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In this work, we propose a Self-Supervised training strategy specifically designed for combinatorial problems. One of the main obstacles in applying supervised paradigms to such problems is the requirement of expensive target solutions as ground-truth, often produced with costly exact solvers. Inspired by Semi- and Self-Supervised learning, we show that it is possible to easily train generative models by sampling multiple solutions and using the best one according to the problem objective as a pseudo-label. In this way, we iteratively improve the model generation capability by relying only on its self-supervision, completely removing the need for optimality information. We prove the effectiveness of this Self-Labeling strategy on the Job Shop Scheduling (JSP), a complex combinatorial problem that is receiving much attention from the Reinforcement Learning community. We propose a generative model based on the well-known Pointer Network and train it with our strategy. Experiments on two popular benchmarks demonstrate the potential of this approach as the resulting models outperform constructive heuristics and current state-of-the-art Reinforcement Learning proposals.

Explainable artificial intelligence techniques are becoming increasingly important with the rise of deep learning applications in various domains. These techniques aim to provide a better understanding of complex "black box" models and enhance user trust while maintaining high learning performance. While many studies have focused on explaining deep learning models in computer vision for image input, video explanations remain relatively unexplored due to the temporal dimension's complexity. In this paper, we present a unified framework for local agnostic explanations in the video domain. Our contributions include: (1) Extending a fine-grained explanation framework tailored for computer vision data, (2) Adapting six existing explanation techniques to work on video data by incorporating temporal information and enabling local explanations, and (3) Conducting an evaluation and comparison of the adapted explanation methods using different models and datasets. We discuss the possibilities and choices involved in the removal-based explanation process for visual data. The adaptation of six explanation methods for video is explained, with comparisons to existing approaches. We evaluate the performance of the methods using automated metrics and user-based evaluation, showing that 3D RISE, 3D LIME, and 3D Kernel SHAP outperform other methods. By decomposing the explanation process into manageable steps, we facilitate the study of each choice's impact and allow for further refinement of explanation methods to suit specific datasets and models.

Medical imaging analysis has witnessed remarkable advancements even surpassing human-level performance in recent years, driven by the rapid development of advanced deep-learning algorithms. However, when the inference dataset slightly differs from what the model has seen during one-time training, the model performance is greatly compromised. The situation requires restarting the training process using both the old and the new data which is computationally costly, does not align with the human learning process, and imposes storage constraints and privacy concerns. Alternatively, continual learning has emerged as a crucial approach for developing unified and sustainable deep models to deal with new classes, tasks, and the drifting nature of data in non-stationary environments for various application areas. Continual learning techniques enable models to adapt and accumulate knowledge over time, which is essential for maintaining performance on evolving datasets and novel tasks. This systematic review paper provides a comprehensive overview of the state-of-the-art in continual learning techniques applied to medical imaging analysis. We present an extensive survey of existing research, covering topics including catastrophic forgetting, data drifts, stability, and plasticity requirements. Further, an in-depth discussion of key components of a continual learning framework such as continual learning scenarios, techniques, evaluation schemes, and metrics is provided. Continual learning techniques encompass various categories, including rehearsal, regularization, architectural, and hybrid strategies. We assess the popularity and applicability of continual learning categories in various medical sub-fields like radiology and histopathology...

This document offers a critical overview of the emerging trends and significant advancements in artificial intelligence (AI) within the pharmaceutical industry. Detailing its application across key operational areas, including research and development, animal testing, clinical trials, hospital clinical stages, production, regulatory affairs, quality control and other supporting areas, the paper categorically examines AI's role in each sector. Special emphasis is placed on cutting-edge AI technologies like machine learning algorithms and their contributions to various aspects of pharmaceutical operations. Through this comprehensive analysis, the paper highlights the transformative potential of AI in reshaping the pharmaceutical industry's future.

Can we build a single large model for a wide range of PDE-related scientific learning tasks? Can this model generalize to new PDEs, even of new forms, without any fine-tuning? In-context operator learning and the corresponding model In-Context Operator Networks (ICON) represent an initial exploration of these questions. The capability of ICON regarding the first question has been demonstrated previously. In this paper, we present a detailed methodology for solving PDE problems with ICON, and show how a single ICON model can make forward and reverse predictions for different equations with different strides, provided with appropriately designed data prompts. We show the positive evidence to the second question, i.e., ICON can generalize well to some PDEs with new forms without any fine-tuning. This is exemplified through a study on 1D scalar nonlinear conservation laws, a family of PDEs with temporal evolution. We also show how to broaden the range of problems that an ICON model can address, by transforming functions and equations to ICON's capability scope. We believe that the progress in this paper is a significant step towards the goal of training a foundation model for PDE-related tasks under the in-context operator learning framework.

This work presents Depth Anything, a highly practical solution for robust monocular depth estimation. Without pursuing novel technical modules, we aim to build a simple yet powerful foundation model dealing with any images under any circumstances. To this end, we scale up the dataset by designing a data engine to collect and automatically annotate large-scale unlabeled data (~62M), which significantly enlarges the data coverage and thus is able to reduce the generalization error. We investigate two simple yet effective strategies that make data scaling-up promising. First, a more challenging optimization target is created by leveraging data augmentation tools. It compels the model to actively seek extra visual knowledge and acquire robust representations. Second, an auxiliary supervision is developed to enforce the model to inherit rich semantic priors from pre-trained encoders. We evaluate its zero-shot capabilities extensively, including six public datasets and randomly captured photos. It demonstrates impressive generalization ability. Further, through fine-tuning it with metric depth information from NYUv2 and KITTI, new SOTAs are set. Our better depth model also results in a better depth-conditioned ControlNet. Our models are released at //github.com/LiheYoung/Depth-Anything.

Existing works show that augmenting training data of neural networks using both clean and adversarial examples can enhance their generalizability under adversarial attacks. However, this training approach often leads to performance degradation on clean inputs. Additionally, it requires frequent re-training of the entire model to account for new attack types, resulting in significant and costly computations. Such limitations make adversarial training mechanisms less practical, particularly for complex Pre-trained Language Models (PLMs) with millions or even billions of parameters. To overcome these challenges while still harnessing the theoretical benefits of adversarial training, this study combines two concepts: (1) adapters, which enable parameter-efficient fine-tuning, and (2) Mixup, which train NNs via convex combinations of pairs data pairs. Intuitively, we propose to fine-tune PLMs through convex combinations of non-data pairs of fine-tuned adapters, one trained with clean and another trained with adversarial examples. Our experiments show that the proposed method achieves the best trade-off between training efficiency and predictive performance, both with and without attacks compared to other baselines on a variety of downstream tasks.

In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.

Small data challenges have emerged in many learning problems, since the success of deep neural networks often relies on the availability of a huge amount of labeled data that is expensive to collect. To address it, many efforts have been made on training complex models with small data in an unsupervised and semi-supervised fashion. In this paper, we will review the recent progresses on these two major categories of methods. A wide spectrum of small data models will be categorized in a big picture, where we will show how they interplay with each other to motivate explorations of new ideas. We will review the criteria of learning the transformation equivariant, disentangled, self-supervised and semi-supervised representations, which underpin the foundations of recent developments. Many instantiations of unsupervised and semi-supervised generative models have been developed on the basis of these criteria, greatly expanding the territory of existing autoencoders, generative adversarial nets (GANs) and other deep networks by exploring the distribution of unlabeled data for more powerful representations. While we focus on the unsupervised and semi-supervised methods, we will also provide a broader review of other emerging topics, from unsupervised and semi-supervised domain adaptation to the fundamental roles of transformation equivariance and invariance in training a wide spectrum of deep networks. It is impossible for us to write an exclusive encyclopedia to include all related works. Instead, we aim at exploring the main ideas, principles and methods in this area to reveal where we are heading on the journey towards addressing the small data challenges in this big data era.

Machine learning techniques have deeply rooted in our everyday life. However, since it is knowledge- and labor-intensive to pursue good learning performance, human experts are heavily involved in every aspect of machine learning. In order to make machine learning techniques easier to apply and reduce the demand for experienced human experts, automated machine learning (AutoML) has emerged as a hot topic with both industrial and academic interest. In this paper, we provide an up to date survey on AutoML. First, we introduce and define the AutoML problem, with inspiration from both realms of automation and machine learning. Then, we propose a general AutoML framework that not only covers most existing approaches to date but also can guide the design for new methods. Subsequently, we categorize and review the existing works from two aspects, i.e., the problem setup and the employed techniques. Finally, we provide a detailed analysis of AutoML approaches and explain the reasons underneath their successful applications. We hope this survey can serve as not only an insightful guideline for AutoML beginners but also an inspiration for future research.