深度神经网络的成功严重依赖于他们在其投入和其产出之间编码复杂关系的能力。虽然此属性适用于培训数据，但它也掩盖了驱动预测的机制。本研究旨在通过采用基于离散变分的自动化器来改变预测类的干预机制来揭示隐藏的概念。然后，解释模型从任何隐藏层和相应的介入表示可视化编码信息。通过评估原始代表与介入代表之间的差异，可以确定可以改变该类的概念，从而提供可解释性。我们展示了我们在Celeba上的方法的有效性，在那里我们对数据中的偏见显示了各种可视化，并建议揭示和改变偏见的不同干预措施。

为了在结构因果模型（SCM）中执行反事实推理，需要了解因果机制，它提供条件分布的因子，并将噪声映射到样本的确定性函数。遗憾的是，因象无法通过观察和与世界互动收集的数据唯一确定的因果机制，因此仍然存在如何选择因果机制的问题。最近的工作中，Oberst＆Sontag（2019）提出了Gumbel-Max SCM，它由于直观上吸引的反事实稳定性而导致Gumbel-Max Reparameterizations作为因果机制。在这项工作中，我们认为选择在估算反事实治疗效果时最小化的定量标准的因果机制，例如最小化方差。我们提出了一个参数化的因果机制，概括了Gumbel-Max。我们表明他们可以接受培训，以最大限度地减少对感兴趣查询的分布的反事实效果方差和其他损失，从而产生比固定替代方案的反复治疗效果的较低方差估计，也推广到在培训时间未见的查询。

Late-life depression (LLD) is a highly prevalent mood disorder occurring in older adults and is frequently accompanied by cognitive impairment (CI). Studies have shown that LLD may increase the risk of Alzheimer's disease (AD). However, the heterogeneity of presentation of geriatric depression suggests that multiple biological mechanisms may underlie it. Current biological research on LLD progression incorporates machine learning that combines neuroimaging data with clinical observations. There are few studies on incident cognitive diagnostic outcomes in LLD based on structural MRI (sMRI). In this paper, we describe the development of a hybrid representation learning (HRL) framework for predicting cognitive diagnosis over 5 years based on T1-weighted sMRI data. Specifically, we first extract prediction-oriented MRI features via a deep neural network, and then integrate them with handcrafted MRI features via a Transformer encoder for cognitive diagnosis prediction. Two tasks are investigated in this work, including (1) identifying cognitively normal subjects with LLD and never-depressed older healthy subjects, and (2) identifying LLD subjects who developed CI (or even AD) and those who stayed cognitively normal over five years. To the best of our knowledge, this is among the first attempts to study the complex heterogeneous progression of LLD based on task-oriented and handcrafted MRI features. We validate the proposed HRL on 294 subjects with T1-weighted MRIs from two clinically harmonized studies. Experimental results suggest that the HRL outperforms several classical machine learning and state-of-the-art deep learning methods in LLD identification and prediction tasks.

Training of neural networks is a computationally intensive task. The significance of understanding and modeling the training dynamics is growing as increasingly larger networks are being trained. We propose in this work a model based on the correlation of the parameters' dynamics, which dramatically reduces the dimensionality. We refer to our algorithm as \emph{correlation mode decomposition} (CMD). It splits the parameter space into groups of parameters (modes) which behave in a highly correlated manner through the epochs. We achieve a remarkable dimensionality reduction with this approach, where networks like ResNet-18, transformers and GANs, containing millions of parameters, can be modeled well using just a few modes. We observe each typical time profile of a mode is spread throughout the network in all layers. Moreover, our model induces regularization which yields better generalization capacity on the test set. This representation enhances the understanding of the underlying training dynamics and can pave the way for designing better acceleration techniques.

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

In the last years, there has been a great interest in machine-learning-based heuristics for solving NP-hard combinatorial optimization problems. The developed methods have shown potential on many optimization problems. In this paper, we present a learned heuristic for the reoptimization of a problem after a minor change in its data. We focus on the case of the capacited vehicle routing problem with static clients (i.e., same client locations) and changed demands. Given the edges of an original solution, the goal is to predict and fix the ones that have a high chance of remaining in an optimal solution after a change of client demands. This partial prediction of the solution reduces the complexity of the problem and speeds up its resolution, while yielding a good quality solution. The proposed approach resulted in solutions with an optimality gap ranging from 0\% to 1.7\% on different benchmark instances within a reasonable computing time.

In this short paper, we present our ongoing work on the veriFIRE project -- a collaboration between industry and academia, aimed at using verification for increasing the reliability of a real-world, safety-critical system. The system we target is an airborne platform for wildfire detection, which incorporates two deep neural networks. We describe the system and its properties of interest, and discuss our attempts to verify the system's consistency, i.e., its ability to continue and correctly classify a given input, even if the wildfire it describes increases in intensity. We regard this work as a step towards the incorporation of academic-oriented verification tools into real-world systems of interest.

With the increased use of machine learning systems for decision making, questions about the fairness properties of such systems start to take center stage. Most existing work on algorithmic fairness assume complete observation of features at prediction time, as is the case for popular notions like statistical parity and equal opportunity. However, this is not sufficient for models that can make predictions with partial observation as we could miss patterns of bias and incorrectly certify a model to be fair. To address this, a recently introduced notion of fairness asks whether the model exhibits any discrimination pattern, in which an individual characterized by (partial) feature observations, receives vastly different decisions merely by disclosing one or more sensitive attributes such as gender and race. By explicitly accounting for partial observations, this provides a much more fine-grained notion of fairness. In this paper, we propose an algorithm to search for discrimination patterns in a general class of probabilistic models, namely probabilistic circuits. Previously, such algorithms were limited to naive Bayes classifiers which make strong independence assumptions; by contrast, probabilistic circuits provide a unifying framework for a wide range of tractable probabilistic models and can even be compiled from certain classes of Bayesian networks and probabilistic programs, making our method much more broadly applicable. Furthermore, for an unfair model, it may be useful to quickly find discrimination patterns and distill them for better interpretability. As such, we also propose a sampling-based approach to more efficiently mine discrimination patterns, and introduce new classes of patterns such as minimal, maximal, and Pareto optimal patterns that can effectively summarize exponentially many discrimination patterns

Out-of-distribution (OOD) detection has attracted a large amount of attention from the machine learning research community in recent years due to its importance in deployed systems. Most of the previous studies focused on the detection of OOD samples in the multi-class classification task. However, OOD detection in the multi-label classification task remains an underexplored domain. In this research, we propose YolOOD - a method that utilizes concepts from the object detection domain to perform OOD detection in the multi-label classification task. Object detection models have an inherent ability to distinguish between objects of interest (in-distribution) and irrelevant objects (e.g., OOD objects) on images that contain multiple objects from different categories. These abilities allow us to convert a regular object detection model into an image classifier with inherent OOD detection capabilities with just minor changes. We compare our approach to state-of-the-art OOD detection methods and demonstrate YolOOD's ability to outperform these methods on a comprehensive suite of in-distribution and OOD benchmark datasets.

Graph is a highly generic and diverse representation, suitable for almost any data processing problem. Spectral graph theory has been shown to provide powerful algorithms, backed by solid linear algebra theory. It thus can be extremely instrumental to design deep network building blocks with spectral graph characteristics. For instance, such a network allows the design of optimal graphs for certain tasks or obtaining a canonical orthogonal low-dimensional embedding of the data. Recent attempts to solve this problem were based on minimizing Rayleigh-quotient type losses. We propose a different approach of directly learning the eigensapce. A severe problem of the direct approach, applied in batch-learning, is the inconsistent mapping of features to eigenspace coordinates in different batches. We analyze the degrees of freedom of learning this task using batches and propose a stable alignment mechanism that can work both with batch changes and with graph-metric changes. We show that our learnt spectral embedding is better in terms of NMI, ACC, Grassman distance, orthogonality and classification accuracy, compared to SOTA. In addition, the learning is more stable.