For many call centers, customer satisfaction (CSAT) is a key performance indicator (KPI). However, only a fraction of customers take the CSAT survey after the call, leading to a biased and inaccurate average CSAT value, and missed opportunities for coaching, follow-up, and rectification. Therefore, call centers can benefit from a model predicting customer satisfaction on calls where the customer did not complete the survey. Given that CSAT is a closely monitored KPI, it is critical to minimize any bias in the average predicted CSAT (pCSAT). In this paper, we introduce a method such that predicted CSAT (pCSAT) scores accurately replicate the distribution of survey CSAT responses for every call center with sufficient data in a live production environment. The method can be applied to many multiclass classification problems to improve the class balance and minimize its changes upon model updates.

Data pruning is the problem of identifying a core subset that is most beneficial to training and discarding the remainder. While pruning strategies are well studied for discriminative models like those used in classification, little research has gone into their application to generative models. Generative models aim to estimate the underlying distribution of the data, so presumably they should benefit from larger datasets. In this work we aim to shed light on the accuracy of this statement, specifically answer the question of whether data pruning for generative diffusion models could have a positive impact. Contrary to intuition, we show that eliminating redundant or noisy data in large datasets is beneficial particularly when done strategically. We experiment with several pruning methods including recent-state-of-art methods, and evaluate over CelebA-HQ and ImageNet datasets. We demonstrate that a simple clustering method outperforms other sophisticated and computationally demanding methods. We further exhibit how we can leverage clustering to balance skewed datasets in an unsupervised manner to allow fair sampling for underrepresented populations in the data distribution, which is a crucial problem in generative models.

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still struggle to generalise well beyond datasets that exhibit strong homophily, where nodes of the same class tend to connect. This limitation has led to the development of complex neural architectures that pose challenges in terms of efficiency and scalability. In response to these limitations, we focus on simpler and more scalable approaches and introduce Graph-aware Logistic Regression (GLR), a non-neural model designed for node classification tasks. Unlike traditional graph algorithms that use only a fraction of the information accessible to GNNs, our proposed model simultaneously leverages both node features and the relationships between entities. However instead of relying on message passing, our approach encodes each node's relationships as an additional feature vector, which is then combined with the node's self attributes. Extensive experimental results, conducted within a rigorous evaluation framework, show that our proposed GLR approach outperforms both foundational and sophisticated state-of-the-art GNN models in node classification tasks. Going beyond the traditional limited benchmarks, our experiments indicate that GLR increases generalisation ability while reaching performance gains in computation time up to two orders of magnitude compared to it best neural competitor.

Federated Learning (FL) is a decentralized learning approach that protects sensitive information by utilizing local model parameters rather than sharing clients' raw datasets. While this privacy-preserving method is widely employed across various applications, it still requires significant development and optimization. Automated Machine Learning (Auto-ML) has been adapted for reducing the need for manual adjustments. Previous studies have explored the integration of AutoML with different FL algorithms to evaluate their effectiveness in enhancing FL settings. However, Automated FL (Auto-FL) faces additional challenges due to the involvement of a large cohort of clients and global training rounds between clients and the server, rendering the tuning process time-consuming and nearly impossible on resource-constrained edge devices (e.g., IoT devices). This paper investigates the deployment and integration of two lightweight Hyper-Parameter Optimization (HPO) tools, Raytune and Optuna, within the context of FL settings. A step-wise feedback mechanism has also been designed to accelerate the hyper-parameter tuning process and coordinate AutoML toolkits with the FL server. To this end, both local and global feedback mechanisms are integrated to limit the search space and expedite the HPO process. Further, a novel client selection technique is introduced to mitigate the straggler effect in Auto-FL. The selected hyper-parameter tuning tools are evaluated using two benchmark datasets, FEMNIST, and CIFAR10. Further, the paper discusses the essential properties of successful HPO tools, the integration mechanism with the FL pipeline, and the challenges posed by the distributed and heterogeneous nature of FL environments.

Accurate prediction of chemical reaction yields is crucial for optimizing organic synthesis, potentially reducing time and resources spent on experimentation. With the rise of artificial intelligence (AI), there is growing interest in leveraging AI-based methods to accelerate yield predictions without conducting in vitro experiments. We present log-RRIM, an innovative graph transformer-based framework designed for predicting chemical reaction yields. Our approach implements a unique local-to-global reaction representation learning strategy. This approach initially captures detailed molecule-level information and then models and aggregates intermolecular interactions, ensuring that the impact of varying-sizes molecular fragments on yield is accurately accounted for. Another key feature of log-RRIM is its integration of a cross-attention mechanism that focuses on the interplay between reagents and reaction centers. This design reflects a fundamental principle in chemical reactions: the crucial role of reagents in influencing bond-breaking and formation processes, which ultimately affect reaction yields. log-RRIM outperforms existing methods in our experiments, especially for medium to high-yielding reactions, proving its reliability as a predictor. Its advanced modeling of reactant-reagent interactions and sensitivity to small molecular fragments make it a valuable tool for reaction planning and optimization in chemical synthesis. The data and codes of log-RRIM are accessible through https://github.com/ninglab/Yield_log_RRIM.

We introduce a novel framework called combinatorial logistic bandits (CLogB), where in each round, a subset of base arms (called the super arm) is selected, with the outcome of each base arm being binary and its expectation following a logistic parametric model. The feedback is governed by a general arm triggering process. Our study covers CLogB with reward functions satisfying two smoothness conditions, capturing application scenarios such as online content delivery, online learning to rank, and dynamic channel allocation. We first propose a simple yet efficient algorithm, CLogUCB, utilizing a variance-agnostic exploration bonus. Under the 1-norm triggering probability modulated (TPM) smoothness condition, CLogUCB achieves a regret bound of $\tilde{O}(d\sqrt{\kappa KT})$, where $\tilde{O}$ ignores logarithmic factors, $d$ is the dimension of the feature vector, $\kappa$ represents the nonlinearity of the logistic model, and $K$ is the maximum number of base arms a super arm can trigger. This result improves on prior work by a factor of $\tilde{O}(\sqrt{\kappa})$. We then enhance CLogUCB with a variance-adaptive version, VA-CLogUCB, which attains a regret bound of $\tilde{O}(d\sqrt{KT})$ under the same 1-norm TPM condition, improving another $\tilde{O}(\sqrt{\kappa})$ factor. VA-CLogUCB shows even greater promise under the stronger triggering probability and variance modulated (TPVM) condition, achieving a leading $\tilde{O}(d\sqrt{T})$ regret, thus removing the additional dependency on the action-size $K$. Furthermore, we enhance the computational efficiency of VA-CLogUCB by eliminating the nonconvex optimization process when the context feature map is time-invariant while maintaining the tight $\tilde{O}(d\sqrt{T})$ regret. Finally, experiments on synthetic and real-world datasets demonstrate the superior performance of our algorithms compared to benchmark algorithms.

A significant approach in natural language processing involves large-scale pre-training models on general domain data followed by their adaptation to specific tasks or domains. As models grow in size, full fine-tuning all of their parameters becomes increasingly impractical. To address this, some methods for low-rank task adaptation of language models have been proposed, e.g., LoRA and FLoRA. These methods keep the pre-trained model weights fixed and incorporate trainable low-rank decomposition matrices into some layers of the transformer architecture, called adapters. This approach significantly reduces the number of trainable parameters required for downstream tasks compared to full fine-tuning all parameters. In this work, we look at low-rank adaptation from the lens of data privacy. We show theoretically that the low-rank adaptation used in LoRA and FLoRA is equivalent to injecting some random noise into the batch gradients w.r.t the adapter parameters, and we quantify the variance of the injected noise. By establishing a Berry-Esseen type bound on the total variation distance between distribution of the injected noise and a Gaussian distribution with the same variance, we show that the dynamics of low-rank adaptation is close to that of differentially private fine-tuning of the adapters. Finally, using Johnson-Lindenstrauss lemma, we show that when augmented with gradient scaling, low-rank adaptation is very close to performing DPSGD algorithm with a fixed noise scale to fine-tune the adapters. These theoretical findings suggest that unlike other existing fine-tuning algorithms, low-rank adaptation provides privacy w.r.t the fine-tuning data implicitly.

This article addresses the challenge of parameter calibration in stochastic models where the likelihood function is not analytically available. We propose a gradient-based simulated parameter estimation framework, leveraging a multi-time scale algorithm that tackles the issue of ratio bias in both maximum likelihood estimation and posterior density estimation problems. Additionally, we introduce a nested simulation optimization structure, providing theoretical analyses including strong convergence, asymptotic normality, convergence rate, and budget allocation strategies for the proposed algorithm. The framework is further extended to neural network training, offering a novel perspective on stochastic approximation in machine learning. Numerical experiments show that our algorithm can improve the estimation accuracy and save computational costs.

Learning a reward model (RM) from human preferences has been an important component in aligning large language models (LLMs). The canonical setup of learning RMs from pairwise preference data is rooted in the classic Bradley-Terry (BT) model that accepts binary feedback, i.e., the label being either Response 1 is better than Response 2, or the opposite. Such a setup inevitably discards potentially useful samples (such as "tied" between the two responses) and loses more fine-grained information (such as "slightly better"). In this paper, we propose a framework for learning RMs under ordinal feedback which generalizes the case of binary preference feedback to any arbitrary granularity. Specifically, we first identify a marginal unbiasedness condition, which generalizes the assumption of the BT model in the existing binary feedback setting. The condition validates itself via the sociological concept of the wisdom of the crowd. Under the condition, we develop a natural probability model for pairwise preference data under ordinal feedback and analyze its properties. We prove the statistical benefits of ordinal feedback in terms of reducing the Rademacher complexity compared to the case of binary feedback. The proposed learning objective and the theory also extend to hinge loss and direct policy optimization (DPO). In particular, the theoretical analysis may be of independent interest when applying to a seemingly unrelated problem of knowledge distillation to interpret the bias-variance trade-off therein. The framework also sheds light on writing guidance for human annotators. Our numerical experiments validate that fine-grained feedback leads to better reward learning for both in-distribution and out-of-distribution settings. Further experiments show that incorporating a certain proportion of samples with tied preference boosts RM learning.

We consider estimation of a linear functional of the treatment effect using adaptively collected data. This task finds a variety of applications including the off-policy evaluation (\textsf{OPE}) in contextual bandits, and estimation of the average treatment effect (\textsf{ATE}) in causal inference. While a certain class of augmented inverse propensity weighting (\textsf{AIPW}) estimators enjoys desirable asymptotic properties including the semi-parametric efficiency, much less is known about their non-asymptotic theory with adaptively collected data. To fill in the gap, we first establish generic upper bounds on the mean-squared error of the class of AIPW estimators that crucially depends on a sequentially weighted error between the treatment effect and its estimates. Motivated by this, we also propose a general reduction scheme that allows one to produce a sequence of estimates for the treatment effect via online learning to minimize the sequentially weighted estimation error. To illustrate this, we provide three concrete instantiations in (\romannumeral 1) the tabular case; (\romannumeral 2) the case of linear function approximation; and (\romannumeral 3) the case of general function approximation for the outcome model. We then provide a local minimax lower bound to show the instance-dependent optimality of the \textsf{AIPW} estimator using no-regret online learning algorithms.