discovered modifications, N1-methyladenosine (m1A) plays an important role in gene expression regulation, closely related to the occurrence and development of diseases. However, due to the low abundance of m1A, verifying the associations between m1As and diseases through wet experiments requires a great quantity of manpower and resources. In this study, we proposed a computational method for predicting the associations of RNA methylation and disease based on graph convolutional network (RMDGCN) with attention mechanism. We build an adjacency matrix through the collected m1As and diseases associations, and use positive-unlabeled learning to increase the number of positive samples. By extracting the features of m1As and diseases, a heterogeneous network is constructed, and a GCN with attention mechanism is adopted to predict the associations between m1As and diseases. The experimental results indicate that under a 5-fold cross validation, RMDGCN is superior to other methods (AUC = 0.9892 and AUPR = 0.8682). In addition, case studies indicate that RMDGCN can predict the relationships between unknown m1As and diseases. In summary, RMDGCN is an effective method for predicting the associations between m1As and diseases.

We investigate opportunities and challenges of running virtual reality (VR) studies remotely. Today, many consumers own head-mounted displays (HMDs), allowing them to participate in scientific studies from their homes using their own equipment. Researchers can benefit from this approach by being able to recruit study populations normally out of their reach, and to conduct research at times when it is difficult to get people into the lab (cf. the COVID pandemic). In an initial online survey ( N = 227), we assessed HMD owners’ demographics, their VR setups and their attitudes toward remote participation. We then identified different approaches to running remote studies and conducted two case studies for an in-depth understanding. We synthesize our findings into a framework for remote VR studies, discuss strengths and weaknesses of the different approaches, and derive best practices. Our work is valuable for Human-Computer Interaction (HCI) researchers conducting VR studies outside labs.