Input gradients have a pivotal role in a variety of applications, including adversarial attack algorithms for evaluating model robustness, explainable AI techniques for generating Saliency Maps, and counterfactual explanations.However, Saliency Maps generated by traditional neural networks are often noisy and provide limited insights. In this paper, we demonstrate that, on the contrary, the Saliency Maps of 1-Lipschitz neural networks, learned with the dual loss of an optimal transportation problem, exhibit desirable XAI properties:They are highly concentrated on the essential parts of the image with low noise, significantly outperforming state-of-the-art explanation approaches across various models and metrics. We also prove that these maps align unprecedentedly well with human explanations on ImageNet.To explain the particularly beneficial properties of the Saliency Map for such models, we prove this gradient encodes both the direction of the transportation plan and the direction towards the nearest adversarial attack. Following the gradient down to the decision boundary is no longer considered an adversarial attack, but rather a counterfactual explanation that explicitly transports the input from one class to another. Thus, Learning with such a loss jointly optimizes the classification objective and the alignment of the gradient, i.e. the Saliency Map, to the transportation plan direction.These networks were previously known to be certifiably robust by design, and we demonstrate that they scale well for large problems and models, and are tailored for explainability using a fast and straightforward method.
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神經網絡（Neural Networks）是世界上三個最古老的神經建模學會的檔案期刊:國際神經網絡學會(INNS)、歐洲神經網絡學會(ENNS)和日本神經網絡學會(JNNS)。神經網絡提供了一個論壇，以發展和培育一個國際社會的學者和實踐者感興趣的所有方面的神經網絡和相關方法的計算智能。神經網絡歡迎高質量論文的提交，有助于全面的神經網絡研究，從行為和大腦建模，學習算法，通過數學和計算分析，系統的工程和技術應用，大量使用神經網絡的概念和技術。這一獨特而廣泛的范圍促進了生物和技術研究之間的思想交流，并有助于促進對生物啟發的計算智能感興趣的跨學科社區的發展。因此，神經網絡編委會代表的專家領域包括心理學，神經生物學，計算機科學，工程，數學，物理。該雜志發表文章、信件和評論以及給編輯的信件、社論、時事、軟件調查和專利信息。文章發表在五個部分之一:認知科學，神經科學，學習系統，數學和計算分析、工程和應用。
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Surface parameterization is a fundamental geometry processing problem with rich downstream applications. Traditional approaches are designed to operate on well-behaved mesh models with high-quality triangulations that are laboriously produced by specialized 3D modelers, and thus unable to meet the processing demand for the current explosion of ordinary 3D data. In this paper, we seek to perform UV unwrapping on unstructured 3D point clouds. Technically, we propose ParaPoint, an unsupervised neural learning pipeline for achieving global free-boundary surface parameterization by building point-wise mappings between given 3D points and 2D UV coordinates with adaptively deformed boundaries. We ingeniously construct several geometrically meaningful sub-networks with specific functionalities, and assemble them into a bi-directional cycle mapping framework. We also design effective loss functions and auxiliary differential geometric constraints for the optimization of the neural mapping process. To the best of our knowledge, this work makes the first attempt to investigate neural point cloud parameterization that pursues both global mappings and free boundaries. Experiments demonstrate the effectiveness and inspiring potential of our proposed learning paradigm. The code will be publicly available.
We present variational inference with sequential sample-average approximation (VISA), a method for approximate inference in computationally intensive models, such as those based on numerical simulations. VISA extends importance-weighted forward-KL variational inference by employing a sequence of sample-average approximations, which are considered valid inside a trust region. This makes it possible to reuse model evaluations across multiple gradient steps, thereby reducing computational cost. We perform experiments on high-dimensional Gaussians, Lotka-Volterra dynamics, and a Pickover attractor, which demonstrate that VISA can achieve comparable approximation accuracy to standard importance-weighted forward-KL variational inference with computational savings of a factor two or more for conservatively chosen learning rates.
Automatic differentiation (AD) is a critical step in physics-informed machine learning, required for computing the high-order derivatives of network output w.r.t. coordinates of collocation points. In this paper, we present a novel and lightweight algorithm to conduct AD for physics-informed operator learning, which we call the trick of Zero Coordinate Shift (ZCS). Instead of making all sampled coordinates as leaf variables, ZCS introduces only one scalar-valued leaf variable for each spatial or temporal dimension, simplifying the wanted derivatives from "many-roots-many-leaves" to "one-root-many-leaves" whereby reverse-mode AD becomes directly utilisable. It has led to an outstanding performance leap by avoiding the duplication of the computational graph along the dimension of functions (physical parameters). ZCS is easy to implement with current deep learning libraries; our own implementation is achieved by extending the DeepXDE package. We carry out a comprehensive benchmark analysis and several case studies, training physics-informed DeepONets to solve partial differential equations (PDEs) without data. The results show that ZCS has persistently reduced GPU memory consumption and wall time for training by an order of magnitude, and such reduction factor scales with the number of functions. As a low-level optimisation technique, ZCS imposes no restrictions on data, physics (PDE) or network architecture and does not compromise training results from any aspect.
Diffusion models have demonstrated strong potential for robotic trajectory planning. However, generating coherent trajectories from high-level instructions remains challenging, especially for long-range composition tasks requiring multiple sequential skills. We propose SkillDiffuser, an end-to-end hierarchical planning framework integrating interpretable skill learning with conditional diffusion planning to address this problem. At the higher level, the skill abstraction module learns discrete, human-understandable skill representations from visual observations and language instructions. These learned skill embeddings are then used to condition the diffusion model to generate customized latent trajectories aligned with the skills. This allows generating diverse state trajectories that adhere to the learnable skills. By integrating skill learning with conditional trajectory generation, SkillDiffuser produces coherent behavior following abstract instructions across diverse tasks. Experiments on multi-task robotic manipulation benchmarks like Meta-World and LOReL demonstrate state-of-the-art performance and human-interpretable skill representations from SkillDiffuser. More visualization results and information could be found on our website.
Graphs with abundant attributes are essential in modeling interconnected entities and improving predictions in various real-world applications. Traditional Graph Neural Networks (GNNs), which are commonly used for modeling attributed graphs, need to be re-trained every time when applied to different graph tasks and datasets. Although the emergence of Large Language Models (LLMs) has introduced a new paradigm in natural language processing, the generative potential of LLMs in graph mining remains largely under-explored. To this end, we propose a novel framework MuseGraph, which seamlessly integrates the strengths of GNNs and LLMs and facilitates a more effective and generic approach for graph mining across different tasks and datasets. Specifically, we first introduce a compact graph description via the proposed adaptive input generation to encapsulate key information from the graph under the constraints of language token limitations. Then, we propose a diverse instruction generation mechanism, which distills the reasoning capabilities from LLMs (e.g., GPT-4) to create task-specific Chain-of-Thought-based instruction packages for different graph tasks. Finally, we propose a graph-aware instruction tuning with a dynamic instruction package allocation strategy across tasks and datasets, ensuring the effectiveness and generalization of the training process. Our experimental results demonstrate significant improvements in different graph tasks, showcasing the potential of our MuseGraph in enhancing the accuracy of graph-oriented downstream tasks while keeping the generation powers of LLMs.
Transformer architectures have facilitated the development of large-scale and general-purpose sequence models for prediction tasks in natural language processing and computer vision, e.g., GPT-3 and Swin Transformer. Although originally designed for prediction problems, it is natural to inquire about their suitability for sequential decision-making and reinforcement learning problems, which are typically beset by long-standing issues involving sample efficiency, credit assignment, and partial observability. In recent years, sequence models, especially the Transformer, have attracted increasing interest in the RL communities, spawning numerous approaches with notable effectiveness and generalizability. This survey presents a comprehensive overview of recent works aimed at solving sequential decision-making tasks with sequence models such as the Transformer, by discussing the connection between sequential decision-making and sequence modeling, and categorizing them based on the way they utilize the Transformer. Moreover, this paper puts forth various potential avenues for future research intending to improve the effectiveness of large sequence models for sequential decision-making, encompassing theoretical foundations, network architectures, algorithms, and efficient training systems. As this article has been accepted by the Frontiers of Computer Science, here is an early version, and the most up-to-date version can be found at //journal.hep.com.cn/fcs/EN/10.1007/s11704-023-2689-5
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
Current models for event causality identification (ECI) mainly adopt a supervised framework, which heavily rely on labeled data for training. Unfortunately, the scale of current annotated datasets is relatively limited, which cannot provide sufficient support for models to capture useful indicators from causal statements, especially for handing those new, unseen cases. To alleviate this problem, we propose a novel approach, shortly named CauSeRL, which leverages external causal statements for event causality identification. First of all, we design a self-supervised framework to learn context-specific causal patterns from external causal statements. Then, we adopt a contrastive transfer strategy to incorporate the learned context-specific causal patterns into the target ECI model. Experimental results show that our method significantly outperforms previous methods on EventStoryLine and Causal-TimeBank (+2.0 and +3.4 points on F1 value respectively).
Generative commonsense reasoning which aims to empower machines to generate sentences with the capacity of reasoning over a set of concepts is a critical bottleneck for text generation. Even the state-of-the-art pre-trained language generation models struggle at this task and often produce implausible and anomalous sentences. One reason is that they rarely consider incorporating the knowledge graph which can provide rich relational information among the commonsense concepts. To promote the ability of commonsense reasoning for text generation, we propose a novel knowledge graph augmented pre-trained language generation model KG-BART, which encompasses the complex relations of concepts through the knowledge graph and produces more logical and natural sentences as output. Moreover, KG-BART can leverage the graph attention to aggregate the rich concept semantics that enhances the model generalization on unseen concept sets. Experiments on benchmark CommonGen dataset verify the effectiveness of our proposed approach by comparing with several strong pre-trained language generation models, particularly KG-BART outperforms BART by 5.80, 4.60, in terms of BLEU-3, 4. Moreover, we also show that the generated context by our model can work as background scenarios to benefit downstream commonsense QA tasks.
We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.
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