Physical activity energy expenditure (PAEE) can be measured from breath-by-breath respiratory data, which can serve as a reference. Alternatively, PAEE can be predicted from the body movements, which can be measured and estimated with accelerometers. The body center of mass (COM) acceleration reflects the movements of the whole body and thus serves as a good predictor for PAEE. However, the wrist has also become a popular location due to recent advancements in wrist-worn devices. Therefore, in this work, using the respiratory data measured by COSMED K5 as the reference, we evaluated and compared the performances of COM-based settings and wrist-based settings. The COM-based settings include two different accelerometer compositions, using only the pelvis accelerometer (pelvis-acc) and the pelvis accelerometer with two accelerometers from two thighs (3-acc). The wrist-based settings include using only the left wrist accelerometer (l-wrist-acc) and only the right wrist accelerometer (r-wrist-acc). We implemented two existing PAEE estimation methods on our collected dataset, where 9 participants performed activities of daily living while wearing 5 accelerometers (i.e., pelvis, two thighs, and two wrists). These two methods include a linear regression (LR) model and a CNN-LSTM model. Both models yielded the best results with the COM-based 3-acc setting (LR: $R^2$ = 0.41, CNN-LSTM: $R^2$ = 0.53). No significant difference was found between the 3-acc and pelvis-acc settings (p-value = 0.278). For both models, neither the l-wrist-acc nor the r-wrist-acc settings demonstrated predictive power on PAEE with $R^2$ values close to 0, significantly outperformed by the two COM-based settings (p-values $<$ 0.05). No significant difference was found between the two wrists (p-value = 0.329).

In retail sales forecasting, accurately predicting future sales is crucial for inventory management and strategic planning. Traditional methods like LR often fall short due to the complexity of sales data, which includes seasonality and numerous product families. Recent advancements in machine learning (ML) provide more robust alternatives. This research benefits from the power of ML, particularly Random Forest (RF), Gradient Boosting (GB), Support Vector Regression (SVR), and XGBoost, to improve prediction accuracy. Despite advancements, a significant gap exists in handling complex datasets with high seasonality and multiple product families. The proposed solution involves implementing and optimizing a RF model, leveraging hyperparameter tuning through randomized search cross-validation. This approach addresses the complexities of the dataset, capturing intricate patterns that traditional methods miss. The optimized RF model achieved an R-squared value of 0.945, substantially higher than the initial RF model and traditional LR, which had an R-squared of 0.531. The model reduced the root mean squared logarithmic error (RMSLE) to 1.172, demonstrating its superior predictive capability. The optimized RF model did better than cutting-edge models like Gradient Boosting (R-squared: 0.942), SVR (R-squared: 0.940), and XGBoost (R-squared: 0.939), with more minor mean squared error (MSE) and mean absolute error (MAE) numbers. The results demonstrate that the optimized RF model excels in forecasting retail sales, handling the datasets complexity with higher accuracy and reliability. This research highlights the importance of advanced ML techniques in predictive analytics, offering a significant improvement over traditional methods and other contemporary models.

Fairness in machine learning seeks to mitigate model bias against individuals based on sensitive features such as sex or age, often caused by an uneven representation of the population in the training data due to selection bias. Notably, bias unascribed to sensitive features is challenging to identify and typically goes undiagnosed, despite its prominence in complex high-dimensional data from fields like computer vision and molecular biomedicine. Strategies to mitigate unidentified bias and evaluate mitigation methods are crucially needed, yet remain underexplored. We introduce: (i) Diverse Class-Aware Self-Training (DCAST), model-agnostic mitigation aware of class-specific bias, which promotes sample diversity to counter confirmation bias of conventional self-training while leveraging unlabeled samples for an improved representation of the underlying population; (ii) hierarchy bias, multivariate and class-aware bias induction without prior knowledge. Models learned with DCAST showed improved robustness to hierarchy and other biases across eleven datasets, against conventional self-training and six prominent domain adaptation techniques. Advantage was largest on multi-class classification, emphasizing DCAST as a promising strategy for fairer learning in different contexts.

Data characterized by high dimensionality and sparsity are commonly used to describe real-world node interactions. Low-rank representation (LR) can map high-dimensional sparse (HDS) data to low-dimensional feature spaces and infer node interactions via modeling data latent associations. Unfortunately, existing optimization algorithms for LR models are computationally inefficient and slowly convergent on large-scale datasets. To address this issue, this paper proposes an Accelerated Asynchronous Parallel Stochastic Gradient Descent A2PSGD for High-Dimensional Sparse Data Low-rank Representation with three fold-ideas: a) establishing a lock-free scheduler to simultaneously respond to scheduling requests from multiple threads; b) introducing a greedy algorithm-based load balancing strategy for balancing the computational load among threads; c) incorporating Nesterov's accelerated gradient into the learning scheme to accelerate model convergence. Empirical studies show that A2PSGD outperforms existing optimization algorithms for HDS data LR in both accuracy and training time.

Message passing neural networks (MPNNs) [18-learn from reference quantum mechanical calculations 21] employ a number of graph convolution layers to communicate and then predict the energy and forces of atomic configurations information between atoms, thereby capturing quickly, thus allowing for a more accurate long-range interaction up to the local cutoff radius times and comprehensive exploration of material and molecular the number of layers. However, if parts of the system are properties at scale [1, 2]. Most state-of-the-art MLIP disconnected on the graph, e.g. two molecules with a distance methods use a short-range approximation: the effective beyond the cutoff, the message passing scheme does potential energy surface experienced by one atom is determined not help. A very interesting approach is the long-distance by its atomic neighborhood.

Fake news detection models are critical to countering disinformation but can be manipulated through adversarial attacks. In this position paper, we analyze how an attacker can compromise the performance of an online learning detector on specific news content without being able to manipulate the original target news. In some contexts, such as social networks, where the attacker cannot exert complete control over all the information, this scenario can indeed be quite plausible. Therefore, we show how an attacker could potentially introduce poisoning data into the training data to manipulate the behavior of an online learning method. Our initial findings reveal varying susceptibility of logistic regression models based on complexity and attack type.

Teaching agents to follow complex written instructions has been an important yet elusive goal. One technique for enhancing learning efficiency is language reward shaping (LRS). Within a reinforcement learning (RL) framework, LRS involves training a reward function that rewards behaviours precisely aligned with given language instructions. We argue that the apparent success of LRS is brittle, and prior positive findings can be attributed to weak RL baselines. Specifically, we identified suboptimal LRS designs that reward partially matched trajectories, and we characterised a novel reward perturbation to capture this issue using the concept of loosening task constraints. We provided theoretical and empirical evidence that agents trained using LRS rewards converge more slowly compared to pure RL agents. Our work highlights the brittleness of existing LRS methods, which has been overlooked in the previous studies.

Machine Learning (ML) models are widely employed to drive many modern data systems. While they are undeniably powerful tools, ML models often demonstrate imbalanced performance and unfair behaviors. The root of this problem often lies in the fact that different subpopulations commonly display divergent trends: as a learning algorithm tries to identify trends in the data, it naturally favors the trends of the majority groups, leading to a model that performs poorly and unfairly for minority populations. Our goal is to improve the fairness and trustworthiness of ML models by applying only non-invasive interventions, i.e., without altering the data or the learning algorithm. We use a simple but key insight: the divergence of trends between different populations, and, consecutively, between a learned model and minority populations, is analogous to data drift, which indicates the poor conformance between parts of the data and the trained model. We explore two strategies (model-splitting and reweighing) to resolve this drift, aiming to improve the overall conformance of models to the underlying data. Both our methods introduce novel ways to employ the recently-proposed data profiling primitive of Conformance Constraints. Our experimental evaluation over 7 real-world datasets shows that both DifFair and ConFair improve the fairness of ML models. We demonstrate scenarios where DifFair has an edge, though ConFair has the greatest practical impact and outperforms other baselines. Moreover, as a model-agnostic technique, ConFair stays robust when used against different models than the ones on which the weights have been learned, which is not the case for other state of the art.

Background: Mental illness can lead to adverse outcomes such as homelessness and police interaction and understanding of the events leading up to these adverse outcomes is important. Predictive models may help identify individuals at risk of such adverse outcomes. Using a fixed observation window cohort with logistic regression (LR) or machine learning (ML) models can result in lower performance when compared with adaptive and parcellated windows. Method: An administrative healthcare dataset was used, comprising of 240,219 individuals in Calgary, Alberta, Canada who were diagnosed with addiction or mental health (AMH) between April 1, 2013, and March 31, 2018. The cohort was followed for 2 years to identify factors associated with homelessness and police interactions. To understand the benefit of flexible windows to predictive models, an alternative cohort was created. Then LR and ML models, including random forests (RF), and extreme gradient boosting (XGBoost) were compared in the two cohorts. Results: Among 237,602 individuals, 0.8% (1,800) experienced first homelessness, while 0.32% (759) reported initial police interaction among 237,141 individuals. Male sex (AORs: H=1.51, P=2.52), substance disorder (AORs: H=3.70, P=2.83), psychiatrist visits (AORs: H=1.44, P=1.49), and drug abuse (AORs: H=2.67, P=1.83) were associated with initial homelessness (H) and police interaction (P). XGBoost showed superior performance using the flexible method (sensitivity =91%, AUC =90% for initial homelessness, and sensitivity =90%, AUC=89% for initial police interaction) Conclusion: This study identified key features associated with initial homelessness and police interaction and demonstrated that flexible windows can improve predictive modeling.

Federated Learning (FL) wherein multiple institutions collaboratively train a machine learning model without sharing data is becoming popular. Participating institutions might not contribute equally - some contribute more data, some better quality data or some more diverse data. To fairly rank the contribution of different institutions, Shapley value (SV) has emerged as the method of choice. Exact SV computation is impossibly expensive, especially when there are hundreds of contributors. Existing SV computation techniques use approximations. However, in healthcare where the number of contributing institutions are likely not of a colossal scale, computing exact SVs is still exorbitantly expensive, but not impossible. For such settings, we propose an efficient SV computation technique called SaFE (Shapley Value for Federated Learning using Ensembling). We empirically show that SaFE computes values that are close to exact SVs, and that it performs better than current SV approximations. This is particularly relevant in medical imaging setting where widespread heterogeneity across institutions is rampant and fast accurate data valuation is required to determine the contribution of each participant in multi-institutional collaborative learning.