This paper develops conformal inference methods to construct a confidence interval for the frequency of a queried object in a very large discrete data set, based on a sketch with a lower memory footprint. This approach requires no knowledge of the data distribution and can be combined with any sketching algorithm, including but not limited to the renowned count-min sketch, the count-sketch, and variations thereof. After explaining how to achieve marginal coverage for exchangeable random queries, we extend our solution to provide stronger inferences that can account for the discreteness of the data and for heterogeneous query frequencies, increasing also robustness to possible distribution shifts. These results are facilitated by a novel conformal calibration technique that guarantees valid coverage for a large fraction of distinct random queries. Finally, we show our methods have improved empirical performance compared to existing frequentist and Bayesian alternatives in simulations as well as in examples of text and SARS-CoV-2 DNA data.

In many real world settings binary classification decisions are made based on limited data in near real-time, e.g. when assessing a loan application. We focus on a class of these problems that share a common feature: the true label is only observed when a data point is assigned a positive label by the principal, e.g. we only find out whether an applicant defaults if we accepted their loan application. As a consequence, the false rejections become self-reinforcing and cause the labelled training set, that is being continuously updated by the model decisions, to accumulate bias. Prior work mitigates this effect by injecting optimism into the model, however this comes at the cost of increased false acceptance rate. We introduce adversarial optimism (AdOpt) to directly address bias in the training set using adversarial domain adaptation. The goal of AdOpt is to learn an unbiased but informative representation of past data, by reducing the distributional shift between the set of accepted data points and all data points seen thus far. AdOpt significantly exceeds state-of-the-art performance on a set of challenging benchmark problems. Our experiments also provide initial evidence that the introduction of adversarial domain adaptation improves fairness in this setting.

X-ray diffraction (XRD) is an essential technique to determine a material's crystal structure in high-throughput experimentation, and has recently been incorporated in artificially intelligent agents in autonomous scientific discovery processes. However, rapid, automated and reliable analysis method of XRD data matching the incoming data rate remains a major challenge. To address these issues, we present CrystalShift, an efficient algorithm for probabilistic XRD phase labeling that employs symmetry-constrained pseudo-refinement optimization, best-first tree search, and Bayesian model comparison to estimate probabilities for phase combinations without requiring phase space information or training. We demonstrate that CrystalShift provides robust probability estimates, outperforming existing methods on synthetic and experimental datasets, and can be readily integrated into high-throughput experimental workflows. In addition to efficient phase-mapping, CrystalShift offers quantitative insights into materials' structural parameters, which facilitate both expert evaluation and AI-based modeling of the phase space, ultimately accelerating materials identification and discovery.

ABSTRACT The next generation of telescopes will yield a substantial increase in the availability of high-resolution spectroscopic data for thousands of exoplanets. The sheer volume of data and number of planets to be analyzed greatly motivate the development of new, fast and efficient methods for flagging interesting planets for reobservation and detailed analysis. We advocate the application of machine learning (ML) techniques for anomaly (novelty) detection to exoplanet transit spectra, with the goal of identifying planets with unusual chemical composition and even searching for unknown biosignatures. We successfully demonstrate the feasibility of two popular anomaly detection methods (Local Outlier Factor and One Class Support Vector Machine) on a large public database of synthetic spectra. We consider several test cases, each with different levels of instrumental noise. In each case, we use ROC curves to quantify and compare the performance of the two ML techniques. INTRODUCTION Characterization of the chemical composition of the atmospheres of extra-solar system planets is at the forefront of current exoplanetary research. The chemical makeup of a planet's atmosphere is determined by its formation; it is reshaped by its geological evolution, escape processes, interactions with the host star, its space environment; and it is potentially modified by biological activity.

We propose a simple yet effective solution to tackle the often-competing goals of fairness and utility in classification tasks. While fairness ensures that the model's predictions are unbiased and do not discriminate against any particular group or individual, utility focuses on maximizing the model's predictive performance. This work introduces the idea of leveraging aleatoric uncertainty (e.g., data ambiguity) to improve the fairness-utility trade-off. Our central hypothesis is that aleatoric uncertainty is a key factor for algorithmic fairness and samples with low aleatoric uncertainty are modeled more accurately and fairly than those with high aleatoric uncertainty. We then propose a principled model to improve fairness when aleatoric uncertainty is high and improve utility elsewhere. Our approach first intervenes in the data distribution to better decouple aleatoric uncertainty and epistemic uncertainty. It then introduces a fairness-utility bi-objective loss defined based on the estimated aleatoric uncertainty. Our approach is theoretically guaranteed to improve the fairness-utility trade-off. Experimental results on both tabular and image datasets show that the proposed approach outperforms state-of-the-art methods w.r.t. the fairness-utility trade-off and w.r.t. both group and individual fairness metrics. This work presents a fresh perspective on the trade-off between utility and algorithmic fairness and opens a key avenue for the potential of using prediction uncertainty in fair machine learning.

Recently, much exertion has been paid to design graph self-supervised methods to obtain generalized pre-trained models, and adapt pre-trained models onto downstream tasks through fine-tuning. However, there exists an inherent gap between pretext and downstream graph tasks, which insufficiently exerts the ability of pre-trained models and even leads to negative transfer. Meanwhile, prompt tuning has seen emerging success in natural language processing by aligning pre-training and fine-tuning with consistent training objectives. In this paper, we identify the challenges for graph prompt tuning: The first is the lack of a strong and universal pre-training task across sundry pre-training methods in graph domain. The second challenge lies in the difficulty of designing a consistent training objective for both pre-training and downstream tasks. To overcome above obstacles, we propose a novel framework named SGL-PT which follows the learning strategy ``Pre-train, Prompt, and Predict''. Specifically, we raise a strong and universal pre-training task coined as SGL that acquires the complementary merits of generative and contrastive self-supervised graph learning. And aiming for graph classification task, we unify pre-training and fine-tuning by designing a novel verbalizer-free prompting function, which reformulates the downstream task in a similar format as pretext task. Empirical results show that our method surpasses other baselines under unsupervised setting, and our prompt tuning method can greatly facilitate models on biological datasets over fine-tuning methods.

Agitation is one of the most prevalent symptoms in people with dementia (PwD) that can place themselves and the caregiver's safety at risk. Developing objective agitation detection approaches is important to support health and safety of PwD living in a residential setting. In a previous study, we collected multimodal wearable sensor data from 17 participants for 600 days and developed machine learning models for detecting agitation in one-minute windows. However, there are significant limitations in the dataset, such as imbalance problem and potential imprecise labelsas the occurrence of agitation is much rarer in comparison to the normal behaviours. In this paper, we first implemented different undersampling methods to eliminate the imbalance problem, and came to the conclusion that only 20% of normal behaviour data were adequate to train a competitive agitation detection model. Then, we designed a weighted undersampling method to evaluate the manual labeling mechanism given the ambiguous time interval assumption. After that, the postprocessing method of cumulative class re-decision (CCR) was proposed based on the historical sequential information and continuity characteristic of agitation, improving the decision-making performance for the potential application of agitation detection system. The results showed that a combination of undersampling and CCR improved F1-score and other metrics to varying degrees with less training time and data.

Restoration of poor quality images with a blended set of artifacts plays a vital role for a reliable diagnosis. Existing studies have focused on specific restoration problems such as image deblurring, denoising, and exposure correction where there is usually a strong assumption on the artifact type and severity. As a pioneer study in blind X-ray restoration, we propose a joint model for generic image restoration and classification: Restore-to-Classify Generative Adversarial Networks (R2C-GANs). Such a jointly optimized model keeps any disease intact after the restoration. Therefore, this will naturally lead to a higher diagnosis performance thanks to the improved X-ray image quality. To accomplish this crucial objective, we define the restoration task as an Image-to-Image translation problem from poor quality having noisy, blurry, or over/under-exposed images to high quality image domain. The proposed R2C-GAN model is able to learn forward and inverse transforms between the two domains using unpaired training samples. Simultaneously, the joint classification preserves the disease label during restoration. Moreover, the R2C-GANs are equipped with operational layers/neurons reducing the network depth and further boosting both restoration and classification performances. The proposed joint model is extensively evaluated over the QaTa-COV19 dataset for Coronavirus Disease 2019 (COVID-19) classification. The proposed restoration approach achieves over 90% F1-Score which is significantly higher than the performance of any deep model. Moreover, in the qualitative analysis, the restoration performance of R2C-GANs is approved by a group of medical doctors. We share the software implementation at https://github.com/meteahishali/R2C-GAN.

AI surveillance might deter cheaters. But sometimes these detectors get it wrong, too. And even a small "false positive" error rate means some students could be wrongly accused -- an experience with potentially devastating long-term effects. After I wrote about the arrival of the AI detector from Turnitin, I heard from many angry high school and college students (and some of their parents) claiming they had been falsely accused of AI cheating. So I asked some of them how they handled the accusations, and I also sought some advice from experts in academic integrity and AI.

Online questionnaires that use crowd-sourcing platforms to recruit participants have become commonplace, due to their ease of use and low costs. Artificial Intelligence (AI) based Large Language Models (LLM) have made it easy for bad actors to automatically fill in online forms, including generating meaningful text for open-ended tasks. These technological advances threaten the data quality for studies that use online questionnaires. This study tested if text generated by an AI for the purpose of an online study can be detected by both humans and automatic AI detection systems. While humans were able to correctly identify authorship of text above chance level (76 percent accuracy), their performance was still below what would be required to ensure satisfactory data quality. Researchers currently have to rely on the disinterest of bad actors to successfully use open-ended responses as a useful tool for ensuring data quality. Automatic AI detection systems are currently completely unusable. If AIs become too prevalent in submitting responses then the costs associated with detecting fraudulent submissions will outweigh the benefits of online questionnaires. Individual attention checks will no longer be a sufficient tool to ensure good data quality. This problem can only be systematically addressed by crowd-sourcing platforms. They cannot rely on automatic AI detection systems and it is unclear how they can ensure data quality for their paying clients.