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We propose an approach utilizing gamma-distributed random variables, coupled with log-Gaussian modeling, to generate synthetic datasets suitable for training neural networks. This addresses the challenge of limited real observations in various applications. We apply this methodology to both Raman and coherent anti-Stokes Raman scattering (CARS) spectra, using experimental spectra to estimate gamma process parameters. Parameter estimation is performed using Markov chain Monte Carlo methods, yielding a full Bayesian posterior distribution for the model which can be sampled for synthetic data generation. Additionally, we model the additive and multiplicative background functions for Raman and CARS with Gaussian processes. We train two Bayesian neural networks to estimate parameters of the gamma process which can then be used to estimate the underlying Raman spectrum and simultaneously provide uncertainty through the estimation of parameters of a probability distribution. We apply the trained Bayesian neural networks to experimental Raman spectra of phthalocyanine blue, aniline black, naphthol red, and red 264 pigments and also to experimental CARS spectra of adenosine phosphate, fructose, glucose, and sucrose. The results agree with deterministic point estimates for the underlying Raman and CARS spectral signatures.

State space models (SSMs) are widely used to describe dynamic systems. However, when the likelihood of the observations is intractable, parameter inference for SSMs cannot be easily carried out using standard Markov chain Monte Carlo or sequential Monte Carlo methods. In this paper, we propose a particle Gibbs sampler as a general strategy to handle SSMs with intractable likelihoods in the approximate Bayesian computation (ABC) setting. The proposed sampler incorporates a conditional auxiliary particle filter, which can help mitigate the weight degeneracy often encountered in ABC. To illustrate the methodology, we focus on a classic stochastic volatility model (SVM) used in finance and econometrics for analyzing and interpreting volatility. Simulation studies demonstrate the accuracy of our sampler for SVM parameter inference, compared to existing particle Gibbs samplers based on the conditional bootstrap filter. As a real data application, we apply the proposed sampler for fitting an SVM to S&P 500 Index time-series data during the 2008 financial crisis.

We propose a framework for descriptively analyzing sets of partial orders based on the concept of depth functions. Despite intensive studies in linear and metric spaces, there is very little discussion on depth functions for non-standard data types such as partial orders. We introduce an adaptation of the well-known simplicial depth to the set of all partial orders, the union-free generic (ufg) depth. Moreover, we utilize our ufg depth for a comparison of machine learning algorithms based on multidimensional performance measures. Concretely, we provide two examples of classifier comparisons on samples of standard benchmark data sets. Our results demonstrate promisingly the wide variety of different analysis approaches based on ufg methods. Furthermore, the examples outline that our approach differs substantially from existing benchmarking approaches, and thus adds a new perspective to the vivid debate on classifier comparison.

We study a graph-based generalization of the Galam opinion formation model. Consider a simple connected graph which represents a social network. Each node in the graph is colored either blue or white, which indicates a positive or negative opinion on a new product or a topic. In each discrete-time round, all nodes are assigned randomly to groups of different sizes, where the node(s) in each group form a clique in the underlying graph. All the nodes simultaneously update their color to the majority color in their group. If there is a tie, each node in the group chooses one of the two colors uniformly at random. Investigating the convergence time of the model, our experiments show that the convergence time is a logarithm function of the number of nodes for a complete graph and a quadratic function for a cycle graph. We also study the various strategies for selecting a set of seed nodes to maximize the final cascade of one of the two colors, motivated by viral marketing. We consider the algorithms where the seed nodes are selected based on the graph structure (nodes' centrality measures such as degree, betweenness, and closeness) and the individual's characteristics (activeness and stubbornness). We provide a comparison of such strategies by conducting experiments on different real-world and synthetic networks.

Generative Pre-trained Transformer (GPT) models have exhibited exciting progress in their capabilities, capturing the interest of practitioners and the public alike. Yet, while the literature on the trustworthiness of GPT models remains limited, practitioners have proposed employing capable GPT models for sensitive applications such as healthcare and finance -- where mistakes can be costly. To this end, this work proposes a comprehensive trustworthiness evaluation for large language models with a focus on GPT-4 and GPT-3.5, considering diverse perspectives -- including toxicity, stereotype bias, adversarial robustness, out-of-distribution robustness, robustness on adversarial demonstrations, privacy, machine ethics, and fairness. Based on our evaluations, we discover previously unpublished vulnerabilities to trustworthiness threats. For instance, we find that GPT models can be easily misled to generate toxic and biased outputs and leak private information in both training data and conversation history. We also find that although GPT-4 is usually more trustworthy than GPT-3.5 on standard benchmarks, GPT-4 is more vulnerable given jailbreaking system or user prompts, potentially because GPT-4 follows (misleading) instructions more precisely. Our work illustrates a comprehensive trustworthiness evaluation of GPT models and sheds light on the trustworthiness gaps. Our benchmark is publicly available at //decodingtrust.github.io/; our dataset can be previewed at //huggingface.co/datasets/AI-Secure/DecodingTrust; a concise version of this work is at //openreview.net/pdf?id=kaHpo8OZw2.

Many functions characterising physical systems are additively separable. This is the case, for instance, of mechanical Hamiltonian functions in physics, population growth equations in biology, and consumer preference and utility functions in economics. We consider the scenario in which a surrogate of a function is to be tested for additive separability. The detection that the surrogate is additively separable can be leveraged to improve further learning. Hence, it is beneficial to have the ability to test for such separability in surrogates. The mathematical approach is to test if the mixed partial derivative of the surrogate is zero; or empirically, lower than a threshold. We present and comparatively and empirically evaluate the eight methods to compute the mixed partial derivative of a surrogate function.

Solving partial differential equations (PDEs) by learning the solution operators has emerged as an attractive alternative to traditional numerical methods. However, implementing such architectures presents two main challenges: flexibility in handling irregular and arbitrary input and output formats and scalability to large discretizations. Most existing architectures are limited by their desired structure or infeasible to scale large inputs and outputs. To address these issues, we introduce an attention-based model called an inducing-point operator transformer (IPOT). Inspired by inducing points methods, IPOT is designed to handle any input function and output query while capturing global interactions in a computationally efficient way. By detaching the inputs/outputs discretizations from the processor with a smaller latent bottleneck, IPOT offers flexibility in processing arbitrary discretizations and scales linearly with the size of inputs/outputs. Our experimental results demonstrate that IPOT achieves strong performances with manageable computational complexity on an extensive range of PDE benchmarks and real-world weather forecasting scenarios, compared to state-of-the-art methods.

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

Traffic forecasting is an important factor for the success of intelligent transportation systems. Deep learning models including convolution neural networks and recurrent neural networks have been applied in traffic forecasting problems to model the spatial and temporal dependencies. In recent years, to model the graph structures in the transportation systems as well as the contextual information, graph neural networks (GNNs) are introduced as new tools and have achieved the state-of-the-art performance in a series of traffic forecasting problems. In this survey, we review the rapidly growing body of recent research using different GNNs, e.g., graph convolutional and graph attention networks, in various traffic forecasting problems, e.g., road traffic flow and speed forecasting, passenger flow forecasting in urban rail transit systems, demand forecasting in ride-hailing platforms, etc. We also present a collection of open data and source resources for each problem, as well as future research directions. To the best of our knowledge, this paper is the first comprehensive survey that explores the application of graph neural networks for traffic forecasting problems. We have also created a public Github repository to update the latest papers, open data and source resources.