Virtually all federated learning (FL) methods, including FedAvg, operate in the following manner: i) an orchestrating server sends the current model parameters to a cohort of clients selected via certain rule, ii) these clients then independently perform a local training procedure (e.g., via SGD or Adam) using their own training data, and iii) the resulting models are shipped to the server for aggregation. This process is repeated until a model of suitable quality is found. A notable feature of these methods is that each cohort is involved in a single communication round with the server only. In this work we challenge this algorithmic design primitive and investigate whether it is possible to ``squeeze more juice" out of each cohort than what is possible in a single communication round. Surprisingly, we find that this is indeed the case, and our approach leads to up to 74% reduction in the total communication cost needed to train a FL model in the cross-device setting. Our method is based on a novel variant of the stochastic proximal point method (SPPM-AS) which supports a large collection of client sampling procedures some of which lead to further gains when compared to classical client selection approaches.

Cardinality estimation (CardEst) is essential for optimizing query execution plans. Recent ML-based CardEst methods achieve high accuracy but face deployment challenges due to high preparation costs and lack of transferability across databases. In this paper, we propose PRICE, a PRetrained multI-table CardEst model, which addresses these limitations. PRICE takes low-level but transferable features w.r.t. data distributions and query information and elegantly applies self-attention models to learn meta-knowledge to compute cardinality in any database. It is generally applicable to any unseen new database to attain high estimation accuracy, while its preparation cost is as little as the basic one-dimensional histogram-based CardEst methods. Moreover, PRICE can be finetuned to further enhance its performance on any specific database. We pretrained PRICE using 30 diverse datasets, completing the process in about 5 hours with a resulting model size of only about 40MB. Evaluations show that PRICE consistently outperforms existing methods, achieving the highest estimation accuracy on several unseen databases and generating faster execution plans with lower overhead. After finetuning with a small volume of databasespecific queries, PRICE could even find plans very close to the optimal ones. Meanwhile, PRICE is generally applicable to different settings such as data updates, data scaling, and query workload shifts. We have made all of our data and codes publicly available at https://github.com/StCarmen/PRICE.

While distributed training is often viewed as a solution to optimizing linear models on increasingly large datasets, inter-machine communication costs of popular distributed approaches can dominate as data dimensionality increases. Recent work on non-interactive algorithms shows that approximate solutions for linear models can be obtained efficiently with only a single round of communication among machines. However, this approximation often degenerates as the number of machines increases. In this paper, building on the recent optimal weighted average method, we introduce a new technique, ACOWA, that allows an extra round of communication to achieve noticeably better approximation quality with minor runtime increases. Results show that for sparse distributed logistic regression, ACOWA obtains solutions that are more faithful to the empirical risk minimizer and attain substantially higher accuracy than other distributed algorithms.

Expectation propagation (EP) is a family of algorithms for performing approximate inference in probabilistic models. The updates of EP involve the evaluation of moments -- expectations of certain functions -- which can be estimated from Monte Carlo (MC) samples. However, the updates are not robust to MC noise when performed naively, and various prior works have attempted to address this issue in different ways. In this work, we provide a novel perspective on the moment-matching updates of EP; namely, that they perform natural-gradient-based optimisation of a variational objective. We use this insight to motivate two new EP variants, with updates that are particularly well-suited to MC estimation; they remain stable and are most sample-efficient when estimated with just a single sample. These new variants combine the benefits of their predecessors and address key weaknesses. In particular, they are easier to tune, offer an improved speed-accuracy trade-off, and do not rely on the use of debiasing estimators. We demonstrate their efficacy on a variety of probabilistic inference tasks.

Deep learning holds a big promise for optimizing existing peptides with more desirable properties, a critical step towards accelerating new drug discovery. Despite the recent emergence of several optimized Antimicrobial peptides(AMP) generation methods, multi-objective optimizations remain still quite challenging for the idealism-realism tradeoff. Here, we establish a multi-objective AMP synthesis pipeline (MoFormer) for the simultaneous optimization of multi-attributes of AMPs. MoFormer improves the desired attributes of AMP sequences in a highly structured latent space, guided by conditional constraints and fine-grained multi-descriptor.We show that MoFormer outperforms existing methods in the generation task of enhanced antimicrobial activity and minimal hemolysis. We also utilize a Pareto-based non-dominated sorting algorithm and proxies based on large model fine-tuning to hierarchically rank the candidates. We demonstrate substantial property improvement using MoFormer from two perspectives: (1) employing molecular simulations and scoring interactions among amino acids to decipher the structure and functionality of AMPs; (2) visualizing latent space to examine the qualities and distribution features, verifying an effective means to facilitate multi-objective optimization AMPs with design constraints.

Feature learning has long been considered to be a major advantage of neural networks. However, how gradient-based training algorithms can learn useful features is not well-understood. In particular, the most widely applied analysis for overparametrized neural networks is the neural tangent kernel(NTK)(Jacot et al., 2018; Du et al., 2019; Allen-Zhu et al., 2019b). In this setting, the neurons don't move far from their initialization and the features are determined by the network architecture and random initialization (Chizat et al., 2019). While there are empirical and theoretical evidence on the limitation of NTK regime (Chizat et al., 2019; Arora et al., 2019), extending the analysis beyond the NTK regime has been challenging. For 2-layer networks, an alternative framework for analyzing overparametrized neural networks called mean-field analysis was introduced. Earlier mean-field analysis (e.g., Chizat and Bach, 2018; Mei et al., 2018) require either infinite or exponentially many neurons. Later works (e.g., Li et al., 2020; Ge et al., 2021; Bietti et al., 2022; Mahankali et al., 2024) can analyze the training dynamics of mildly overparametrized networks with polynomially many neurons with stronger assumptions on the ground-truth function.

One of today's primary priorities of companies is to improve the Customer Experience (CX) to increase customer satisfaction and reduce churn. However, "just 2 percent of organizations reached the top stage of CX maturity [and] most organizations are in early stages of CX maturity" (Dorsey et al., 2022). According to a recent study by Qualtrics (2022), 47 percent of customers ranked support as the second most important area of improvement in CX. One major factor of customer satisfaction identified in recent research (e.g., Service Excellence Research Group, 2021) is the speed at which customer support answers customer inquiries. Demand for customer support is rising and often exceeds the supply of available support agents. Especially missing knowledge and multiple re-routings between support agents are major factors for delays in resolution time. Further research suggests that due to information overload, the quality of decisions decreases with the number of decisions (Hemp, 2009; Viegas et al., 2015). In most recent studies, lack of time and resources are mentioned as the main issues in customer support, which harm the performance and, ultimately, the customer experience (HubSpot, 2022; Serrano et al., 2021).

Tabular data is prevalent in many critical domains, yet it is often challenging to acquire in large quantities. This scarcity usually results in poor performance of machine learning models on such data. Data augmentation, a common strategy for performance improvement in vision and language tasks, typically underperforms for tabular data due to the lack of explicit symmetries in the input space. To overcome this challenge, we introduce TabMDA, a novel method for manifold data augmentation on tabular data. This method utilises a pre-trained in-context model, such as TabPFN, to map the data into a manifold space. TabMDA performs label-invariant transformations by encoding the data multiple times with varied contexts. This process explores the manifold of the underlying in-context models, thereby enlarging the training dataset. TabMDA is a training-free method, making it applicable to any classifier. We evaluate TabMDA on five standard classifiers and observe significant performance improvements across various tabular datasets. Our results demonstrate that TabMDA provides an effective way to leverage information from pre-trained in-context models to enhance the performance of downstream classifiers.

Measuring the value of individual samples is critical for many data-driven tasks, e.g., the training of a deep learning model. Recent literature witnesses the substantial efforts in developing data valuation methods. The primary data valuation methodology is based on the Shapley value from game theory, and various methods are proposed along this path. {Even though Shapley value-based valuation has solid theoretical basis, it is entirely an experiment-based approach and no valuation model has been constructed so far.} In addition, current data valuation methods ignore the interpretability of the output values, despite an interptable data valuation method is of great helpful for applications such as data pricing. This study aims to answer an important question: is data valuation learnable and interpretable? A learned valuation model have several desirable merits such as fixed number of parameters and knowledge reusability. An intrepretable data valuation model can explain why a sample is valuable or invaluable. To this end, two new data value modeling frameworks are proposed, in which a multi-layer perception~(MLP) and a new regression tree are utilized as specific base models for model training and interpretability, respectively. Extensive experiments are conducted on benchmark datasets. {The experimental results provide a positive answer for the question.} Our study opens up a new technical path for the assessing of data values. Large data valuation models can be built across many different data-driven tasks, which can promote the widespread application of data valuation.

Models for natural language and images benefit from data scaling behavior: the more data fed into the model, the better they perform. This 'better with more' phenomenon enables the effectiveness of large-scale pre-training on vast amounts of data. However, current graph pre-training methods struggle to scale up data due to heterogeneity across graphs. To achieve effective data scaling, we aim to develop a general model that is able to capture diverse data patterns of graphs and can be utilized to adaptively help the downstream tasks. To this end, we propose UniAug, a universal graph structure augmentor built on a diffusion model. We first pre-train a discrete diffusion model on thousands of graphs across domains to learn the graph structural patterns. In the downstream phase, we provide adaptive enhancement by conducting graph structure augmentation with the help of the pre-trained diffusion model via guided generation. By leveraging the pre-trained diffusion model for structure augmentation, we consistently achieve performance improvements across various downstream tasks in a plug-and-play manner. To the best of our knowledge, this study represents the first demonstration of a data-scaling graph structure augmentor on graphs across domains.