Predictions of opaque black-box systems are frequently deployed in high-stakes applications such as healthcare. For such applications, it is crucial to assess how models handle samples beyond the domain of training data. While several metrics and tests exist to detect out-of-distribution (OoD) data from in-distribution (InD) data to a deep neural network (DNN), their performance varies significantly across datasets, models, and tasks, which limits their practical use. In this paper, we propose a hypothesis-driven approach to quantify whether a new sample is InD or OoD. Given a trained DNN and some input, we first feed the input through the DNN and compute an ensemble of OoD metrics, which we term latent responses. We then formulate the OoD detection problem as a hypothesis test between latent responses of different groups, and use permutation-based resampling to infer the significance of the observed latent responses under a null hypothesis. We adapt our method to detect an unseen sample of bacteria to a trained deep learning model, and show that it reveals interpretable differences between InD and OoD latent responses. Our work has implications for systematic novelty detection and informed decision-making from classifiers trained on a subset of labels.
Counterfactual explanations provide a popular method for analyzing the predictions of black-box systems, and they can offer the opportunity for computational recourse by suggesting actionable changes on how to change the input to obtain a different (i.e. more favorable) system output. However, recent work highlighted their vulnerability to different types of manipulations. This work studies the vulnerability of counterfactual explanations to data poisoning. We formalize data poisoning in the context of counterfactual explanations for increasing the cost of recourse on three different levels: locally for a single instance, or a sub-group of instances, or globally for all instances. We demonstrate that state-of-the-art counterfactual generation methods \& toolboxes are vulnerable to such data poisoning.
Critical infrastructures (CNI) are vulnerable to cyberattacks due to their interconnected communication systems. We are developing a platform using real-time simulation of cyber-physical systems to enhance CNI resilience and security. The platform, initiated in the Vaasa Harbor Microgrid, allows creation of a digital twin and real-time execution of its functions. It provides a co-simulation environment for simulating cyberattack scenarios, aiding in the design of a cybersecurity simulator-based platform and offering services for CNI stakeholders.
LLMs can be used on code analysis tasks like code review, vulnerabilities analysis and etc. However, the strengths and limitations of adopting these LLMs to the code analysis are still unclear. In this paper, we delve into LLMs' capabilities in security-oriented program analysis, considering perspectives from both attackers and security analysts. We focus on two representative LLMs, ChatGPT and CodeBert, and evaluate their performance in solving typical analytic tasks with varying levels of difficulty. Our study demonstrates the LLM's efficiency in learning high-level semantics from code, positioning ChatGPT as a potential asset in security-oriented contexts. However, it is essential to acknowledge certain limitations, such as the heavy reliance on well-defined variable and function names, making them unable to learn from anonymized code. For example, the performance of these LLMs heavily relies on the well-defined variable and function names, therefore, will not be able to learn anonymized code. We believe that the concerns raised in this case study deserve in-depth investigation in the future.
Because of their excellent asymptotic and finite-length performance, spatially-coupled (SC) codes are a class of low-density parity-check codes that is gaining increasing attention. Multi-dimensional (MD) SC codes are constructed by connecting copies of an SC code via relocations in order to mitigate various sources of non-uniformity and improve performance in many data storage and data transmission systems. As the number of degrees of freedom in the MD-SC code design increases, appropriately exploiting them becomes more difficult because of the complexity growth of the design process. In this paper, we propose a probabilistic framework for the MD-SC code design, which is based on the gradient-descent (GD) algorithm, to design better MD codes and address this challenge. In particular, we express the expected number of short cycles, which we seek to minimize, in the graph representation of the code in terms of entries of a probability-distribution matrix that characterizes the MD-SC code design. We then find a locally-optimal probability distribution, which serves as the starting point of a finite-length algorithmic optimizer that produces the final MD-SC code. We offer the theoretical analysis as well as the algorithms, and we present experimental results demonstrating that our MD codes, conveniently called GD-MD codes, have notably lower short cycle numbers compared with the available state-of-the-art. Moreover, our algorithms converge on solutions in few iterations, which confirms the complexity reduction as a result of limiting the search space via the locally-optimal GD-MD distributions.
Deep generative models have been accelerating the inverse design process in material and drug design. Unlike their counterpart property predictors in typical molecular design frameworks, generative molecular design models have seen fewer efforts on uncertainty quantification (UQ) due to computational challenges in Bayesian inference posed by their large number of parameters. In this work, we focus on the junction-tree variational autoencoder (JT-VAE), a popular model for generative molecular design, and address this issue by leveraging the low dimensional active subspace to capture the uncertainty in the model parameters. Specifically, we approximate the posterior distribution over the active subspace parameters to estimate the epistemic model uncertainty in an extremely high dimensional parameter space. The proposed UQ scheme does not require alteration of the model architecture, making it readily applicable to any pre-trained model. Our experiments demonstrate the efficacy of the AS-based UQ and its potential impact on molecular optimization by exploring the model diversity under epistemic uncertainty.
Analyses of heterogeneous treatment effects (HTE) are common in applied causal inference research. However, when outcomes are latent variables assessed via psychometric instruments such as educational tests, standard methods ignore the potential HTE that may exist among the individual items of the outcome measure. Failing to account for "item-level" HTE (IL-HTE) can lead to both estimated standard errors that are too small and identification challenges in the estimation of treatment-by-covariate interaction effects. We demonstrate how Item Response Theory (IRT) models that estimate a treatment effect for each assessment item can both address these challenges and provide new insights into HTE generally. This study articulates the theoretical rationale for the IL-HTE model and demonstrates its practical value using data from 20 randomized controlled trials in economics, education, and health. Our results show that the IL-HTE model reveals item-level variation masked by average treatment effects, provides more accurate statistical inference, allows for estimates of the generalizability of causal effects, resolves identification problems in the estimation of interaction effects, and provides estimates of standardized treatment effect sizes corrected for attenuation due to measurement error.
Large Language Models (LLMs) have shown excellent generalization capabilities that have led to the development of numerous models. These models propose various new architectures, tweaking existing architectures with refined training strategies, increasing context length, using high-quality training data, and increasing training time to outperform baselines. Analyzing new developments is crucial for identifying changes that enhance training stability and improve generalization in LLMs. This survey paper comprehensively analyses the LLMs architectures and their categorization, training strategies, training datasets, and performance evaluations and discusses future research directions. Moreover, the paper also discusses the basic building blocks and concepts behind LLMs, followed by a complete overview of LLMs, including their important features and functions. Finally, the paper summarizes significant findings from LLM research and consolidates essential architectural and training strategies for developing advanced LLMs. Given the continuous advancements in LLMs, we intend to regularly update this paper by incorporating new sections and featuring the latest LLM models.
In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.
Deep neural networks (DNNs) are successful in many computer vision tasks. However, the most accurate DNNs require millions of parameters and operations, making them energy, computation and memory intensive. This impedes the deployment of large DNNs in low-power devices with limited compute resources. Recent research improves DNN models by reducing the memory requirement, energy consumption, and number of operations without significantly decreasing the accuracy. This paper surveys the progress of low-power deep learning and computer vision, specifically in regards to inference, and discusses the methods for compacting and accelerating DNN models. The techniques can be divided into four major categories: (1) parameter quantization and pruning, (2) compressed convolutional filters and matrix factorization, (3) network architecture search, and (4) knowledge distillation. We analyze the accuracy, advantages, disadvantages, and potential solutions to the problems with the techniques in each category. We also discuss new evaluation metrics as a guideline for future research.
Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.