Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the standard Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories, and demonstrate how the framework may be adopted for learning bridges between two distributions. The results underscores NFDM's versatility and its potential for a wide range of applications.
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Processing 是一門開源編程語言和與之配套的集成開發環境（IDE）的名稱。Processing 在電子藝術和視覺設計社區被用來教授編程基礎，并運用于大量的新媒體和互動藝術作品中。
Deep learning-based trajectory prediction models for autonomous driving often struggle with generalization to out-of-distribution (OOD) scenarios, sometimes performing worse than simple rule-based models. To address this limitation, we propose a novel framework, Adaptive Prediction Ensemble (APE), which integrates deep learning and rule-based prediction experts. A learned routing function, trained concurrently with the deep learning model, dynamically selects the most reliable prediction based on the input scenario. Our experiments on large-scale datasets, including Waymo Open Motion Dataset (WOMD) and Argoverse, demonstrate improvement in zero-shot generalization across datasets. We show that our method outperforms individual prediction models and other variants, particularly in long-horizon prediction and scenarios with a high proportion of OOD data. This work highlights the potential of hybrid approaches for robust and generalizable motion prediction in autonomous driving.
Large language models exhibit exceptional generalization capabilities, primarily attributed to the utilization of diversely sourced data. However, conventional practices in integrating this diverse data heavily rely on heuristic schemes, lacking theoretical guidance. This research tackles these limitations by investigating strategies based on low-cost proxies for data mixtures, with the aim of streamlining data curation to enhance training efficiency. Specifically, we propose a unified scaling law, termed $\textbf{BiMix}$, which accurately models the bivariate scaling behaviors of both data quantity and mixing proportions. We conduct systematic experiments and provide empirical evidence for the predictive power and fundamental principles of $\textbf{BiMix}$. Notably, our findings reveal that entropy-driven training-free data mixtures can achieve comparable or even better performance than more resource-intensive methods. We hope that our quantitative insights can shed light on further judicious research and development in cost-effective language modeling.
Assessing different material properties to predict specific attributes, such as band gap, resistivity, young modulus, work function, and refractive index, is a fundamental requirement for materials science-based applications. However, the process is time-consuming and often requires extensive literature reviews and numerous experiments. Our study addresses these challenges by leveraging machine learning to analyze material properties with greater precision and efficiency. By automating the data extraction process and using the extracted information to train machine learning models, our developed model, SciQu, optimizes material properties. As a proof of concept, we predicted the refractive index of materials using data extracted from numerous research articles with SciQu, considering input descriptors such as space group, volume, and bandgap with Root Mean Square Error (RMSE) 0.068 and R2 0.94. Thus, SciQu not only predicts the properties of materials but also plays a key role in self-driving laboratories by optimizing the synthesis parameters to achieve precise shape, size, and phase of the materials subjected to the input parameters.
Predictive models are a crucial component of many robotic systems. Yet, constructing accurate predictive models for a variety of deformable objects, especially those with unknown physical properties, remains a significant challenge. This paper introduces AdaptiGraph, a learning-based dynamics modeling approach that enables robots to predict, adapt to, and control a wide array of challenging deformable materials with unknown physical properties. AdaptiGraph leverages the highly flexible graph-based neural dynamics (GBND) framework, which represents material bits as particles and employs a graph neural network (GNN) to predict particle motion. Its key innovation is a unified physical property-conditioned GBND model capable of predicting the motions of diverse materials with varying physical properties without retraining. Upon encountering new materials during online deployment, AdaptiGraph utilizes a physical property optimization process for a few-shot adaptation of the model, enhancing its fit to the observed interaction data. The adapted models can precisely simulate the dynamics and predict the motion of various deformable materials, such as ropes, granular media, rigid boxes, and cloth, while adapting to different physical properties, including stiffness, granular size, and center of pressure. On prediction and manipulation tasks involving a diverse set of real-world deformable objects, our method exhibits superior prediction accuracy and task proficiency over non-material-conditioned and non-adaptive models. The project page is available at //robopil.github.io/adaptigraph/ .
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.
Traffic forecasting is an important factor for the success of intelligent transportation systems. Deep learning models including convolution neural networks and recurrent neural networks have been applied in traffic forecasting problems to model the spatial and temporal dependencies. In recent years, to model the graph structures in the transportation systems as well as the contextual information, graph neural networks (GNNs) are introduced as new tools and have achieved the state-of-the-art performance in a series of traffic forecasting problems. In this survey, we review the rapidly growing body of recent research using different GNNs, e.g., graph convolutional and graph attention networks, in various traffic forecasting problems, e.g., road traffic flow and speed forecasting, passenger flow forecasting in urban rail transit systems, demand forecasting in ride-hailing platforms, etc. We also present a collection of open data and source resources for each problem, as well as future research directions. To the best of our knowledge, this paper is the first comprehensive survey that explores the application of graph neural networks for traffic forecasting problems. We have also created a public Github repository to update the latest papers, open data and source resources.
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.
The difficulty of deploying various deep learning (DL) models on diverse DL hardwares has boosted the research and development of DL compilers in the community. Several DL compilers have been proposed from both industry and academia such as Tensorflow XLA and TVM. Similarly, the DL compilers take the DL models described in different DL frameworks as input, and then generate optimized codes for diverse DL hardwares as output. However, none of the existing survey has analyzed the unique design of the DL compilers comprehensively. In this paper, we perform a comprehensive survey of existing DL compilers by dissecting the commonly adopted design in details, with emphasis on the DL oriented multi-level IRs, and frontend/backend optimizations. Specifically, we provide a comprehensive comparison among existing DL compilers from various aspects. In addition, we present detailed analysis of the multi-level IR design and compiler optimization techniques. Finally, several insights are highlighted as the potential research directions of DL compiler. This is the first survey paper focusing on the unique design of DL compiler, which we hope can pave the road for future research towards the DL compiler.
With the capability of modeling bidirectional contexts, denoising autoencoding based pretraining like BERT achieves better performance than pretraining approaches based on autoregressive language modeling. However, relying on corrupting the input with masks, BERT neglects dependency between the masked positions and suffers from a pretrain-finetune discrepancy. In light of these pros and cons, we propose XLNet, a generalized autoregressive pretraining method that (1) enables learning bidirectional contexts by maximizing the expected likelihood over all permutations of the factorization order and (2) overcomes the limitations of BERT thanks to its autoregressive formulation. Furthermore, XLNet integrates ideas from Transformer-XL, the state-of-the-art autoregressive model, into pretraining. Empirically, XLNet outperforms BERT on 20 tasks, often by a large margin, and achieves state-of-the-art results on 18 tasks including question answering, natural language inference, sentiment analysis, and document ranking.
To provide more accurate, diverse, and explainable recommendation, it is compulsory to go beyond modeling user-item interactions and take side information into account. Traditional methods like factorization machine (FM) cast it as a supervised learning problem, which assumes each interaction as an independent instance with side information encoded. Due to the overlook of the relations among instances or items (e.g., the director of a movie is also an actor of another movie), these methods are insufficient to distill the collaborative signal from the collective behaviors of users. In this work, we investigate the utility of knowledge graph (KG), which breaks down the independent interaction assumption by linking items with their attributes. We argue that in such a hybrid structure of KG and user-item graph, high-order relations --- which connect two items with one or multiple linked attributes --- are an essential factor for successful recommendation. We propose a new method named Knowledge Graph Attention Network (KGAT) which explicitly models the high-order connectivities in KG in an end-to-end fashion. It recursively propagates the embeddings from a node's neighbors (which can be users, items, or attributes) to refine the node's embedding, and employs an attention mechanism to discriminate the importance of the neighbors. Our KGAT is conceptually advantageous to existing KG-based recommendation methods, which either exploit high-order relations by extracting paths or implicitly modeling them with regularization. Empirical results on three public benchmarks show that KGAT significantly outperforms state-of-the-art methods like Neural FM and RippleNet. Further studies verify the efficacy of embedding propagation for high-order relation modeling and the interpretability benefits brought by the attention mechanism.
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