In contrastive learning, the choice of ``view'' controls the information that the representation captures and influences the performance of the model. However, leading graph contrastive learning methods generally produce views via random corruption or learning, which could lead to the loss of essential information and alteration of semantic information. An anchor view that maintains the essential information of input graphs for contrastive learning has been hardly investigated. In this paper, based on the theory of graph information bottleneck, we deduce the definition of this anchor view; put differently, \textit{the anchor view with essential information of input graph is supposed to have the minimal structural uncertainty}. Furthermore, guided by structural entropy, we implement the anchor view, termed \textbf{SEGA}, for graph contrastive learning. We extensively validate the proposed anchor view on various benchmarks regarding graph classification under unsupervised, semi-supervised, and transfer learning and achieve significant performance boosts compared to the state-of-the-art methods.

As the use of machine learning models in real world high-stakes decision settings continues to grow, it is highly important that we are able to audit and control for any potential fairness violations these models may exhibit towards certain groups. To do so, one naturally requires access to sensitive attributes, such as demographics, gender, or other potentially sensitive features that determine group membership. Unfortunately, in many settings, this information is often unavailable. In this work we study the well known \emph{equalized odds} (EOD) definition of fairness. In a setting without sensitive attributes, we first provide tight and computable upper bounds for the EOD violation of a predictor. These bounds precisely reflect the worst possible EOD violation. Second, we demonstrate how one can provably control the worst-case EOD by a new post-processing correction method. Our results characterize when directly controlling for EOD with respect to the predicted sensitive attributes is -- and when is not -- optimal when it comes to controlling worst-case EOD. Our results hold under assumptions that are milder than previous works, and we illustrate these results with experiments on synthetic and real datasets.

Errors of machine learning models are costly, especially in safety-critical domains such as healthcare, where such mistakes can prevent the deployment of machine learning altogether. In these settings, conservative models -- models which can defer to human judgment when they are likely to make an error -- may offer a solution. However, detecting unusual or difficult examples is notably challenging, as it is impossible to anticipate all potential inputs at test time. To address this issue, prior work has proposed to minimize the model's confidence on an auxiliary pseudo-OOD dataset. We theoretically analyze the effect of confidence minimization and show that the choice of auxiliary dataset is critical. Specifically, if the auxiliary dataset includes samples from the OOD region of interest, confidence minimization provably separates ID and OOD inputs by predictive confidence. Taking inspiration from this result, we present data-driven confidence minimization (DCM), which minimizes confidence on an uncertainty dataset containing examples that the model is likely to misclassify at test time. Our experiments show that DCM consistently outperforms state-of-the-art OOD detection methods on 8 ID-OOD dataset pairs, reducing FPR (at TPR 95%) by 6.3% and 58.1% on CIFAR-10 and CIFAR-100, and outperforms existing selective classification approaches on 4 datasets in conditions of distribution shift.

When it comes to stock returns, any form of predictability can bolster risk-adjusted profitability. We develop a collaborative machine learning algorithm that optimizes portfolio weights so that the resulting synthetic security is maximally predictable. Precisely, we introduce MACE, a multivariate extension of Alternating Conditional Expectations that achieves the aforementioned goal by wielding a Random Forest on one side of the equation, and a constrained Ridge Regression on the other. There are two key improvements with respect to Lo and MacKinlay's original maximally predictable portfolio approach. First, it accommodates for any (nonlinear) forecasting algorithm and predictor set. Second, it handles large portfolios. We conduct exercises at the daily and monthly frequency and report significant increases in predictability and profitability using very little conditioning information. Interestingly, predictability is found in bad as well as good times, and MACE successfully navigates the debacle of 2022.

Despite the intense attention and considerable investment into clinical machine learning research, relatively few applications have been deployed at a large-scale in a real-world clinical environment. While research is important in advancing the state-of-the-art, translation is equally important in bringing these techniques and technologies into a position to ultimately impact healthcare. We believe a lack of appreciation for several considerations are a major cause for this discrepancy between expectation and reality. To better characterize a holistic perspective among researchers and practitioners, we survey several practitioners with commercial experience in developing CML for clinical deployment. Using these insights, we identify several main categories of challenges in order to better design and develop clinical machine learning applications.

Social media platforms have enabled individuals suffering from mental illnesses to share their lived experiences and find the online support necessary to cope. However, many users fail to receive genuine clinical support, thus exacerbating their symptoms. Screening users based on what they post online can aid providers in administering targeted healthcare and minimize false positives. Pre-trained Language Models (LMs) can assess users' social media data and classify them in terms of their mental health risk. We propose a Question-Answering (QA) approach to assess mental health risk using the Unified-QA model on two large mental health datasets. To protect user data, we extend Unified-QA by anonymizing the model training process using differential privacy. Our results demonstrate the effectiveness of modeling risk assessment as a QA task, specifically for mental health use cases. Furthermore, the model's performance decreases by less than 1% with the inclusion of differential privacy. The proposed system's performance is indicative of a promising research direction that will lead to the development of privacy-aware diagnostic systems.

We present AircraftVerse, a publicly available aerial vehicle design dataset. Aircraft design encompasses different physics domains and, hence, multiple modalities of representation. The evaluation of these cyber-physical system (CPS) designs requires the use of scientific analytical and simulation models ranging from computer-aided design tools for structural and manufacturing analysis, computational fluid dynamics tools for drag and lift computation, battery models for energy estimation, and simulation models for flight control and dynamics. AircraftVerse contains 27,714 diverse air vehicle designs - the largest corpus of engineering designs with this level of complexity. Each design comprises the following artifacts: a symbolic design tree describing topology, propulsion subsystem, battery subsystem, and other design details; a STandard for the Exchange of Product (STEP) model data; a 3D CAD design using a stereolithography (STL) file format; a 3D point cloud for the shape of the design; and evaluation results from high fidelity state-of-the-art physics models that characterize performance metrics such as maximum flight distance and hover-time. We also present baseline surrogate models that use different modalities of design representation to predict design performance metrics, which we provide as part of our dataset release. Finally, we discuss the potential impact of this dataset on the use of learning in aircraft design and, more generally, in CPS. AircraftVerse is accompanied by a data card, and it is released under Creative Commons Attribution-ShareAlike (CC BY-SA) license. The dataset is hosted at https://zenodo.org/record/6525446, baseline models and code at https://github.com/SRI-CSL/AircraftVerse, and the dataset description at https://aircraftverse.onrender.com/.

Diffusion models have demonstrated excellent potential for generating diverse images. However, their performance often suffers from slow generation due to iterative denoising. Knowledge distillation has been recently proposed as a remedy that can reduce the number of inference steps to one or a few without significant quality degradation. However, existing distillation methods either require significant amounts of offline computation for generating synthetic training data from the teacher model or need to perform expensive online learning with the help of real data. In this work, we present a novel technique called BOOT, that overcomes these limitations with an efficient data-free distillation algorithm. The core idea is to learn a time-conditioned model that predicts the output of a pre-trained diffusion model teacher given any time step. Such a model can be efficiently trained based on bootstrapping from two consecutive sampled steps. Furthermore, our method can be easily adapted to large-scale text-to-image diffusion models, which are challenging for conventional methods given the fact that the training sets are often large and difficult to access. We demonstrate the effectiveness of our approach on several benchmark datasets in the DDIM setting, achieving comparable generation quality while being orders of magnitude faster than the diffusion teacher. The text-to-image results show that the proposed approach is able to handle highly complex distributions, shedding light on more efficient generative modeling.

Machine Learning (ML) has become ubiquitous, and its deployment in Network Intrusion Detection Systems (NIDS) is inevitable due to its automated nature and high accuracy in processing and classifying large volumes of data. However, ML has been found to have several flaws, on top of them are adversarial attacks, which aim to trick ML models into producing faulty predictions. While most adversarial attack research focuses on computer vision datasets, recent studies have explored the practicality of such attacks against ML-based network security entities, especially NIDS. This paper presents two distinct contributions: a taxonomy of practicality issues associated with adversarial attacks against ML-based NIDS and an investigation of the impact of continuous training on adversarial attacks against NIDS. Our experiments indicate that continuous re-training, even without adversarial training, can reduce the effect of adversarial attacks. While adversarial attacks can harm ML-based NIDSs, our aim is to highlight that there is a significant gap between research and real-world practicality in this domain which requires attention.

The application of machine learning (ML) models to the analysis of optimization algorithms requires the representation of optimization problems using numerical features. These features can be used as input for ML models that are trained to select or to configure a suitable algorithm for the problem at hand. Since in pure black-box optimization information about the problem instance can only be obtained through function evaluation, a common approach is to dedicate some function evaluations for feature extraction, e.g., using random sampling. This approach has two key downsides: (1) It reduces the budget left for the actual optimization phase, and (2) it neglects valuable information that could be obtained from a problem-solver interaction. In this paper, we propose a feature extraction method that describes the trajectories of optimization algorithms using simple descriptive statistics. We evaluate the generated features for the task of classifying problem classes from the Black Box Optimization Benchmarking (BBOB) suite. We demonstrate that the proposed DynamoRep features capture enough information to identify the problem class on which the optimization algorithm is running, achieving a mean classification accuracy of 95% across all experiments.