As a result, they are often brittle and unable to adapt to new domains, can treat individuals or subgroups unfairly, and have limited ability to explain their actions or recommendations [197, 235] reducing the trust of human users [118]. Following this, a new area of research, trustworthy AI, has recently received much attention from several policymakers and other regulatory organizations. The resulting guidelines (e.g., [184, 186, 187]), introduced to increase trust in AI systems, make developing trustworthy AI not only a technical (research) and social endeavor but also an organizational and (legal) obligational requirement. In this paper, we set out to demonstrate, through an extensive survey, that causal modeling and reasoning is an emerging and very useful tool for enabling current AI systems to become trustworthy. Causality is the science of reasoning about causes and effects. Cause-and-effect relationships are central to how we make sense of the world around us, how we act upon it, and how we respond to changes in our environment. In AI, research in causality was pioneered by the Turing award winner Judea Pearl long back in his 1995 seminal paper [194]. Since then, many researchers have contributed to the development of a solid mathematical basis for causality; see, for example, the books [79, 196, 201], the survey [90] and seminal papers [197, 235].

Due to the development of data technology, feature selection plays an important role in both statistics and machine learning. High dimensional and ultra-high dimensional datasets are widely used in many fields, such as finance, image recognition, text classification, etc. Although more detailed information is provided with the increase of dimensions, the existence of a large number of redundant features weakens the generalization ability of models and increases the difficulty of data analysis (Jain et al., 2000). Thus, the efficiency of feature selection is crucial, as it focuses on choosing a small subset of informative features that contain the information of data and determine the source of the specific concerns derived from the study. In many data analyses, feature selection is a significant and frequently used dimensionality reduction technique and is often considered a key preprocessing step in data analysis for model benefits, such as interpretability, accuracy, lower computational costs, and less prone to overfitting (Sheikhpour et al., 2017; Khaire and Dhanalakshmi, 2022).

One of the significant steps in the process leading to the identification of proteins is mass spectrometry, which allows for obtaining information about the structure of proteins. Removing isotope peaks from the mass spectrum is vital and it is done in a process called deisotoping. There are different algorithms for deisotoping, but they have their limitations, they are dedicated to different methods of mass spectrometry. Data from experiments performed with the MALDI-ToF technique are characterized by high dimensionality. This paper presents a method for identifying isotope envelopes in MALDI-ToF molecular imaging data based on the Mamdani-Assilan fuzzy system and spatial maps of the molecular distribution of peaks included in the isotopic envelope. Several image texture measures were used to evaluate spatial molecular distribution maps. The algorithm was tested on eight datasets obtained from the MALDI-ToF experiment on samples from the National Institute of Oncology in Gliwice from patients with cancer of the head and neck region. The data were subjected to pre-processing and feature extraction. The results were collected and compared with three existing deisotoping algorithms. The analysis of the obtained results showed that the method for identifying isotopic envelopes proposed in this paper enables the detection of overlapping envelopes by using the approach oriented to study peak pairs. Moreover, the proposed algorithm enables the analysis of large data sets.

Pretrained large language models have become indispensable for solving various natural language processing (NLP) tasks. However, safely deploying them in real world applications is challenging because they generate toxic content. To address this challenge, we propose two novel pretraining data augmentation strategies that significantly reduce model toxicity without compromising its utility. Our two strategies are: (1) MEDA: adds raw toxicity score as meta-data to the pretraining samples, and (2) INST: adds instructions to those samples indicating their toxicity. Our results indicate that our best performing strategy (INST) substantially reduces the toxicity probability up to 61% while preserving the accuracy Figure 1: Overview of the proposed approaches and the on five benchmark NLP tasks as well as baseline (BASE). We propose two new data augmentation improving AUC scores on four bias detection strategies, MEDA and INST. The text in purple are tasks by 1.3%. We also demonstrate the generalizability control variables indicating the desired toxicity level of of our techniques by scaling the the text. The text in black is the input to the model number of training samples and the number of and the text in green is the generated output using each model parameters.

Deep learning has contributed greatly to many successes in artificial intelligence in recent years. Today, it is possible to train models that have thousands of layers and hundreds of billions of parameters. Large-scale deep models have achieved great success, but the enormous computational complexity and gigantic storage requirements make it extremely difficult to implement them in real-time applications. On the other hand, the size of the dataset is still a real problem in many domains. Data are often missing, too expensive, or impossible to obtain for other reasons. Ensemble learning is partially a solution to the problem of small datasets and overfitting. However, ensemble learning in its basic version is associated with a linear increase in computational complexity. We analyzed the impact of the ensemble decision-fusion mechanism and checked various methods of sharing the decisions including voting algorithms. We used the modified knowledge distillation framework as a decision-fusion mechanism which allows in addition compressing of the entire ensemble model into a weight space of a single model. We showed that knowledge distillation can aggregate knowledge from multiple teachers in only one student model and, with the same computational complexity, obtain a better-performing model compared to a model trained in the standard manner. We have developed our own method for mimicking the responses of all teachers at the same time, simultaneously. We tested these solutions on several benchmark datasets. In the end, we presented a wide application use of the efficient multi-teacher knowledge distillation framework. In the first example, we used knowledge distillation to develop models that could automate corrosion detection on aircraft fuselage. The second example describes detection of smoke on observation cameras in order to counteract wildfires in forests.

Deep neural network based object detectors are continuously evolving and are used in a multitude of applications, each having its own set of requirements. While safety-critical applications need high accuracy and reliability, low-latency tasks need resource and energy-efficient networks. Real-time detectors, which are a necessity in high-impact real-world applications, are continuously proposed, but they overemphasize the improvements in accuracy and speed while other capabilities such as versatility, robustness, resource and energy efficiency are omitted. A reference benchmark for existing networks does not exist, nor does a standard evaluation guideline for designing new networks, which results in ambiguous and inconsistent comparisons. We, thus, conduct a comprehensive study on multiple real-time detectors (anchor-, keypoint-, and transformer-based) on a wide range of datasets and report results on an extensive set of metrics. We also study the impact of variables such as image size, anchor dimensions, confidence thresholds, and architecture layers on the overall performance. We analyze the robustness of detection networks against distribution shifts, natural corruptions, and adversarial attacks. Also, we provide a calibration analysis to gauge the reliability of the predictions. Finally, to highlight the real-world impact, we conduct two unique case studies, on autonomous driving and healthcare applications. To further gauge the capability of networks in critical real-time applications, we report the performance after deploying the detection networks on edge devices. Our extensive empirical study can act as a guideline for the industrial community to make an informed choice on the existing networks. We also hope to inspire the research community towards a new direction in the design and evaluation of networks that focuses on a bigger and holistic overview for a far-reaching impact.

Data-driven building energy prediction is an integral part of the process for measurement and verification, building benchmarking, and building-to-grid interaction. The ASHRAE Great Energy Predictor III (GEPIII) machine learning competition used an extensive meter data set to crowdsource the most accurate machine learning workflow for whole building energy prediction. A significant component of the winning solutions was the pre-processing phase to remove anomalous training data. Contemporary pre-processing methods focus on filtering statistical threshold values or deep learning methods requiring training data and multiple hyper-parameters. A recent method named ALDI (Automated Load profile Discord Identification) managed to identify these discords using matrix profile, but the technique still requires user-defined parameters. We develop ALDI++, a method based on the previous work that bypasses user-defined parameters and takes advantage of discord similarity. We evaluate ALDI++ against a statistical threshold, variational auto-encoder, and the original ALDI as baselines in classifying discords and energy forecasting scenarios. Our results demonstrate that while the classification performance improvement over the original method is marginal, ALDI++ helps achieve the best forecasting error improving 6% over the winning's team approach with six times less computation time.

Trojan attacks on deep neural networks are both dangerous and surreptitious. Over the past few years, Trojan attacks have advanced from using only a single input-agnostic trigger and targeting only one class to using multiple, input-specific triggers and targeting multiple classes. However, Trojan defenses have not caught up with this development. Most defense methods still make inadequate assumptions about Trojan triggers and target classes, thus, can be easily circumvented by modern Trojan attacks. To deal with this problem, we propose two novel "filtering" defenses called Variational Input Filtering (VIF) and Adversarial Input Filtering (AIF) which leverage lossy data compression and adversarial learning respectively to effectively purify potential Trojan triggers in the input at run time without making assumptions about the number of triggers/target classes or the input dependence property of triggers. In addition, we introduce a new defense mechanism called "Filtering-then-Contrasting" (FtC) which helps avoid the drop in classification accuracy on clean data caused by "filtering", and combine it with VIF/AIF to derive new defenses of this kind. Extensive experimental results and ablation studies show that our proposed defenses significantly outperform well-known baseline defenses in mitigating five advanced Trojan attacks including two recent state-of-the-art while being quite robust to small amounts of training data and large-norm triggers.

Rapid testing is essential to fighting pandemics such as COVID-19, the disease caused by the SARS-CoV-2 virus. Exhaled human breath contains multiple volatile molecules providing powerful potential for non-invasive diagnosis of diverse medical conditions. We investigated breath detection of SARS-CoV-2 infection using cavity-enhanced direct frequency comb spectroscopy (CE-DFCS), a state-of-the-art laser spectroscopic technique capable of a real-time massive collection of broadband molecular absorption features at ro-vibrational quantum state resolution and at parts-per-trillion volume detection sensitivity. Using a total of 170 individual breath samples (83 positive and 87 negative with SARS-CoV-2 based on Reverse Transcription Polymerase Chain Reaction tests), we report excellent discrimination capability for SARS-CoV-2 infection with an area under the Receiver-Operating-Characteristics curve of 0.849(4). Our results support the development of CE-DFCS as an alternative, rapid, non-invasive test for COVID-19 and highlight its remarkable potential for optical diagnoses of diverse biological conditions and disease states.

With an increased focus on incorporating fairness in machine learning models, it becomes imperative not only to assess and mitigate bias at each stage of the machine learning pipeline but also to understand the downstream impacts of bias across stages. Here we consider a general, but realistic, scenario in which a predictive model is learned from (potentially biased) training data, and model predictions are assessed post-hoc for fairness by some auditing method. We provide a theoretical analysis of how a specific form of data bias, differential sampling bias, propagates from the data stage to the prediction stage. Unlike prior work, we evaluate the downstream impacts of data biases quantitatively rather than qualitatively and prove theoretical guarantees for detection. Under reasonable assumptions, we quantify how the amount of bias in the model predictions varies as a function of the amount of differential sampling bias in the data, and at what point this bias becomes provably detectable by the auditor. Through experiments on two criminal justice datasets -- the well-known COMPAS dataset and historical data from NYPD's stop and frisk policy -- we demonstrate that the theoretical results hold in practice even when our assumptions are relaxed.