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In recent years, despite significant advancements in adversarial attack research, the security challenges in cross-modal scenarios, such as the transferability of adversarial attacks between infrared, thermal, and RGB images, have been overlooked. These heterogeneous image modalities collected by different hardware devices are widely prevalent in practical applications, and the substantial differences between modalities pose significant challenges to attack transferability. In this work, we explore a novel cross-modal adversarial attack strategy, termed multiform attack. We propose a dual-layer optimization framework based on gradient-evolution, facilitating efficient perturbation transfer between modalities. In the first layer of optimization, the framework utilizes image gradients to learn universal perturbations within each modality and employs evolutionary algorithms to search for shared perturbations with transferability across different modalities through secondary optimization. Through extensive testing on multiple heterogeneous datasets, we demonstrate the superiority and robustness of Multiform Attack compared to existing techniques. This work not only enhances the transferability of cross-modal adversarial attacks but also provides a new perspective for understanding security vulnerabilities in cross-modal systems.

4D content generation focuses on creating dynamic 3D objects that change over time. Existing methods primarily rely on pre-trained video diffusion models, utilizing sampling processes or reference videos. However, these approaches face significant challenges. Firstly, the generated 4D content often fails to adhere to real-world physics since video diffusion models do not incorporate physical priors. Secondly, the extensive sampling process and the large number of parameters in diffusion models result in exceedingly time-consuming generation processes. To address these issues, we introduce Phy124, a novel, fast, and physics-driven method for controllable 4D content generation from a single image. Phy124 integrates physical simulation directly into the 4D generation process, ensuring that the resulting 4D content adheres to natural physical laws. Phy124 also eliminates the use of diffusion models during the 4D dynamics generation phase, significantly speeding up the process. Phy124 allows for the control of 4D dynamics, including movement speed and direction, by manipulating external forces. Extensive experiments demonstrate that Phy124 generates high-fidelity 4D content with significantly reduced inference times, achieving stateof-the-art performance. The code and generated 4D content are available at the provided link: https://anonymous.4open.science/r/BBF2/.

Neural network solvers for partial differential equations (PDEs) have made significant progress, yet they continue to face challenges related to data scarcity and model robustness. Traditional data augmentation methods, which leverage symmetry or invariance, impose strong assumptions on physical systems that often do not hold in dynamic and complex real-world applications. To address this research gap, this study introduces a universal learning strategy for neural network PDEs, named Systematic Model Augmentation for Robust Training (SMART). By focusing on challenging and improving the model's weaknesses, SMART reduces generalization error during training under data-scarce conditions, leading to significant improvements in prediction accuracy across various PDE scenarios. The effectiveness of the proposed method is demonstrated through both theoretical analysis and extensive experimentation. The code will be available.

While image-to-text models have demonstrated significant advancements in various vision-language tasks, they remain susceptible to adversarial attacks. Existing white-box attacks on image-to-text models require access to the architecture, gradients, and parameters of the target model, resulting in low practicality. Although the recently proposed gray-box attacks have improved practicality, they suffer from semantic loss during the training process, which limits their targeted attack performance. To advance adversarial attacks of image-to-text models, this paper focuses on a challenging scenario: decision-based black-box targeted attacks where the attackers only have access to the final output text and aim to perform targeted attacks. Specifically, we formulate the decision-based black-box targeted attack as a large-scale optimization problem. To efficiently solve the optimization problem, a three-stage process \textit{Ask, Attend, Attack}, called \textit{AAA}, is proposed to coordinate with the solver. \textit{Ask} guides attackers to create target texts that satisfy the specific semantics. \textit{Attend} identifies the crucial regions of the image for attacking, thus reducing the search space for the subsequent \textit{Attack}. \textit{Attack} uses an evolutionary algorithm to attack the crucial regions, where the attacks are semantically related to the target texts of \textit{Ask}, thus achieving targeted attacks without semantic loss. Experimental results on transformer-based and CNN+RNN-based image-to-text models confirmed the effectiveness of our proposed \textit{AAA}.

Crystalline materials, with their symmetrical and periodic structures, possess a diverse array of properties and have been widely used in various fields, ranging from electronic devices to energy applications. To discover crystalline materials, traditional experimental and computational approaches are often time-consuming and expensive. In these years, thanks to the explosive amount of crystalline materials data, great interest has been given to data-driven materials discovery. Particularly, recent advancements have exploited the expressive representation ability of deep learning to model the highly complex atomic systems within crystalline materials, opening up new avenues for fast and accurate materials discovery. These works typically focus on four types of tasks, including physicochemical property prediction, crystalline material synthesis, aiding characterization, and accelerating theoretical computations. Despite the remarkable progress, there is still a lack of systematic research to summarize their correlations, distinctions, and limitations. To fill this gap, we systematically investigated the progress made in deep learning-based material discovery in recent years. We first introduce several data representations of the crystalline materials. Based on the representations, we summarize various fundamental deep learning models and their tailored usages in material discovery tasks. We also point out the remaining challenges and propose several future directions. This review offers comprehensive and valuable insights, and fosters progress in the intersection of artificial intelligence and material science.

Providing explainable molecular property predictions is critical for many scientific domains, such as drug discovery and material science. Though transformer-based language models have shown great potential in accurate molecular property prediction, they neither provide chemically meaningful explanations nor faithfully reveal the molecular structure-property relationships. In this work, we develop a framework for explainable molecular property prediction based on language models, dubbed as Lamole, which can provide chemical concepts-aligned explanations. We take a string-based molecular representation -- Group SELFIES -- as input tokens to pretrain and fine-tune our Lamole, as it provides chemically meaningful semantics. By disentangling the information flows of Lamole, we propose combining self-attention weights and gradients for better quantification of each chemically meaningful substructure's impact on the model's output. To make the explanations more faithfully respect the structure-property relationship, we then carefully craft a marginal loss to explicitly optimize the explanations to be able to align with the chemists' annotations. We bridge the manifold hypothesis with the elaborated marginal loss to prove that the loss can align the explanations with the tangent space of the data manifold, leading to concept-aligned explanations. Experimental results over six mutagenicity datasets and one hepatotoxicity dataset demonstrate Lamole can achieve comparable classification accuracy and boost the explanation accuracy by up to 14.3%, being the state-of-the-art in explainable molecular property prediction.

While graph neural networks (GNNs) have become the de-facto standard for graph-based node classification, they impose a strong assumption on the availability of sufficient labeled samples. This assumption restricts the classification performance of prevailing GNNs on many real-world applications suffering from low-data regimes. Specifically, features extracted from scarce labeled nodes could not provide sufficient supervision for the unlabeled samples, leading to severe over-fitting. In this work, we point out that leveraging subgraphs to capture long-range dependencies can augment the representation of a node with homophily properties, thus alleviating the low-data regime. However, prior works leveraging subgraphs fail to capture the long-range dependencies among nodes. To this end, we present a novel self-supervised learning framework, called multi-view subgraph neural networks (Muse), for handling long-range dependencies. In particular, we propose an information theory-based identification mechanism to identify two types of subgraphs from the views of input space and latent space, respectively. The former is to capture the local structure of the graph, while the latter captures the long-range dependencies among nodes. By fusing these two views of subgraphs, the learned representations can preserve the topological properties of the graph at large, including the local structure and long-range dependencies, thus maximizing their expressiveness for downstream node classification tasks. Experimental results show that Muse outperforms the alternative methods on node classification tasks with limited labeled data.

Large-scale multiobjective optimization problems (LSMOPs) are characterized as involving hundreds or even thousands of decision variables and multiple conflicting objectives. An excellent algorithm for solving LSMOPs should find Pareto-optimal solutions with diversity and escape from local optima in the large-scale search space. Previous research has shown that these optimal solutions are uniformly distributed on the manifold structure in the low-dimensional space. However, traditional evolutionary algorithms for solving LSMOPs have some deficiencies in dealing with this structural manifold, resulting in poor diversity, local optima, and inefficient searches. In this work, a generative adversarial network (GAN)-based manifold interpolation framework is proposed to learn the manifold and generate high-quality solutions on this manifold, thereby improving the performance of evolutionary algorithms. We compare the proposed algorithm with several state-of-the-art algorithms on large-scale multiobjective benchmark functions. Experimental results have demonstrated the significant improvements achieved by this framework in solving LSMOPs.

A Vector Auto-Regressive (VAR) model is commonly used to model multivariate time series, and there are many penalized methods to handle high dimensionality. However in terms of spatio-temporal data, most methods do not take the spatial and temporal structure of the data into consideration, which may lead to unreliable network detection and inaccurate forecasts. This paper proposes a data-driven weighted l1 regularized approach for spatio-temporal VAR model. Extensive simulation studies are carried out to compare the proposed method with four existing methods of high-dimensional VAR model, demonstrating improvements of our method over others in parameter estimation, network detection and out-of-sample forecasts. We also apply our method on a traffic data set to evaluate its performance in real application. In addition, we explore the theoretical properties of l1 regularized estimation of VAR model under the weakly sparse scenario, in which the exact sparsity can be viewed as a special case. To the best of our knowledge, this direction has not been considered yet in the literature. For general stationary VAR process, we derive the non-asymptotic upper bounds on l1 regularized estimation errors under the weakly sparse scenario, provide the conditions of estimation consistency, and further simplify these conditions for a special VAR(1) case.

In the data-rich environment, using many economic predictors to forecast a few key variables has become a new trend in econometrics. The commonly used approach is factor augment (FA) approach. In this paper, we pursue another direction, variable selection (VS) approach, to handle high-dimensional predictors. VS is an active topic in statistics and computer science. However, it does not receive as much attention as FA in economics. This paper introduces several cutting-edge VS methods to economic forecasting, which includes: (1) classical greedy procedures; (2) l1 regularization; (3) gradient descent with sparsification and (4) meta-heuristic algorithms. Comprehensive simulation studies are conducted to compare their variable selection accuracy and prediction performance under different scenarios. Among the reviewed methods, a meta-heuristic algorithm called sequential Monte Carlo algorithm performs the best. Surprisingly the classical forward selection is comparable to it and better than other more sophisticated algorithms. In addition, we apply these VS methods on economic forecasting and compare with the popular FA approach. It turns out for employment rate and CPI inflation, some VS methods can achieve considerable improvement over FA, and the selected predictors can be well explained by economic theories.

This paper provides a thorough analysis on the dynamic structures and predictability of China's Consumer Price Index (CPI-CN), with a comparison to those of the United States. Despite the differences in the two leading economies, both series can be well modeled by a class of Seasonal Autoregressive Integrated Moving Average Model with Covariates (S-ARIMAX). The CPI-CN series possess regular patterns of dynamics with stable annual cycles and strong Spring Festival effects, with fitting and forecasting errors largely comparable to their US counterparts. Finally, for the CPI-CN, the diffusion index (DI) approach offers improved predictions than the S-ARIMAX models.

Dynamic multi-objective optimization problems (DMOPs) remain a challenge to be settled, because of conflicting objective functions change over time. In recent years, transfer learning has been proven to be a kind of effective approach in solving DMOPs. In this paper, a novel transfer learning based dynamic multi-objective optimization algorithm (DMOA) is proposed called regression transfer learning prediction based DMOA (RTLP-DMOA). The algorithm aims to generate an excellent initial population to accelerate the evolutionary process and improve the evolutionary performance in solving DMOPs. When an environmental change is detected, a regression transfer learning prediction model is constructed by reusing the historical population, which can predict objective values. Then, with the assistance of this prediction model, some high-quality solutions with better predicted objective values are selected as the initial population, which can improve the performance of the evolutionary process. We compare the proposed algorithm with three state-of-the-art algorithms on benchmark functions. Experimental results indicate that the proposed algorithm can significantly enhance the performance of static multi-objective optimization algorithms and is competitive in convergence and diversity.