High-throughput drug screening - using cell imaging or gene expression measurements as readouts of drug effect - is a critical tool in biotechnology to assess and understand the relationship between the chemical structure and biological activity of a drug. Since large-scale screens have to be divided into multiple experiments, a key difficulty is dealing with batch effects, which can introduce systematic errors and non-biological associations in the data. We propose InfoCORE, an Information maximization approach for COnfounder REmoval, to effectively deal with batch effects and obtain refined molecular representations. InfoCORE establishes a variational lower bound on the conditional mutual information of the latent representations given a batch identifier. It adaptively reweighs samples to equalize their implied batch distribution. Extensive experiments on drug screening data reveal InfoCORE's superior performance in a multitude of tasks including molecular property prediction and molecule-phenotype retrieval. Additionally, we show results for how InfoCORE offers a versatile framework and resolves general distribution shifts and issues of data fairness by minimizing correlation with spurious features or removing sensitive attributes. Representation learning (Bengio et al., 2013) has become pivotal in drug discovery (Wu et al., 2018) and understanding biological systems (Yang et al., 2021b). It serves as a pillar for recognizing drug mechanisms, predicting a drug's activity and toxicity, and identifying disease-associated chemical structures. A central challenge in this context is to accurately capture the nuanced relationship between the chemical structure of a small molecule and its biological or physical attributes. Most molecular representation learning methods only encode a molecule's chemical identity and hence provide unimodal representations (Wang et al., 2022; Xu et al., 2021b). A limitation of such techniques is that molecules with similar structures can have very different effects in the cellular context.

This research paper focuses on the integration of Artificial Intelligence (AI) into the currency trading landscape, positing the development of personalized AI models, essentially functioning as intelligent personal assistants tailored to the idiosyncrasies of individual traders. The paper posits that AI models are capable of identifying nuanced patterns within the trader's historical data, facilitating a more accurate and insightful assessment of psychological risk dynamics in currency trading. The PRI is a dynamic metric that experiences fluctuations in response to market conditions that foster psychological fragility among traders. By employing sophisticated techniques, a classifying decision tree is crafted, enabling clearer decision-making boundaries within the tree structure. By incorporating the user's chronological trade entries, the model becomes adept at identifying critical junctures when psychological risks are heightened. The real-time nature of the calculations enhances the model's utility as a proactive tool, offering timely alerts to traders about impending moments of psychological risks. The implications of this research extend beyond the confines of currency trading, reaching into the realms of other industries where the judicious application of personalized modeling emerges as an efficient and strategic approach. This paper positions itself at the intersection of cutting-edge technology and the intricate nuances of human psychology, offering a transformative paradigm for decision making support in dynamic and high-pressure environments.

An efficient method for next-best-view (NBV) estimation with high accuracy in the case of the limited camera field of view (FOV) was proposed. Abstract: Fusion of three-dimensional (3D) and multispectral (MS) imaging data has a great potential for high-throughput plant phenotyping of structural and biochemical as well as physiological traits simultaneously, which is important for decision support in agriculture and for crop breeders in selecting the best genotypes. However, lacking of 3D data integrity of various plant canopy structures and low-quality of MS images caused by the complex illumination effects make a great challenge, especially at the proximal imaging scale. Therefore, this study proposed a novel approach for adaptive data acquisition and radiometric calibration to generate high-quality 3D multispectral point clouds (3DMPCs) of plants. An efficient next-best-view (NBV) planning method based on an unmanned ground vehicle (UGV) plant phenotyping system with a multisensor-equipped robotic arm was proposed to achieve adaptive data acquisition. The neural reference field (NeREF) was employed to predict the digital number (DN) values of the hemispherical reference for radiometric calibration. For NBV planning, the average total time for single plant at a joint speed of 1.55 rad/s was about 62.8 s, with an average reduction of 18.0% compared to the unplanned. The integrity of the wholeplant data was improved by an average of 23.6% compared to the fixed viewpoints alone. Compared with the ASD measurements, the average root mean square error (RMSE) of the reflectance spectra obtained from 3DMPCs at different regions of interest was 0.08 with an average decrease of 58.93% compared to the results obtained from the single-frame of MS images without 3D radiometric calibration. The 3Dcalibrated plant 3DMPCs improved the predictive accuracy of partial least squares regression (PLSR) for chlorophyll content, with an average increase of 0.07 in the coefficient of determination (R Our approach introduced a fresh perspective on generating high-quality 3DMPCs of plants under the natural light condition, enabling more precise analysis of plant morphological and physiological parameters. Keywords: adaptive data acquisition; 3DMPC; NBV planning; radiometric calibration; NeREF; chlorophyll content 1. Introduction High-throughput plant phenotyping provides an unprecedented way to systematically evaluate plant development and functionality with the precise quantification of morphological, physiological, biochemical, and performance traits over the whole growth period. It can help on decision support in agriculture, for ecological diversity studies, and for crop breeding in the selection of superior genotypes to improve crop performance, and thus revolutionize the agriculture and breeding strategies to meet the future need of agricultural sustainable development (Freschet et al. 2018; Hu and Schmidhalter 2023).

Fitness functions map large combinatorial spaces of biological sequences to properties of interest. Inferring these multimodal functions from experimental data is a central task in modern protein engineering. Global epistasis models are an effective and physically-grounded class of models for estimating fitness functions from observed data. These models assume that a sparse latent function is transformed by a monotonic nonlinearity to emit measurable fitness. Here we demonstrate that minimizing contrastive loss functions, such as the Bradley-Terry loss, is a simple and flexible technique for extracting the sparse latent function implied by global epistasis. We argue by way of a fitness-epistasis uncertainty principle that the nonlinearities in global epistasis models can produce observed fitness functions that do not admit sparse representations, and thus may be inefficient to learn from observations when using a Mean Squared Error (MSE) loss (a common practice). We show that contrastive losses are able to accurately estimate a ranking function from limited data even in regimes where MSE is ineffective. We validate the practical utility of this insight by showing contrastive loss functions result in consistently improved performance on benchmark tasks.

Designing machine learning algorithms that are accurate yet fair, not discriminating based on any sensitive attribute, is of paramount importance for society to accept AI for critical applications. In this article, we propose a novel fair representation learning method termed the R\'enyi Fair Information Bottleneck Method (RFIB) which incorporates constraints for utility, fairness, and compactness (compression) of representation, and apply it to image and tabular data classification. A key attribute of our approach is that we consider - in contrast to most prior work - both demographic parity and equalized odds as fairness constraints, allowing for a more nuanced satisfaction of both criteria. Leveraging a variational approach, we show that our objectives yield a loss function involving classical Information Bottleneck (IB) measures and establish an upper bound in terms of two R\'enyi measures of order $\alpha$ on the mutual information IB term measuring compactness between the input and its encoded embedding. We study the influence of the $\alpha$ parameter as well as two other tunable IB parameters on achieving utility/fairness trade-off goals, and show that the $\alpha$ parameter gives an additional degree of freedom that can be used to control the compactness of the representation. Experimenting on three different image datasets (EyePACS, CelebA, and FairFace) and two tabular datasets (Adult and COMPAS), using both binary and categorical sensitive attributes, we show that on various utility, fairness, and compound utility/fairness metrics RFIB outperforms current state-of-the-art approaches.

We develop an NLP-based procedure for detecting systematic nonmeritorious consumer complaints, simply called systematic anomalies, among complaint narratives. While classification algorithms are used to detect pronounced anomalies, in the case of smaller and frequent systematic anomalies, the algorithms may falter due to a variety of reasons, including technical ones as well as natural limitations of human analysts. Therefore, as the next step after classification, we convert the complaint narratives into quantitative data, which are then analyzed using an algorithm for detecting systematic anomalies. We illustrate the entire procedure using complaint narratives from the Consumer Complaint Database of the Consumer Financial Protection Bureau.

Most machine learning methods require tuning of hyper-parameters. For kernel ridge regression with the Gaussian kernel, the hyper-parameter is the bandwidth. The bandwidth specifies the length scale of the kernel and has to be carefully selected to obtain a model with good generalization. The default methods for bandwidth selection, cross-validation and marginal likelihood maximization, often yield good results, albeit at high computational costs. Inspired by Jacobian regularization, we formulate an approximate expression for how the derivatives of the functions inferred by kernel ridge regression with the Gaussian kernel depend on the kernel bandwidth. We use this expression to propose a closed-form, computationally feather-light, bandwidth selection heuristic, based on controlling the Jacobian. In addition, the Jacobian expression illuminates how the bandwidth selection is a trade-off between the smoothness of the inferred function and the conditioning of the training data kernel matrix. We show on real and synthetic data that compared to cross-validation and marginal likelihood maximization, our method is on pair in terms of model performance, but up to six orders of magnitude faster.

Fox News Flash top headlines are here. Check out what's clicking on Foxnews.com. New York's prison system unfairly punished more than 2,000 prisoners after tests of suspected contraband substances falsely tested positive for drugs, according to a report released Thursday. In hundreds of cases, the prisoners had committed no offense, but the flawed results were used to put them in solitary confinement, halt family visits, or cancel parole hearings. The report by Inspector General Lucy Lang found that state prison staff failed to confirm the test results with an outside lab.

In this study, we propose a novel motif-based approach for unsupervised textile anomaly detection that combines the benefits of traditional convolutional neural networks with those of an unsupervised learning paradigm. It consists of five main steps: preprocessing, automatic pattern period extraction, patch extraction, features selection and anomaly detection. This proposed approach uses a new dynamic and heuristic method for feature selection which avoids the drawbacks of initialization of the number of filters (neurons) and their weights, and those of the backpropagation mechanism such as the vanishing gradients, which are common practice in the state-of-the-art methods. The design and training of the network are performed in a dynamic and input domain-based manner and, thus, no ad-hoc configurations are required. Before building the model, only the number of layers and the stride are defined. We do not initialize the weights randomly nor do we define the filter size or number of filters as conventionally done in CNN-based approaches. This reduces effort and time spent on hyperparameter initialization and fine-tuning. Only one defect-free sample is required for training and no further labeled data is needed. The trained network is then used to detect anomalies on defective fabric samples. We demonstrate the effectiveness of our approach on the Patterned Fabrics benchmark dataset. Our algorithm yields reliable and competitive results (on recall, precision, accuracy and f1- measure) compared to state-of-the-art unsupervised approaches, in less time, with efficient training in a single epoch and a lower computational cost.

Unsupervised representation learning aims at finding methods that learn representations from data without annotation-based signals. Abstaining from annotations not only leads to economic benefits but may - and to some extent already does - result in advantages regarding the representation's structure, robustness, and generalizability to different tasks. In the long run, unsupervised methods are expected to surpass their supervised counterparts due to the reduction of human intervention and the inherently more general setup that does not bias the optimization towards an objective originating from specific annotation-based signals. While major advantages of unsupervised representation learning have been recently observed in natural language processing, supervised methods still dominate in vision domains for most tasks. In this dissertation, we contribute to the field of unsupervised (visual) representation learning from three perspectives: (i) Learning representations: We design unsupervised, backpropagation-free Convolutional Self-Organizing Neural Networks (CSNNs) that utilize self-organization-and Hebbian-based learning rules to learn convolutional kernels and masks to achieve deeper backpropagation-free models. Thereby, we observe that backpropagation-based and -free methods can suffer from an objective function mismatch between the unsupervised pretext task and the target task. This mismatch can lead to performance decreases for the target task.