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Collecting large quantities of high-quality data can be prohibitively expensive or impractical, and a bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more accessible sources, e.g. data collected under different circumstances or synthesized by generative models. We refer to such data as `surrogate data'. We study a weighted empirical risk minimization (ERM) approach for integrating surrogate data into training. We analyze mathematically this method under several classical statistical models, and validate our findings empirically on datasets from different domains. Our main findings are: $(i)$ Integrating surrogate data can significantly reduce the test error on the original distribution. Surprisingly, this can happen even when the surrogate data is unrelated to the original ones. We trace back this behavior to the classical Stein's paradox. $(ii)$ In order to reap the benefit of surrogate data, it is crucial to use optimally weighted ERM. $(iii)$ The test error of models trained on mixtures of real and surrogate data is approximately described by a scaling law. This scaling law can be used to predict the optimal weighting scheme, and to choose the amount of surrogate data to add.

Despite advances in vision-language understanding, implementing image segmentation within multimodal architectures remains a fundamental challenge in modern artificial intelligence systems. Existing vision-language models, which primarily rely on backbone architectures or CLIP-based embedding learning, demonstrate inherent limitations in fine-grained spatial localization and operational capabilities. This paper introduces SJTU: Spatial Judgments in multimodal models - Towards Unified segmentation through coordinate detection, a novel framework that leverages spatial coordinate understanding to bridge vision-language interaction and precise segmentation, enabling accurate target identification through natural language instructions. The framework proposes a novel approach for integrating segmentation techniques with vision-language models based on multimodal spatial inference. By leveraging normalized coordinate detection for bounding boxes and translating it into actionable segmentation outputs, we explore the possibility of integrating multimodal spatial and language representations. Based on the proposed technical approach, the framework demonstrates superior performance on various benchmark datasets as well as accurate object segmentation. Results on the COCO 2017 dataset for general object detection and Pascal VOC datasets for semantic segmentation demonstrate the generalization capabilities of the framework.

Image classification with neural networks (NNs) is widely used in industrial processes, situations where the model likely encounters unknown objects during deployment, i.e., out-of-distribution (OOD) data. Worryingly, NNs tend to make confident yet incorrect predictions when confronted with OOD data. To increase the models' reliability, they should quantify the uncertainty in their own predictions, communicating when the output should (not) be trusted. Deep ensembles, composed of multiple independent NNs, have been shown to perform strongly but are computationally expensive. Recent research has proposed more efficient NN ensembles, namely the snapshot, batch, and multi-input multi-output ensemble. This study investigates the predictive and uncertainty performance of efficient NN ensembles in the context of image classification for industrial processes. It is the first to provide a comprehensive comparison and it proposes a novel Diversity Quality metric to quantify the ensembles' performance on the in-distribution and OOD sets in one single metric. The results highlight the batch ensemble as a cost-effective and competitive alternative to the deep ensemble. It matches the deep ensemble in both uncertainty and accuracy while exhibiting considerable savings in training time, test time, and memory storage.

Advances in high-throughput technologies have originated an ever-increasing availability of omics datasets. The integration of multiple heterogeneous data sources is currently an issue for biology and bioinformatics. Multiple kernel learning (MKL) has shown to be a flexible and valid approach to consider the diverse nature of multi-omics inputs, despite being an underused tool in genomic data mining. We provide novel MKL approaches based on different kernel fusion strategies. To learn from the meta-kernel of input kernels, we adapted unsupervised integration algorithms for supervised tasks with support vector machines. We also tested deep learning architectures for kernel fusion and classification. The results show that MKL-based models can outperform more complex, state-of-the-art, supervised multi-omics integrative approaches. Multiple kernel learning offers a natural framework for predictive models in multi-omics data. It proved to provide a fast and reliable solution that can compete with and outperform more complex architectures. Our results offer a direction for bio-data mining research, biomarker discovery and further development of methods for heterogeneous data integration.

The motivation for sparse learners is to compress the inputs (features) by selecting only the ones needed for good generalization. Linear models with LASSO-type regularization achieve this by setting the weights of irrelevant features to zero, effectively identifying and ignoring them. In artificial neural networks, this selective focus can be achieved by pruning the input layer. Given a cost function enhanced with a sparsity-promoting penalty, our proposal selects a regularization term $\lambda$ (without the use of cross-validation or a validation set) that creates a local minimum in the cost function at the origin where no features are selected. This local minimum acts as a baseline, meaning that if there is no strong enough signal to justify a feature inclusion, the local minimum remains at zero with a high prescribed probability. The method is flexible, applying to complex models ranging from shallow to deep artificial neural networks and supporting various cost functions and sparsity-promoting penalties. We empirically show a remarkable phase transition in the probability of retrieving the relevant features, as well as good generalization thanks to the choice of $\lambda$, the non-convex penalty and the optimization scheme developed. This approach can be seen as a form of compressed sensing for complex models, allowing us to distill high-dimensional data into a compact, interpretable subset of meaningful features.

Liquid composites moulding is an important manufacturing technology for fibre reinforced composites, due to its cost-effectiveness. Challenges lie in the optimisation of the process due to the lack of understanding of key characteristic of textile fabrics - permeability. The problem of computing the permeability coefficient can be modelled as the well-known Stokes-Brinkman equation, which introduces a heterogeneous parameter $\beta$ distinguishing macropore regions and fibre-bundle regions. In the present work, we train a Fourier neural operator to learn the nonlinear map from the heterogeneous coefficient $\beta$ to the velocity field $u$, and recover the corresponding macroscopic permeability $K$. This is a challenging inverse problem since both the input and output fields span several order of magnitudes, we introduce different regularization techniques for the loss function and perform a quantitative comparison between them.

Control structure design is an important but tedious step in P&ID development. Generative artificial intelligence (AI) promises to reduce P&ID development time by supporting engineers. Previous research on generative AI in chemical process design mainly represented processes by sequences. However, graphs offer a promising alternative because of their permutation invariance. We propose the Graph-to-SFILES model, a generative AI method to predict control structures from flowsheet topologies. The Graph-to-SFILES model takes the flowsheet topology as a graph input and returns a control-extended flowsheet as a sequence in the SFILES 2.0 notation. We compare four different graph encoder architectures, one of them being a graph neural network (GNN) proposed in this work. The Graph-to-SFILES model achieves a top-5 accuracy of 73.2% when trained on 10,000 flowsheet topologies. In addition, the proposed GNN performs best among the encoder architectures. Compared to a purely sequence-based approach, the Graph-to-SFILES model improves the top-5 accuracy for a relatively small training dataset of 1,000 flowsheets from 0.9% to 28.4%. However, the sequence-based approach performs better on a large-scale dataset of 100,000 flowsheets. These results highlight the potential of graph-based AI models to accelerate P&ID development in small-data regimes but their effectiveness on industry relevant case studies still needs to be investigated.

AI's significant recent advances using general-purpose circuit computations offer a potential window into how the neocortex and cerebellum of the brain are able to achieve a diverse range of functions across sensory, cognitive, and motor domains, despite their uniform circuit structures. However, comparing the brain and AI is challenging unless clear similarities exist, and past reviews have been limited to comparison of brain-inspired vision AI and the visual neocortex. Here, to enable comparisons across diverse functional domains, we subdivide circuit computation into three elements -- circuit structure, input/outputs, and the learning algorithm -- and evaluate the similarities for each element. With this novel approach, we identify wide-ranging similarities and convergent evolution in the brain and AI, providing new insights into key concepts in neuroscience. Furthermore, inspired by processing mechanisms of AI, we propose a new theory that integrates established neuroscience theories, particularly the theories of internal models and the mirror neuron system. Both the neocortex and cerebellum predict future world events from past information and learn from prediction errors, thereby acquiring models of the world. These models enable three core processes: (1) Prediction -- generating future information, (2) Understanding -- interpreting the external world via compressed and abstracted sensory information, and (3) Generation -- repurposing the future-information generation mechanism to produce other types of outputs. The universal application of these processes underlies the ability of the neocortex and cerebellum to accomplish diverse functions with uniform circuits. Our systematic approach, insights, and theory promise groundbreaking advances in understanding the brain.

This paper deals with a time-split explicit/implicit approach for solving a two-dimensional hydrodynamic flow model with appropriate initial and boundary conditions. The time-split technique is employed to upwind the convection term and to treat the friction slope so that the numerical oscillations and stability are well controlled. A suitable time step restriction for stability and convergence accurate of the new algorithm is established using the $L^{\infty}(0,T; L^{2})$-norm. Under a time step requirement, some numerical examples confirm the theoretical studies and suggest that the proposed computational technique is spatial fourth-order accurate and temporal second-order convergent. An application to floods observed in Cameroon far north region is considered and discussed.

Modern large language model (LLM) alignment techniques rely on human feedback, but it is unclear whether these techniques fundamentally limit the capabilities of aligned LLMs. In particular, it is unknown if it is possible to align (stronger) LLMs with superhuman capabilities with (weaker) human feedback without degrading their capabilities. This is an instance of the weak-to-strong generalization problem: using feedback from a weaker (less capable) model to train a stronger (more capable) model. We prove that weak-to-strong generalization is possible by eliciting latent knowledge from pre-trained LLMs. In particular, we cast the weak-to-strong generalization problem as a transfer learning problem in which we wish to transfer a latent concept prior from a weak model to a strong pre-trained model. We prove that a naive fine-tuning approach suffers from fundamental limitations, but an alternative refinement-based approach suggested by the problem structure provably overcomes the limitations of fine-tuning. Finally, we demonstrate the practical applicability of the refinement approach in multiple LLM alignment tasks.