In \cite{simon2023algorithms} we introduced four algorithms for the training of neural support vector machines (NSVMs) and demonstrated their feasibility. In this note we introduce neural quantum support vector machines, that is, NSVMs with a quantum kernel, and extend our results to this setting.

Pre-training has achieved remarkable success when transferred to downstream tasks. In machine learning, we care about not only the good performance of a model but also its behavior under reasonable shifts of condition. The same philosophy holds when pre-training a foundation model. However, the foundation model may not uniformly behave well for a series of related downstream tasks. This happens, for example, when conducting mask recovery regression where the recovery ability or the training instances diverge like pattern features are extracted dominantly on pre-training, but semantic features are also required on a downstream task. This paper considers pre-training a model that guarantees a uniformly good performance over the downstream tasks. We call this goal as $\textit{downstream-task robustness}$. Our method first separates the upstream task into several representative ones and applies a simple minimax loss for pre-training. We then design an efficient algorithm to solve the minimax loss and prove its convergence in the convex setting. In the experiments, we show both on large-scale natural language processing and computer vision datasets our method increases the metrics on worse-case downstream tasks. Additionally, some theoretical explanations for why our loss is beneficial are provided. Specifically, we show fewer samples are inherently required for the most challenging downstream task in some cases.

While it is established that neural networks suffer from catastrophic forgetting ``at the output level'', it is debated whether this is also the case at the level of representations. Some studies ascribe a certain level of innate robustness to representations, that they only forget minimally and no critical information, while others claim that representations are also severely affected by forgetting. To settle this debate, we first discuss how this apparent disagreement might stem from the coexistence of two phenomena that affect the quality of continually learned representations: knowledge accumulation and feature forgetting. We then show that, even though it is true that feature forgetting can be small in absolute terms, newly learned information is forgotten just as catastrophically at the level of representations as it is at the output level. Next we show that this feature forgetting is problematic as it substantially slows down knowledge accumulation. We further show that representations that are continually learned through both supervised and self-supervised learning suffer from feature forgetting. Finally, we study how feature forgetting and knowledge accumulation are affected by different types of continual learning methods.

Appendicitis is among the most frequent reasons for pediatric abdominal surgeries. Previous decision support systems for appendicitis have focused on clinical, laboratory, scoring, and computed tomography data and have ignored abdominal ultrasound, despite its noninvasive nature and widespread availability. In this work, we present interpretable machine learning models for predicting the diagnosis, management and severity of suspected appendicitis using ultrasound images. Our approach utilizes concept bottleneck models (CBM) that facilitate interpretation and interaction with high-level concepts understandable to clinicians. Furthermore, we extend CBMs to prediction problems with multiple views and incomplete concept sets. Our models were trained on a dataset comprising 579 pediatric patients with 1709 ultrasound images accompanied by clinical and laboratory data. Results show that our proposed method enables clinicians to utilize a human-understandable and intervenable predictive model without compromising performance or requiring time-consuming image annotation when deployed. For predicting the diagnosis, the extended multiview CBM attained an AUROC of 0.80 and an AUPR of 0.92, performing comparably to similar black-box neural networks trained and tested on the same dataset.

The dynamic Schr\"odinger bridge problem provides an appealing setting for solving constrained time-series data generation tasks posed as optimal transport problems. It consists of learning non-linear diffusion processes using efficient iterative solvers. Recent works have demonstrated state-of-the-art results (eg. in modelling single-cell embryo RNA sequences or sampling from complex posteriors) but are limited to learning bridges with only initial and terminal constraints. Our work extends this paradigm by proposing the Iterative Smoothing Bridge (ISB). We integrate Bayesian filtering and optimal control into learning the diffusion process, enabling the generation of constrained stochastic processes governed by sparse observations at intermediate stages and terminal constraints. We assess the effectiveness of our method on synthetic and real-world data generation tasks and we show that the ISB generalises well to high-dimensional data, is computationally efficient, and provides accurate estimates of the marginals at intermediate and terminal times.

This paper provides a comprehensive review of past and current advances in the early detection of bark beetle-induced tree mortality from three primary perspectives: bark beetle & host interactions, RS, and ML/DL. In contrast to prior efforts, this review encompasses all RS systems and emphasizes ML/DL methods to investigate their strengths and weaknesses. We parse existing literature based on multi- or hyper-spectral analyses and distill their knowledge based on: bark beetle species & attack phases with a primary emphasis on early stages of attacks, host trees, study regions, RS platforms & sensors, spectral/spatial/temporal resolutions, spectral signatures, spectral vegetation indices (SVIs), ML approaches, learning schemes, task categories, models, algorithms, classes/clusters, features, and DL networks & architectures. Although DL-based methods and the random forest (RF) algorithm showed promising results, highlighting their potential to detect subtle changes across visible, thermal, and short-wave infrared (SWIR) spectral regions, they still have limited effectiveness and high uncertainties. To inspire novel solutions to these shortcomings, we delve into the principal challenges & opportunities from different perspectives, enabling a deeper understanding of the current state of research and guiding future research directions.

Transformers have shown great power in time series forecasting due to their global-range modeling ability. However, their performance can degenerate terribly on non-stationary real-world data in which the joint distribution changes over time. Previous studies primarily adopt stationarization to attenuate the non-stationarity of original series for better predictability. But the stationarized series deprived of inherent non-stationarity can be less instructive for real-world bursty events forecasting. This problem, termed over-stationarization in this paper, leads Transformers to generate indistinguishable temporal attentions for different series and impedes the predictive capability of deep models. To tackle the dilemma between series predictability and model capability, we propose Non-stationary Transformers as a generic framework with two interdependent modules: Series Stationarization and De-stationary Attention. Concretely, Series Stationarization unifies the statistics of each input and converts the output with restored statistics for better predictability. To address the over-stationarization problem, De-stationary Attention is devised to recover the intrinsic non-stationary information into temporal dependencies by approximating distinguishable attentions learned from raw series. Our Non-stationary Transformers framework consistently boosts mainstream Transformers by a large margin, which reduces MSE by 49.43% on Transformer, 47.34% on Informer, and 46.89% on Reformer, making them the state-of-the-art in time series forecasting. Code is available at this repository: https://github.com/thuml/Nonstationary_Transformers.

In the last ten years, various automated machine learning (AutoM ) systems have been proposed to build end-to-end machine learning (ML) pipelines with minimal human interaction. Even though such automatically synthesized ML pipelines are able to achieve a competitive performance, recent studies have shown that users do not trust models constructed by AutoML due to missing transparency of AutoML systems and missing explanations for the constructed ML pipelines. In a requirements analysis study with 36 domain experts, data scientists, and AutoML researchers from different professions with vastly different expertise in ML, we collect detailed informational needs for AutoML. We propose XAutoML, an interactive visual analytics tool for explaining arbitrary AutoML optimization procedures and ML pipelines constructed by AutoML. XAutoML combines interactive visualizations with established techniques from explainable artificial intelligence (XAI) to make the complete AutoML procedure transparent and explainable. By integrating XAutoML with JupyterLab, experienced users can extend the visual analytics with ad-hoc visualizations based on information extracted from XAutoML. We validate our approach in a user study with the same diverse user group from the requirements analysis. All participants were able to extract useful information from XAutoML, leading to a significantly increased understanding of ML pipelines produced by AutoML and the AutoML optimization itself.

A system of coupled oscillators on an arbitrary graph is locally driven by the tendency to mutual synchronization between nearby oscillators, but can and often exhibit nonlinear behavior on the whole graph. Understanding such nonlinear behavior has been a key challenge in predicting whether all oscillators in such a system will eventually synchronize. In this paper, we demonstrate that, surprisingly, such nonlinear behavior of coupled oscillators can be effectively linearized in certain latent dynamic spaces. The key insight is that there is a small number of `latent dynamics filters', each with a specific association with synchronizing and non-synchronizing dynamics on subgraphs so that any observed dynamics on subgraphs can be approximated by a suitable linear combination of such elementary dynamic patterns. Taking an ensemble of subgraph-level predictions provides an interpretable predictor for whether the system on the whole graph reaches global synchronization. We propose algorithms based on supervised matrix factorization to learn such latent dynamics filters. We demonstrate that our method performs competitively in synchronization prediction tasks against baselines and black-box classification algorithms, despite its simple and interpretable architecture.

Recent results show that estimates defined by over-parametrized deep neural networks learned by applying gradient descent to a regularized empirical $L_2$ risk are universally consistent and achieve good rates of convergence. In this paper, we show that the regularization term is not necessary to obtain similar results. In the case of a suitably chosen initialization of the network, a suitable number of gradient descent steps, and a suitable step size we show that an estimate without a regularization term is universally consistent for bounded predictor variables. Additionally, we show that if the regression function is H\"older smooth with H\"older exponent $1/2 \leq p \leq 1$, the $L_2$ error converges to zero with a convergence rate of approximately $n^{-1/(1+d)}$. Furthermore, in case of an interaction model, where the regression function consists of a sum of H\"older smooth functions with $d^*$ components, a rate of convergence is derived which does not depend on the input dimension $d$.