Quantifying biomechanical properties of the human vasculature could deepen our understanding of cardiovascular diseases. Standard nonlinear regression in constitutive modeling requires considerable high-quality data and an explicit form of the constitutive model as prior knowledge. By contrast, we propose a novel approach that combines generative deep learning with Bayesian inference to efficiently infer families of constitutive relationships in data-sparse regimes. Inspired by the concept of functional priors, we develop a generative adversarial network (GAN) that incorporates a neural operator as the generator and a fully-connected neural network as the discriminator. The generator takes a vector of noise conditioned on measurement data as input and yields the predicted constitutive relationship, which is scrutinized by the discriminator in the following step. We demonstrate that this framework can accurately estimate means and standard deviations of the constitutive relationships of the murine aorta using data collected either from model-generated synthetic data or ex vivo experiments for mice with genetic deficiencies. In addition, the framework learns priors of constitutive models without explicitly knowing their functional form, providing a new model-agnostic approach to learning hidden constitutive behaviors from data.
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In a task where many similar inverse problems must be solved, evaluating costly simulations is impractical. Therefore, replacing the model $y$ with a surrogate model $y_s$ that can be evaluated quickly leads to a significant speedup. The approximation quality of the surrogate model depends strongly on the number, position, and accuracy of the sample points. With an additional finite computational budget, this leads to a problem of (computer) experimental design. In contrast to the selection of sample points, the trade-off between accuracy and effort has hardly been studied systematically. We therefore propose an adaptive algorithm to find an optimal design in terms of position and accuracy. Pursuing a sequential design by incrementally appending the computational budget leads to a convex and constrained optimization problem. As a surrogate, we construct a Gaussian process regression model. We measure the global approximation error in terms of its impact on the accuracy of the identified parameter and aim for a uniform absolute tolerance, assuming that $y_s$ is computed by finite element calculations. A priori error estimates and a coarse estimate of computational effort relate the expected improvement of the surrogate model error to computational effort, resulting in the most efficient combination of sample point and evaluation tolerance. We also allow for improving the accuracy of already existing sample points by continuing previously truncated finite element solution procedures.
Vertical federated learning (VFL) enables the collaborative training of machine learning (ML) models in settings where the data is distributed amongst multiple parties who wish to protect the privacy of their individual data. Notably, in VFL, the labels are available to a single party and the complete feature set is formed only when data from all parties is combined. Recently, Xu et al. proposed a new framework called FedV for secure gradient computation for VFL using multi-input functional encryption. In this work, we explain how some of the information leakage in Xu et al. can be avoided by using Quadratic functional encryption when training generalized linear models for vertical federated learning.
Large language models (LLMs), like ChatGPT, have shown some human-like cognitive abilities. For comparing these abilities of different models, several benchmarks (i.e. sets of standard test questions) from different fields (e.g., Literature, Biology and Psychology) are often adopted and the test results under traditional metrics such as accuracy, recall and F1, are reported. However, such way for evaluating LLMs can be inefficient and inaccurate from the cognitive science perspective. Inspired by Computerized Adaptive Testing (CAT) used in psychometrics, we propose an adaptive testing framework for LLM evaluation. Rather than using a standard test set and simply reporting accuracy, this approach dynamically adjusts the characteristics of the test questions, such as difficulty, based on the model's performance. This allows for a more accurate estimation of the model's abilities, using fewer questions. More importantly, it allows LLMs to be compared with humans easily, which is essential for NLP models that aim for human-level ability. Our diagnostic reports have found that ChatGPT often behaves like a ``careless student'', prone to slip and occasionally guessing the questions. We conduct a fine-grained diagnosis and rank the latest 6 instruction-tuned LLMs from three aspects of Subject Knowledge, Mathematical Reasoning, and Programming, where GPT4 can outperform other models significantly and reach the cognitive ability of middle-level students. Different tests for different models using efficient adaptive testing -- we believe this has the potential to become a new norm in evaluating large language models.
Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.
How can we tell whether two neural networks are utilizing the same internal processes for a particular computation? This question is pertinent for multiple subfields of both neuroscience and machine learning, including neuroAI, mechanistic interpretability, and brain-machine interfaces. Standard approaches for comparing neural networks focus on the spatial geometry of latent states. Yet in recurrent networks, computations are implemented at the level of neural dynamics, which do not have a simple one-to-one mapping with geometry. To bridge this gap, we introduce a novel similarity metric that compares two systems at the level of their dynamics. Our method incorporates two components: Using recent advances in data-driven dynamical systems theory, we learn a high-dimensional linear system that accurately captures core features of the original nonlinear dynamics. Next, we compare these linear approximations via a novel extension of Procrustes Analysis that accounts for how vector fields change under orthogonal transformation. Via four case studies, we demonstrate that our method effectively identifies and distinguishes dynamic structure in recurrent neural networks (RNNs), whereas geometric methods fall short. We additionally show that our method can distinguish learning rules in an unsupervised manner. Our method therefore opens the door to novel data-driven analyses of the temporal structure of neural computation, and to more rigorous testing of RNNs as models of the brain.
Precision and Recall are two prominent metrics of generative performance, which were proposed to separately measure the fidelity and diversity of generative models. Given their central role in comparing and improving generative models, understanding their limitations are crucially important. To that end, in this work, we identify a critical flaw in the common approximation of these metrics using k-nearest-neighbors, namely, that the very interpretations of fidelity and diversity that are assigned to Precision and Recall can fail in high dimensions, resulting in very misleading conclusions. Specifically, we empirically and theoretically show that as the number of dimensions grows, two model distributions with supports at equal point-wise distance from the support of the real distribution, can have vastly different Precision and Recall regardless of their respective distributions, hence an emergent asymmetry in high dimensions. Based on our theoretical insights, we then provide simple yet effective modifications to these metrics to construct symmetric metrics regardless of the number of dimensions. Finally, we provide experiments on real-world datasets to illustrate that the identified flaw is not merely a pathological case, and that our proposed metrics are effective in alleviating its impact.
We propose a hybrid neural network (NN) and PDE approach for learning generalizable PDE dynamics from motion observations. Many NN approaches learn an end-to-end model that implicitly models both the governing PDE and constitutive models (or material models). Without explicit PDE knowledge, these approaches cannot guarantee physical correctness and have limited generalizability. We argue that the governing PDEs are often well-known and should be explicitly enforced rather than learned. Instead, constitutive models are particularly suitable for learning due to their data-fitting nature. To this end, we introduce a new framework termed "Neural Constitutive Laws" (NCLaw), which utilizes a network architecture that strictly guarantees standard constitutive priors, including rotation equivariance and undeformed state equilibrium. We embed this network inside a differentiable simulation and train the model by minimizing a loss function based on the difference between the simulation and the motion observation. We validate NCLaw on various large-deformation dynamical systems, ranging from solids to fluids. After training on a single motion trajectory, our method generalizes to new geometries, initial/boundary conditions, temporal ranges, and even multi-physics systems. On these extremely out-of-distribution generalization tasks, NCLaw is orders-of-magnitude more accurate than previous NN approaches. Real-world experiments demonstrate our method's ability to learn constitutive laws from videos.
We introduce a Loss Discounting Framework for model and forecast combination which generalises and combines Bayesian model synthesis and generalized Bayes methodologies. We use a loss function to score the performance of different models and introduce a multilevel discounting scheme which allows a flexible specification of the dynamics of the model weights. This novel and simple model combination approach can be easily applied to large scale model averaging/selection, can handle unusual features such as sudden regime changes, and can be tailored to different forecasting problems. We compare our method to both established methodologies and state of the art methods for a number of macroeconomic forecasting examples. We find that the proposed method offers an attractive, computationally efficient alternative to the benchmark methodologies and often outperforms more complex techniques.
Graph Convolutional Networks (GCNs) have been widely applied in various fields due to their significant power on processing graph-structured data. Typical GCN and its variants work under a homophily assumption (i.e., nodes with same class are prone to connect to each other), while ignoring the heterophily which exists in many real-world networks (i.e., nodes with different classes tend to form edges). Existing methods deal with heterophily by mainly aggregating higher-order neighborhoods or combing the immediate representations, which leads to noise and irrelevant information in the result. But these methods did not change the propagation mechanism which works under homophily assumption (that is a fundamental part of GCNs). This makes it difficult to distinguish the representation of nodes from different classes. To address this problem, in this paper we design a novel propagation mechanism, which can automatically change the propagation and aggregation process according to homophily or heterophily between node pairs. To adaptively learn the propagation process, we introduce two measurements of homophily degree between node pairs, which is learned based on topological and attribute information, respectively. Then we incorporate the learnable homophily degree into the graph convolution framework, which is trained in an end-to-end schema, enabling it to go beyond the assumption of homophily. More importantly, we theoretically prove that our model can constrain the similarity of representations between nodes according to their homophily degree. Experiments on seven real-world datasets demonstrate that this new approach outperforms the state-of-the-art methods under heterophily or low homophily, and gains competitive performance under homophily.
We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.
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