Non-Euclidean spaces routinely arise in modern statistical applications such as in medical imaging, robotics, and computer vision, to name a few. While traditional Bayesian approaches are applicable to such settings by considering an ambient Euclidean space as the parameter space, we demonstrate the benefits of integrating manifold structure into the Bayesian framework, both theoretically and computationally. Moreover, existing Bayesian approaches which are designed specifically for manifold-valued parameters are primarily model-based, which are typically subject to inaccurate uncertainty quantification under model misspecification. In this article, we propose a robust model-free Bayesian inference for parameters defined on a Riemannian submanifold, which is shown to provide valid uncertainty quantification from a frequentist perspective. Computationally, we propose a Markov chain Monte Carlo to sample from the posterior on the Riemannian submanifold, where the mixing time, in the large sample regime, is shown to depend only on the intrinsic dimension of the parameter space instead of the potentially much larger ambient dimension. Our numerical results demonstrate the effectiveness of our approach on a variety of problems, such as reduced-rank multiple quantile regression, principal component analysis, and Fr\'{e}chet mean estimation.
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Diffusion Probabilistic Models stand as a critical tool in generative modelling, enabling the generation of complex data distributions. This family of generative models yields record-breaking performance in tasks such as image synthesis, video generation, and molecule design. Despite their capabilities, their efficiency, especially in the reverse process, remains a challenge due to slow convergence rates and high computational costs. In this paper, we introduce an approach that leverages continuous dynamical systems to design a novel denoising network for diffusion models that is more parameter-efficient, exhibits faster convergence, and demonstrates increased noise robustness. Experimenting with Denoising Diffusion Probabilistic Models (DDPMs), our framework operates with approximately a quarter of the parameters, and $\sim$ 30\% of the Floating Point Operations (FLOPs) compared to standard U-Nets in DDPMs. Furthermore, our model is notably faster in inference than the baseline when measured in fair and equal conditions. We also provide a mathematical intuition as to why our proposed reverse process is faster as well as a mathematical discussion of the empirical tradeoffs in the denoising downstream task. Finally, we argue that our method is compatible with existing performance enhancement techniques, enabling further improvements in efficiency, quality, and speed.
Dataset distillation is the technique of synthesizing smaller condensed datasets from large original datasets while retaining necessary information to persist the effect. In this paper, we approach the dataset distillation problem from a novel perspective: we regard minimizing the prediction discrepancy on the real data distribution between models, which are respectively trained on the large original dataset and on the small distilled dataset, as a conduit for condensing information from the raw data into the distilled version. An adversarial framework is proposed to solve the problem efficiently. In contrast to existing distillation methods involving nested optimization or long-range gradient unrolling, our approach hinges on single-level optimization. This ensures the memory efficiency of our method and provides a flexible tradeoff between time and memory budgets, allowing us to distil ImageNet-1K using a minimum of only 6.5GB of GPU memory. Under the optimal tradeoff strategy, it requires only 2.5$\times$ less memory and 5$\times$ less runtime compared to the state-of-the-art. Empirically, our method can produce synthetic datasets just 10% the size of the original, yet achieve, on average, 94% of the test accuracy of models trained on the full original datasets including ImageNet-1K, significantly surpassing state-of-the-art. Additionally, extensive tests reveal that our distilled datasets excel in cross-architecture generalization capabilities.
We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.
Reinforcement Learning (RL) systems can be complex and non-interpretable, making it challenging for non-AI experts to understand or intervene in their decisions. This is due in part to the sequential nature of RL in which actions are chosen because of future rewards. However, RL agents discard the qualitative features of their training, making it difficult to recover user-understandable information for "why" an action is chosen. We propose a technique, Experiential Explanations, to generate counterfactual explanations by training influence predictors along with the RL policy. Influence predictors are models that learn how sources of reward affect the agent in different states, thus restoring information about how the policy reflects the environment. A human evaluation study revealed that participants presented with experiential explanations were better able to correctly guess what an agent would do than those presented with other standard types of explanation. Participants also found that experiential explanations are more understandable, satisfying, complete, useful, and accurate. The qualitative analysis provides insights into the factors of experiential explanations that are most useful.
The field of computational pathology has witnessed remarkable progress in the development of both task-specific predictive models and task-agnostic self-supervised vision encoders. However, despite the explosive growth of generative artificial intelligence (AI), there has been limited study on building general purpose, multimodal AI assistants tailored to pathology. Here we present PathChat, a vision-language generalist AI assistant for human pathology using an in-house developed foundational vision encoder pretrained on 100 million histology images from over 100,000 patient cases and 1.18 million pathology image-caption pairs. The vision encoder is then combined with a pretrained large language model and the whole system is finetuned on over 250,000 diverse disease agnostic visual language instructions. We compare PathChat against several multimodal vision language AI assistants as well as GPT4V, which powers the commercially available multimodal general purpose AI assistant ChatGPT-4. When relevant clinical context is provided with the histology image, PathChat achieved a diagnostic accuracy of 87% on multiple-choice questions based on publicly available cases of diverse tissue origins and disease models. Additionally, using open-ended questions and human expert evaluation, we found that overall PathChat produced more accurate and pathologist-preferable responses to diverse queries related to pathology. As an interactive and general vision language AI assistant that can flexibly handle both visual and natural language inputs, PathChat can potentially find impactful applications in pathology education, research, and human-in-the-loop clinical decision making.
In recent years, larger and deeper models are springing up and continuously pushing state-of-the-art (SOTA) results across various fields like natural language processing (NLP) and computer vision (CV). However, despite promising results, it needs to be noted that the computations required by SOTA models have been increased at an exponential rate. Massive computations not only have a surprisingly large carbon footprint but also have negative effects on research inclusiveness and deployment on real-world applications. Green deep learning is an increasingly hot research field that appeals to researchers to pay attention to energy usage and carbon emission during model training and inference. The target is to yield novel results with lightweight and efficient technologies. Many technologies can be used to achieve this goal, like model compression and knowledge distillation. This paper focuses on presenting a systematic review of the development of Green deep learning technologies. We classify these approaches into four categories: (1) compact networks, (2) energy-efficient training strategies, (3) energy-efficient inference approaches, and (4) efficient data usage. For each category, we discuss the progress that has been achieved and the unresolved challenges.
Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.
Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks, and hence late-stage fusion of final representations or predictions from each modality (`late-fusion') is still a dominant paradigm for multimodal video classification. Instead, we introduce a novel transformer based architecture that uses `fusion bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, our model forces information between different modalities to pass through a small number of bottleneck latents, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.
Behaviors of the synthetic characters in current military simulations are limited since they are generally generated by rule-based and reactive computational models with minimal intelligence. Such computational models cannot adapt to reflect the experience of the characters, resulting in brittle intelligence for even the most effective behavior models devised via costly and labor-intensive processes. Observation-based behavior model adaptation that leverages machine learning and the experience of synthetic entities in combination with appropriate prior knowledge can address the issues in the existing computational behavior models to create a better training experience in military training simulations. In this paper, we introduce a framework that aims to create autonomous synthetic characters that can perform coherent sequences of believable behavior while being aware of human trainees and their needs within a training simulation. This framework brings together three mutually complementary components. The first component is a Unity-based simulation environment - Rapid Integration and Development Environment (RIDE) - supporting One World Terrain (OWT) models and capable of running and supporting machine learning experiments. The second is Shiva, a novel multi-agent reinforcement and imitation learning framework that can interface with a variety of simulation environments, and that can additionally utilize a variety of learning algorithms. The final component is the Sigma Cognitive Architecture that will augment the behavior models with symbolic and probabilistic reasoning capabilities. We have successfully created proof-of-concept behavior models leveraging this framework on realistic terrain as an essential step towards bringing machine learning into military simulations.
Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.
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