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As machine learning technology gets applied to actual products and solutions, new challenges have emerged. Models unexpectedly fail to generalize to small changes in the distribution, tend to be confident on novel data they have never seen, or cannot communicate the rationale behind their decisions effectively with the end users. Collectively, we face a trustworthiness issue with the current machine learning technology. This textbook on Trustworthy Machine Learning (TML) covers a theoretical and technical background of four key topics in TML: Out-of-Distribution Generalization, Explainability, Uncertainty Quantification, and Evaluation of Trustworthiness. We discuss important classical and contemporary research papers of the aforementioned fields and uncover and connect their underlying intuitions. The book evolved from the homonymous course at the University of T\"ubingen, first offered in the Winter Semester of 2022/23. It is meant to be a stand-alone product accompanied by code snippets and various pointers to further sources on topics of TML. The dedicated website of the book is //trustworthyml.io/.

Graph partitioning is a common solution to scale up the graph algorithms, and shortest path (SP) computation is one of them. However, the existing solutions typically have a fixed partition method with a fixed path index and fixed partition structure, so it is unclear how the partition method and path index influence the pathfinding performance. Moreover, few studies have explored the index maintenance of partitioned SP (PSP) on dynamic graphs. To provide a deeper insight into the dynamic PSP indexes, we systematically deliberate on the existing works and propose a universal scheme to analyze this problem theoretically. Specifically, we first propose two novel partitioned index strategies and one optimization to improve index construction, query answering, or index maintenance of PSP index. Then we propose a path-oriented graph partitioning classification criteria for easier partition method selection. After that, we re-couple the dimensions in our scheme (partitioned index strategy, path index, and partition structure) to propose five new partitioned SP indexes that are more efficient either in the query or update on different networks. Finally, we demonstrate the effectiveness of our new indexes by comparing them with state-of-the-art PSP indexes through comprehensive evaluations.

Hyperdimensional computing (HDC) is a method to perform classification that uses binary vectors with high dimensions and the majority rule. This approach has the potential to be energy-efficient and hence deemed suitable for resource-limited platforms due to its simplicity and massive parallelism. However, in order to achieve high accuracy, HDC sometimes uses hypervectors with tens of thousands of dimensions. This potentially negates its efficiency advantage. In this paper, we examine the necessity of such high dimensions and conduct a detailed theoretical analysis of the relationship between hypervector dimensions and accuracy. Our results demonstrate that as the dimension of the hypervectors increases, the worst-case/average-case HDC prediction accuracy with the majority rule decreases. Building on this insight, we develop HDC models that use binary hypervectors with dimensions orders of magnitude lower than those of state-of-the-art HDC models while maintaining equivalent or even improved accuracy and efficiency. For instance, on the MNIST dataset, we achieve 91.12% HDC accuracy in image classification with a dimension of only 64. Our methods perform operations that are only 0.35% of other HDC models with dimensions of 10,000. Furthermore, we evaluate our methods on ISOLET, UCI-HAR, and Fashion-MNIST datasets and investigate the limits of HDC computing.

In continual learning, the learner learns multiple tasks in sequence, with data being acquired only once for each task. Catastrophic forgetting is a major challenge to continual learning. To reduce forgetting, some existing rehearsal-based methods use episodic memory to replay samples of previous tasks. However, in the process of knowledge integration when learning a new task, this strategy also suffers from catastrophic forgetting due to an imbalance between old and new knowledge. To address this problem, we propose a novel replay strategy called Manifold Expansion Replay (MaER). We argue that expanding the implicit manifold of the knowledge representation in the episodic memory helps to improve the robustness and expressiveness of the model. To this end, we propose a greedy strategy to keep increasing the diameter of the implicit manifold represented by the knowledge in the buffer during memory management. In addition, we introduce Wasserstein distance instead of cross entropy as distillation loss to preserve previous knowledge. With extensive experimental validation on MNIST, CIFAR10, CIFAR100, and TinyImageNet, we show that the proposed method significantly improves the accuracy in continual learning setup, outperforming the state of the arts.

Speculative decoding is a pivotal technique to accelerate the inference of large language models (LLMs) by employing a smaller draft model to predict the target model's outputs. However, its efficacy can be limited due to the low predictive accuracy of the draft model, particularly when faced with diverse text inputs and a significant capability gap between the draft and target models. We introduce online speculative decoding (OSD) to address this challenge. The main idea is to continually update (multiple) draft model(s) on observed user query data using the abundant excess computational power in an LLM serving cluster. Given that LLM inference is memory-bounded, the surplus computational power in a typical LLM serving cluster can be repurposed for online retraining of draft models, thereby making the training cost-neutral. Since the query distribution of an LLM service is relatively simple, retraining on query distribution enables the draft model to more accurately predict the target model's outputs, particularly on data originating from query distributions. As the draft model evolves online, it aligns with the query distribution in real time, mitigating distribution shifts. We develop a prototype of online speculative decoding based on online knowledge distillation and evaluate it using both synthetic and real query data on several popular LLMs. The results show a substantial increase in the token acceptance rate by 0.1 to 0.65, which translates into 1.22x to 3.06x latency reduction.

Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in capturing the hierarchical graph representation which plays an important role in graph classification. In this paper, we innovatively propose hierarchical graph capsule network (HGCN) that can jointly learn node embeddings and extract graph hierarchies. Specifically, disentangled graph capsules are established by identifying heterogeneous factors underlying each node, such that their instantiation parameters represent different properties of the same entity. To learn the hierarchical representation, HGCN characterizes the part-whole relationship between lower-level capsules (part) and higher-level capsules (whole) by explicitly considering the structure information among the parts. Experimental studies demonstrate the effectiveness of HGCN and the contribution of each component.

Adversarial attack is a technique for deceiving Machine Learning (ML) models, which provides a way to evaluate the adversarial robustness. In practice, attack algorithms are artificially selected and tuned by human experts to break a ML system. However, manual selection of attackers tends to be sub-optimal, leading to a mistakenly assessment of model security. In this paper, a new procedure called Composite Adversarial Attack (CAA) is proposed for automatically searching the best combination of attack algorithms and their hyper-parameters from a candidate pool of \textbf{32 base attackers}. We design a search space where attack policy is represented as an attacking sequence, i.e., the output of the previous attacker is used as the initialization input for successors. Multi-objective NSGA-II genetic algorithm is adopted for finding the strongest attack policy with minimum complexity. The experimental result shows CAA beats 10 top attackers on 11 diverse defenses with less elapsed time (\textbf{6 $\times$ faster than AutoAttack}), and achieves the new state-of-the-art on $l_{\infty}$, $l_{2}$ and unrestricted adversarial attacks.

As a field of AI, Machine Reasoning (MR) uses largely symbolic means to formalize and emulate abstract reasoning. Studies in early MR have notably started inquiries into Explainable AI (XAI) -- arguably one of the biggest concerns today for the AI community. Work on explainable MR as well as on MR approaches to explainability in other areas of AI has continued ever since. It is especially potent in modern MR branches, such as argumentation, constraint and logic programming, planning. We hereby aim to provide a selective overview of MR explainability techniques and studies in hopes that insights from this long track of research will complement well the current XAI landscape. This document reports our work in-progress on MR explainability.

Embedding models for deterministic Knowledge Graphs (KG) have been extensively studied, with the purpose of capturing latent semantic relations between entities and incorporating the structured knowledge into machine learning. However, there are many KGs that model uncertain knowledge, which typically model the inherent uncertainty of relations facts with a confidence score, and embedding such uncertain knowledge represents an unresolved challenge. The capturing of uncertain knowledge will benefit many knowledge-driven applications such as question answering and semantic search by providing more natural characterization of the knowledge. In this paper, we propose a novel uncertain KG embedding model UKGE, which aims to preserve both structural and uncertainty information of relation facts in the embedding space. Unlike previous models that characterize relation facts with binary classification techniques, UKGE learns embeddings according to the confidence scores of uncertain relation facts. To further enhance the precision of UKGE, we also introduce probabilistic soft logic to infer confidence scores for unseen relation facts during training. We propose and evaluate two variants of UKGE based on different learning objectives. Experiments are conducted on three real-world uncertain KGs via three tasks, i.e. confidence prediction, relation fact ranking, and relation fact classification. UKGE shows effectiveness in capturing uncertain knowledge by achieving promising results on these tasks, and consistently outperforms baselines on these tasks.

We introduce an effective model to overcome the problem of mode collapse when training Generative Adversarial Networks (GAN). Firstly, we propose a new generator objective that finds it better to tackle mode collapse. And, we apply an independent Autoencoders (AE) to constrain the generator and consider its reconstructed samples as "real" samples to slow down the convergence of discriminator that enables to reduce the gradient vanishing problem and stabilize the model. Secondly, from mappings between latent and data spaces provided by AE, we further regularize AE by the relative distance between the latent and data samples to explicitly prevent the generator falling into mode collapse setting. This idea comes when we find a new way to visualize the mode collapse on MNIST dataset. To the best of our knowledge, our method is the first to propose and apply successfully the relative distance of latent and data samples for stabilizing GAN. Thirdly, our proposed model, namely Generative Adversarial Autoencoder Networks (GAAN), is stable and has suffered from neither gradient vanishing nor mode collapse issues, as empirically demonstrated on synthetic, MNIST, MNIST-1K, CelebA and CIFAR-10 datasets. Experimental results show that our method can approximate well multi-modal distribution and achieve better results than state-of-the-art methods on these benchmark datasets. Our model implementation is published here: //github.com/tntrung/gaan