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  1. Abstract

    Storms operated by moist convection and the condensation of CH4or H2S have been observed on Uranus and Neptune. However, the mechanism of cloud formation, thermal structure, and mixing efficiency of ice giant weather layers remains unclear. In this paper, we show that moist convection is limited by heat transport on giant planets, especially on ice giants where planetary heat flux is weak. Latent heat associated with condensation and evaporation can efficiently bring heat across the weather layer through precipitations. This effect was usually neglected in previous studies without a complete hydrological cycle. We first derive analytical theories and show that the upper limit of cloud density is determined by the planetary heat flux and microphysics of clouds but is independent of the atmospheric composition. The eddy diffusivity of moisture depends on the planetary heat fluxes, atmospheric composition, and surface gravity but is not directly related to cloud microphysics. We then conduct convection- and cloud-resolving simulations with SNAP to validate our analytical theory. The simulated cloud density and eddy diffusivity are smaller than the results acquired from the equilibrium cloud condensation model and mixing length theory by several orders of magnitude but consistent with our analytical solutions. Meanwhile, the mass-loading effect of CH4and H2S leads to superadiabatic and stable weather layers. Our simulations produced three cloud layers that are qualitatively similar to recent observations. This study has important implications for cloud formation and eddy mixing in giant planet atmospheres in general and observations for future space missions and ground-based telescopes.

     
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  2. We present a single-shot detection method of terahertz correlated second harmonic generation in plasma-based sources by directly mixing an optical probe into femtosecond laser-induced plasma filaments in air. The single-shot second harmonic trace is obtained by measuring a second harmonic generation on a conventional CCD with a spatiotemporally distorted probe beam. The system shows a spectrometer resolution of 22 fs/pixel on the CCD and a true resolution on the order of the probe pulse duration. With considerable THz peak electric field strength, this formalism can open the door to single-shot THz detection without bandwidth limitations.

     
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  3. Rumor spreaders are increasingly utilizing multimedia content to attract the attention and trust of news consumers. Though quite a few rumor detection models have exploited the multi-modal data, they seldom consider the inconsistent semantics between images and texts, and rarely spot the inconsistency among the post contents and background knowledge. In addition, they commonly assume the completeness of multiple modalities and thus are incapable of handling handle missing modalities in real-life scenarios. Motivated by the intuition that rumors in social media are more likely to have inconsistent semantics, a novel Knowledge-guided Dual-consistency Network is proposed to detect rumors with multimedia contents. It uses two consistency detection subnetworks to capture the inconsistency at the cross-modal level and the content-knowledge level simultaneously. It also enables robust multi-modal representation learning under different missing visual modality conditions, using a special token to discriminate between posts with visual modality and posts without visual modality. Extensive experiments on three public real-world multimedia datasets demonstrate that our framework can outperform the state-of-the-art baselines under both complete and incomplete modality conditions. 
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    Free, publicly-accessible full text available December 1, 2024
  4. User-generated product reviews are essential for online platforms like Amazon and Yelp. However, the presence of fake reviews misleads customers. GNN is the state-of-the-art method that detects suspicious reviewers by exploiting the topologies of the graph connecting reviewers, reviews, and products. Nevertheless, the discrepancy in the detection accuracy over different groups of reviewers degrades reviewer engagement and customer trust in the review websites. Unlike the previous belief that the difference between the groups causes unfairness, we study the subgroup structures within the groups that can also cause discrepancies in treating different groups. This paper addresses the challenges of defining, approximating, and utilizing a new subgroup structure for fair spam detection. We first identify subgroup structures in the review graph that lead to discrepant accuracy in the groups. The complex dependencies over the review graph create difficulties in teasing out subgroups hidden within larger groups. We design a model that can be trained to jointly infer the hidden subgroup memberships and exploits the membership for calibrating the detection accuracy across groups. Comprehensive comparisons against baselines on three large Yelp review datasets demonstrate that the subgroup membership can be identified and exploited for group fairness. 
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    Free, publicly-accessible full text available August 6, 2024
  5. Robust explanations of machine learning models are critical to establish human trust in the models. Due to limited cognition capability, most humans can only interpret the top few salient features. It is critical to make top salient features robust to adversarial attacks, especially those against the more vulnerable gradient-based explanations. Existing defense measures robustness using lp norms, which have weaker protection power. We define explanation thickness for measuring salient features ranking stability, and derive tractable surrogate bounds of the thickness to design the R2ET algorithm to efficiently maximize the thickness and anchor top salient features. Theoretically, we prove a connection between R2ET and adversarial training. Experiments with a wide spectrum of network architectures and data modalities, including brain networks, demonstrate that R2ET attains higher explanation robustness under stealthy attacks while retaining accuracy. 
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    Free, publicly-accessible full text available July 28, 2024
  6. Abstract

    With the progress of structural biology, the Protein Data Bank (PDB) has witnessed rapid accumulation of experimentally solved protein structures. Since many structures are determined with purification and crystallization additives that are unrelated to a protein's in vivo function, it is nontrivial to identify the subset of protein–ligand interactions that are biologically relevant. We developed the BioLiP2 database (https://zhanggroup.org/BioLiP) to extract biologically relevant protein–ligand interactions from the PDB database. BioLiP2 assesses the functional relevance of the ligands by geometric rules and experimental literature validations. The ligand binding information is further enriched with other function annotations, including Enzyme Commission numbers, Gene Ontology terms, catalytic sites, and binding affinities collected from other databases and a manual literature survey. Compared to its predecessor BioLiP, BioLiP2 offers significantly greater coverage of nucleic acid-protein interactions, and interactions involving large complexes that are unavailable in PDB format. BioLiP2 also integrates cutting-edge structural alignment algorithms with state-of-the-art structure prediction techniques, which for the first time enables composite protein structure and sequence-based searching and significantly enhances the usefulness of the database in structure-based function annotations. With these new developments, BioLiP2 will continue to be an important and comprehensive database for docking, virtual screening, and structure-based protein function analyses.

     
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  7. Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds to graph evolution. We propose a smooth parameterization of the GNN predicted distributions using axiomatic attribution, where the distributions are on a low-dimensional manifold within a high-dimensional embedding space. We exploit the differential geometric viewpoint to model distributional evolution as smooth curves on the manifold. We reparameterize families of curves on the manifold and design a convex optimization problem to find a unique curve that concisely approximates the distributional evolution for human interpretation. Extensive experiments on node classification, link prediction, and graph classification tasks with evolving graphs demonstrate the better sparsity, faithfulness, and intuitiveness of the proposed method over the state-of-the-art methods. 
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    Free, publicly-accessible full text available May 1, 2024
  8. Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds to graph evolution. We propose a smooth parameterization of the GNN predicted distributions using axiomatic attribution, where the distributions are on a low-dimensional manifold within a high-dimensional embedding space. We exploit the differential geometric viewpoint to model distributional evolution as smooth curves on the manifold. We reparameterize families of curves on the manifold and design a convex optimization problem to find a unique curve that concisely approximates the distributional evolution for human interpretation. Extensive experiments on node classification, link prediction, and graph classification tasks with evolving graphs demonstrate the better sparsity, faithfulness, and intuitiveness of the proposed method over the state-of-the-art methods. 
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    Free, publicly-accessible full text available May 1, 2024
  9. Free, publicly-accessible full text available September 1, 2024
  10. Graphs are widely found in social network analysis and e-commerce, where Graph Neural Networks (GNNs) are the state-of the-art model. GNNs can be biased due to sensitive attributes and network topology. With existing work that learns a fair node representation or adjacency matrix, achieving a strong guarantee of group fairness while preserving prediction accuracy is still challenging, with the fairness-accuracy trade-off remaining obscure to human decision-makers. We first define and analyze a novel upper bound of group fairness to optimize the adjacency matrix for fairness without significantly h arming prediction accuracy. To understand the nuance of fairness-accuracy tradeoff, we further propose macroscopic and microscopic explanation methods to reveal the trade-offs and the space that one can exploit. The macroscopic explanation method is based on stratified sampling and linear programming to deterministically explain the dynamics of the group fairness and prediction accuracy. Driving down to the microscopic level, we propose a path-based explanation that reveals how network topology leads to the tradeoff. On seven graph datasets, we demonstrate the novel upper bound can achieve more efficient fairness-accuracy trade-offs and the intuitiveness of the explanation methods can clearly pinpoint where the trade-off is improved. 
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