Machine learning (ML) technologies are known to be riddled with ethical and operational problems, however, we are witnessing an increasing thrust by businesses to deploy them in sensitive applications. One major issue among many is that ML models do not perform equally well for underrepresented groups. This puts vulnerable populations in an even disadvantaged and unfavorable position. We propose an approach that leverages the power of web search and generative models to alleviate some of the shortcomings of discriminative models. We demonstrate our method on an image classification problem using ImageNet's People Subtree subset, and show that it is effective in enhancing robustness and mitigating bias in certain classes that represent vulnerable populations (e.g., female doctor of color). Our new method is able to (1) identify weak decision boundaries for such classes; (2) construct search queries for Google as well as text for generating images through DALL-E 2 and Stable Diffusion; and (3) show how these newly captured training samples could alleviate population bias issue. While still improving the model's overall performance considerably, we achieve a significant reduction (77.30\%) in the model's gender accuracy disparity. In addition to these improvements, we observed a notable enhancement in the classifier's decision boundary, as it is characterized by fewer weakspots and an increased separation between classes. Although we showcase our method on vulnerable populations in this study, the proposed technique is extendable to a wide range of problems and domains.

Topology can extract the structural information in a dataset efficiently. In this paper, we attempt to incorporate topological information into a multiple output Gaussian process model for transfer learning purposes. To achieve this goal, we extend the framework of circular coordinates into a novel framework of mixed valued coordinates to take linear trends in the time series into consideration. One of the major challenges to learn from multiple time series effectively via a multiple output Gaussian process model is constructing a functional kernel. We propose to use topologically induced clustering to construct a cluster based kernel in a multiple output Gaussian process model. This kernel not only incorporates the topological structural information, but also allows us to put forward a unified framework using topological information in time and motion series.

ReParameterization (RP) Policy Gradient Methods (PGMs) have been widely adopted for continuous control tasks in robotics and computer graphics. However, recent studies have revealed that, when applied to long-term reinforcement learning problems, model-based RP PGMs may experience chaotic and non-smooth optimization landscapes with exploding gradient variance, which leads to slow convergence. This is in contrast to the conventional belief that reparameterization methods have low gradient estimation variance in problems such as training deep generative models. To comprehend this phenomenon, we conduct a theoretical examination of model-based RP PGMs and search for solutions to the optimization difficulties. Specifically, we analyze the convergence of the model-based RP PGMs and pinpoint the smoothness of function approximators as a major factor that affects the quality of gradient estimation. Based on our analysis, we propose a spectral normalization method to mitigate the exploding variance issue caused by long model unrolls. Our experimental results demonstrate that proper normalization significantly reduces the gradient variance of model-based RP PGMs. As a result, the performance of the proposed method is comparable or superior to other gradient estimators, such as the Likelihood Ratio (LR) gradient estimator. Our code is available at https://github.com/agentification/RP_PGM.

Cut-generating linear programs (CGLPs) play a key role as a separation oracle to produce valid inequalities for the feasible region of mixed-integer programs. When incorporated inside branch-and-bound, the cutting planes obtained from CGLPs help to tighten relaxations and improve dual bounds. However, running the CGLPs at the nodes of the branch-and-bound tree is computationally cumbersome due to the large number of node candidates and the lack of a priori knowledge on which nodes admit useful cutting planes. As a result, CGLPs are often avoided at default settings of branch-and-cut algorithms despite their potential impact on improving dual bounds. In this paper, we propose a novel framework based on machine learning to approximate the optimal value of a CGLP class that determines whether a cutting plane can be generated at a node of the branch-and-bound tree. Translating the CGLP as an indicator function of the objective function vector, we show that it can be approximated through conventional data classification techniques. We provide a systematic procedure to efficiently generate training data sets for the corresponding classification problem based on the CGLP structure. We conduct computational experiments on benchmark instances using classification methods such as logistic regression. These results suggest that the approximate CGLP obtained from classification can improve the solution time compared to that of conventional cutting plane methods. Our proposed framework can be efficiently applied to a large number of nodes in the branch-and-bound tree to identify the best candidates for adding a cut.

Biological and artificial learning agents face numerous choices about how to learn, ranging from hyperparameter selection to aspects of task distributions like curricula. Understanding how to make these meta-learning choices could offer normative accounts of cognitive control functions in biological learners and improve engineered systems. Yet optimal strategies remain challenging to compute in modern deep networks due to the complexity of optimizing through the entire learning process. Here we theoretically investigate optimal strategies in a tractable setting. We present a learning effort framework capable of efficiently optimizing control signals on a fully normative objective: discounted cumulative performance throughout learning. We obtain computational tractability by using average dynamical equations for gradient descent, available for simple neural network architectures. Our framework accommodates a range of meta-learning and automatic curriculum learning methods in a unified normative setting. We apply this framework to investigate the effect of approximations in common meta-learning algorithms; infer aspects of optimal curricula; and compute optimal neuronal resource allocation in a continual learning setting. Across settings, we find that control effort is most beneficial when applied to easier aspects of a task early in learning; followed by sustained effort on harder aspects. Overall, the learning effort framework provides a tractable theoretical test bed to study normative benefits of interventions in a variety of learning systems, as well as a formal account of optimal cognitive control strategies over learning trajectories posited by established theories in cognitive neuroscience.

With the rise of Transformers and Large Language Models (LLMs) in Chemistry and Biology, new avenues for the design and understanding of therapeutics have opened up to the scientific community. Protein sequences can be modeled as language and can take advantage of recent advances in LLMs, specifically with the abundance of our access to the protein sequence datasets. In this paper, we developed the GPCR-BERT model for understanding the sequential design of G Protein-Coupled Receptors (GPCRs). GPCRs are the target of over one-third of FDA-approved pharmaceuticals. However, there is a lack of comprehensive understanding regarding the relationship between amino acid sequence, ligand selectivity, and conformational motifs (such as NPxxY, CWxP, E/DRY). By utilizing the pre-trained protein model (Prot-Bert) and fine-tuning with prediction tasks of variations in the motifs, we were able to shed light on several relationships between residues in the binding pocket and some of the conserved motifs. To achieve this, we took advantage of attention weights, and hidden states of the model that are interpreted to extract the extent of contributions of amino acids in dictating the type of masked ones. The fine-tuned models demonstrated high accuracy in predicting hidden residues within the motifs. In addition, the analysis of embedding was performed over 3D structures to elucidate the higher-order interactions within the conformations of the receptors.

Currently, almost all direct marketing activities take place virtually rather than in person, weakening interpersonal skills at an alarming pace. Furthermore, businesses have been striving to sense and foster the tendency of their clients to accept a marketing offer. The digital transformation and the increased virtual presence forced firms to seek novel marketing research approaches. This research aims at leveraging the power of telemarketing data in modeling the willingness of clients to make a term deposit and finding the most significant characteristics of the clients. Real-world data from a Portuguese bank and national socio-economic metrics are used to model the telemarketing decision-making process. This research makes two key contributions. First, propose a novel genetic algorithm-based classifier to select the best discriminating features and tune classifier parameters simultaneously. Second, build an explainable prediction model. The best-generated classification models were intensively validated using 50 times repeated 10-fold stratified cross-validation and the selected features have been analyzed. The models significantly outperform the related works in terms of class of interest accuracy, they attained an average of 89.07\% and 0.059 in terms of geometric mean and type I error respectively. The model is expected to maximize the potential profit margin at the least possible cost and provide more insights to support marketing decision-making.

The transportation industry, particularly the trucking sector, is prone to workplace accidents and fatalities. Accidents involving large trucks accounted for a considerable percentage of overall traffic fatalities. Recognizing the crucial role of safety climate in accident prevention, researchers have sought to understand its factors and measure its impact within organizations. While existing data-driven safety climate studies have made remarkable progress, clustering employees based on their safety climate perception is innovative and has not been extensively utilized in research. Identifying clusters of drivers based on their safety climate perception allows the organization to profile its workforce and devise more impactful interventions. The lack of utilizing the clustering approach could be due to difficulties interpreting or explaining the factors influencing employees' cluster membership. Moreover, existing safety-related studies did not compare multiple clustering algorithms, resulting in potential bias. To address these issues, this study introduces an interpretable clustering approach for safety climate analysis. This study compares 5 algorithms for clustering truck drivers based on their safety climate perceptions. It proposes a novel method for quantitatively evaluating partial dependence plots (QPDP). To better interpret the clustering results, this study introduces different interpretable machine learning measures (SHAP, PFI, and QPDP). Drawing on data collected from more than 7,000 American truck drivers, this study significantly contributes to the scientific literature. It highlights the critical role of supervisory care promotion in distinguishing various driver groups. The Python code is available at https://github.com/NUS-DBE/truck-driver-safety-climate.

In real-world scenarios, achieving domain generalization (DG) presents significant challenges as models are required to generalize to unknown target distributions. Generalizing to unseen multi-modal distributions poses even greater difficulties due to the distinct properties exhibited by different modalities. To overcome the challenges of achieving domain generalization in multi-modal scenarios, we propose SimMMDG, a simple yet effective multi-modal DG framework. We argue that mapping features from different modalities into the same embedding space impedes model generalization. To address this, we propose splitting the features within each modality into modality-specific and modality-shared components. We employ supervised contrastive learning on the modality-shared features to ensure they possess joint properties and impose distance constraints on modality-specific features to promote diversity. In addition, we introduce a cross-modal translation module to regularize the learned features, which can also be used for missing-modality generalization. We demonstrate that our framework is theoretically well-supported and achieves strong performance in multi-modal DG on the EPIC-Kitchens dataset and the novel Human-Animal-Cartoon (HAC) dataset introduced in this paper. Our source code and HAC dataset are available at https://github.com/donghao51/SimMMDG.

Learning from preference-based feedback has recently gained considerable traction as a promising approach to align generative models with human interests. Instead of relying on numerical rewards, the generative models are trained using reinforcement learning with human feedback (RLHF). These approaches first solicit feedback from human labelers typically in the form of pairwise comparisons between two possible actions, then estimate a reward model using these comparisons, and finally employ a policy based on the estimated reward model. An adversarial attack in any step of the above pipeline might reveal private and sensitive information of human labelers. In this work, we adopt the notion of label differential privacy (DP) and focus on the problem of reward estimation from preference-based feedback while protecting privacy of each individual labelers. Specifically, we consider the parametric Bradley-Terry-Luce (BTL) model for such pairwise comparison feedback involving a latent reward parameter $\theta^* \in \mathbb{R}^d$. Within a standard minimax estimation framework, we provide tight upper and lower bounds on the error in estimating $\theta^*$ under both local and central models of DP. We show, for a given privacy budget $\epsilon$ and number of samples $n$, that the additional cost to ensure label-DP under local model is $\Theta \big(\frac{1}{ e^\epsilon-1}\sqrt{\frac{d}{n}}\big)$, while it is $\Theta\big(\frac{\text{poly}(d)}{\epsilon n} \big)$ under the weaker central model. We perform simulations on synthetic data that corroborate these theoretical results.