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In the recent years, machine learning has made great advancements that have been at the root of many breakthroughs in different application domains. However, it is still an open issue how make them applicable to high-stakes or safety-critical application domains, as they can often be brittle and unreliable. In this paper, we argue that requirements definition and satisfaction can go a long way to make machine learning models even more fitting to the real world, especially in critical domains. To this end, we present two problems in which (i) requirements arise naturally, (ii) machine learning models are or can be fruitfully deployed, and (iii) neglecting the requirements can have dramatic consequences. We show how the requirements specification can be fruitfully integrated into the standard machine learning development pipeline, proposing a novel pyramid development process in which requirements definition may impact all the subsequent phases in the pipeline, and viceversa.

Based on SGD, previous works have proposed many algorithms that have improved convergence speed and generalization in stochastic optimization, such as SGDm, AdaGrad, Adam, etc. However, their convergence analysis under non-convex conditions is challenging. In this work, we propose a unified framework to address this issue. For any first-order methods, we interpret the updated direction $g_t$ as the sum of the stochastic subgradient $\nabla f_t(x_t)$ and an additional acceleration term $\frac{2|\langle v_t, \nabla f_t(x_t) \rangle|}{\|v_t\|_2^2} v_t$, thus we can discuss the convergence by analyzing $\langle v_t, \nabla f_t(x_t) \rangle$. Through our framework, we have discovered two plug-and-play acceleration methods: \textbf{Reject Accelerating} and \textbf{Random Vector Accelerating}, we theoretically demonstrate that these two methods can directly lead to an improvement in convergence rate.

This paper introduces a novel perspective to significantly mitigate catastrophic forgetting in continuous learning (CL), which emphasizes models' capacity to preserve existing knowledge and assimilate new information. Current replay-based methods treat every task and data sample equally and thus can not fully exploit the potential of the replay buffer. In response, we propose COgnitive REplay (CORE), which draws inspiration from human cognitive review processes. CORE includes two key strategies: Adaptive Quantity Allocation and Quality-Focused Data Selection. The former adaptively modulates the replay buffer allocation for each task based on its forgetting rate, while the latter guarantees the inclusion of representative data that best encapsulates the characteristics of each task within the buffer. Our approach achieves an average accuracy of 37.95% on split-CIFAR10, surpassing the best baseline method by 6.52%. Additionally, it significantly enhances the accuracy of the poorest-performing task by 6.30% compared to the top baseline.

Explanations in interactive machine-learning systems facilitate debugging and improving prediction models. However, the effectiveness of various global model-centric and data-centric explanations in aiding domain experts to detect and resolve potential data issues for model improvement remains unexplored. This research investigates the influence of data-centric and model-centric global explanations in systems that support healthcare experts in optimising models through automated and manual data configurations. We conducted quantitative (n=70) and qualitative (n=30) studies with healthcare experts to explore the impact of different explanations on trust, understandability and model improvement. Our results reveal the insufficiency of global model-centric explanations for guiding users during data configuration. Although data-centric explanations enhanced understanding of post-configuration system changes, a hybrid fusion of both explanation types demonstrated the highest effectiveness. Based on our study results, we also present design implications for effective explanation-driven interactive machine-learning systems.

This paper introduces LeTO, a method for learning constrained visuomotor policy via differentiable trajectory optimization. Our approach uniquely integrates a differentiable optimization layer into the neural network. By formulating the optimization layer as a trajectory optimization problem, we enable the model to end-to-end generate actions in a safe and controlled fashion without extra modules. Our method allows for the introduction of constraints information during the training process, thereby balancing the training objectives of satisfying constraints, smoothing the trajectories, and minimizing errors with demonstrations. This "gray box" method marries the optimization-based safety and interpretability with the powerful representational abilities of neural networks. We quantitatively evaluate LeTO in simulation and on the real robot. In simulation, LeTO achieves a success rate comparable to state-of-the-art imitation learning methods, but the generated trajectories are of less uncertainty, higher quality, and smoother. In real-world experiments, we deployed LeTO to handle constraints-critical tasks. The results show the effectiveness of LeTO comparing with state-of-the-art imitation learning approaches. We release our code at //github.com/ZhengtongXu/LeTO.

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from fully being explored in the field of physics-informed machine learning. We believe that this study will encourage researchers in the machine learning community to actively participate in the interdisciplinary research of physics-informed machine learning.

There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observed data, encoding information on the shape of the dataset in a topological space at different scales, that is, persistent homology of the data, may contain important complementary information, improving both performance and robustness of DL. As convergence of these two emerging ideas, we propose to enhance DL architectures with the most salient time-conditioned topological information of the data and introduce the concept of zigzag persistence into time-aware graph convolutional networks (GCNs). Zigzag persistence provides a systematic and mathematically rigorous framework to track the most important topological features of the observed data that tend to manifest themselves over time. To integrate the extracted time-conditioned topological descriptors into DL, we develop a new topological summary, zigzag persistence image, and derive its theoretical stability guarantees. We validate the new GCNs with a time-aware zigzag topological layer (Z-GCNETs), in application to traffic forecasting and Ethereum blockchain price prediction. Our results indicate that Z-GCNET outperforms 13 state-of-the-art methods on 4 time series datasets.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{//github.com/IBM/EvolveGCN}.

This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.

The cross-domain recommendation technique is an effective way of alleviating the data sparsity in recommender systems by leveraging the knowledge from relevant domains. Transfer learning is a class of algorithms underlying these techniques. In this paper, we propose a novel transfer learning approach for cross-domain recommendation by using neural networks as the base model. We assume that hidden layers in two base networks are connected by cross mappings, leading to the collaborative cross networks (CoNet). CoNet enables dual knowledge transfer across domains by introducing cross connections from one base network to another and vice versa. CoNet is achieved in multi-layer feedforward networks by adding dual connections and joint loss functions, which can be trained efficiently by back-propagation. The proposed model is evaluated on two real-world datasets and it outperforms baseline models by relative improvements of 3.56\% in MRR and 8.94\% in NDCG, respectively.