We propose a Dynamical System (DS) approach to learn complex, possibly periodic motion plans from kinesthetic demonstrations using Neural Ordinary Differential Equations (NODE). To ensure reactivity and robustness to disturbances, we propose a novel approach that selects a target point at each time step for the robot to follow, by combining tools from control theory and the target trajectory generated by the learned NODE. A correction term to the NODE model is computed online by solving a quadratic program that guarantees stability and safety using control Lyapunov functions and control barrier functions, respectively. Our approach outperforms baseline DS learning techniques on the LASA handwriting dataset and complex periodic trajectories. It is also validated on the Franka Emika robot arm to produce stable motions for wiping and stirring tasks that do not have a single attractor, while being robust to perturbations and safe around humans and obstacles.
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Hypervolume improvement (HVI) is commonly employed in multi-objective Bayesian optimization algorithms to define acquisition functions due to its Pareto-compliant property. Rather than focusing on specific statistical moments of HVI, this work aims to provide the exact expression of HVI's probability distribution for bi-objective problems. Considering a bi-variate Gaussian random variable resulting from Gaussian process (GP) modeling, we derive the probability distribution of its hypervolume improvement via a cell partition-based method. Our exact expression is superior in numerical accuracy and computation efficiency compared to the Monte Carlo approximation of HVI's distribution. Utilizing this distribution, we propose a novel acquisition function - $\varepsilon$-probability of hypervolume improvement ($\varepsilon$-PoHVI). Experimentally, we show that on many widely-applied bi-objective test problems, $\varepsilon$-PoHVI significantly outperforms other related acquisition functions, e.g., $\varepsilon$-PoI, and expected hypervolume improvement, when the GP model exhibits a large the prediction uncertainty.
In this work, we introduce Brain Latent Progression (BrLP), a novel spatiotemporal disease progression model based on latent diffusion. BrLP is designed to predict the evolution of diseases at the individual level on 3D brain MRIs. Existing deep generative models developed for this task are primarily data-driven and face challenges in learning disease progressions. BrLP addresses these challenges by incorporating prior knowledge from disease models to enhance the accuracy of predictions. To implement this, we propose to integrate an auxiliary model that infers volumetric changes in various brain regions. Additionally, we introduce Latent Average Stabilization (LAS), a novel technique to improve spatiotemporal consistency of the predicted progression. BrLP is trained and evaluated on a large dataset comprising 11,730 T1-weighted brain MRIs from 2,805 subjects, collected from three publicly available, longitudinal Alzheimer's Disease (AD) studies. In our experiments, we compare the MRI scans generated by BrLP with the actual follow-up MRIs available from the subjects, in both cross-sectional and longitudinal settings. BrLP demonstrates significant improvements over existing methods, with an increase of 22% in volumetric accuracy across AD-related brain regions and 43% in image similarity to the ground-truth scans. The ability of BrLP to generate conditioned 3D scans at the subject level, along with the novelty of integrating prior knowledge to enhance accuracy, represents a significant advancement in disease progression modeling, opening new avenues for precision medicine. The code of BrLP is available at the following link: //github.com/LemuelPuglisi/BrLP.
With the rapid surge in the prevalence of Large Language Models (LLMs), individuals are increasingly turning to conversational AI for initial insights across various domains, including health-related inquiries such as disease diagnosis. Many users seek potential causes on platforms like ChatGPT or Bard before consulting a medical professional for their ailment. These platforms offer valuable benefits by streamlining the diagnosis process, alleviating the significant workload of healthcare practitioners, and saving users both time and money by avoiding unnecessary doctor visits. However, Despite the convenience of such platforms, sharing personal medical data online poses risks, including the presence of malicious platforms or potential eavesdropping by attackers. To address privacy concerns, we propose a novel framework combining FHE and Deep Learning for a secure and private diagnosis system. Operating on a question-and-answer-based model akin to an interaction with a medical practitioner, this end-to-end secure system employs Fully Homomorphic Encryption (FHE) to handle encrypted input data. Given FHE's computational constraints, we adapt deep neural networks and activation functions to the encryted domain. Further, we also propose a faster algorithm to compute summation of ciphertext elements. Through rigorous experiments, we demonstrate the efficacy of our approach. The proposed framework achieves strict security and privacy with minimal loss in performance.
By concatenating a polar transform with a convolutional transform, polarization-adjusted convolutional (PAC) codes can reach the dispersion approximation bound in certain rate cases. However, the sequential decoding nature of traditional PAC decoding algorithms results in high decoding latency. Due to the parallel computing capability, deep neural network (DNN) decoders have emerged as a promising solution. In this paper, we propose three types of DNN decoders for PAC codes: multi-layer perceptron (MLP), convolutional neural network (CNN), and recurrent neural network (RNN). The performance of these DNN decoders is evaluated through extensive simulation. Numerical results show that the MLP decoder has the best error-correction performance under a similar model parameter number.
Surrogate neural network-based partial differential equation (PDE) solvers have the potential to solve PDEs in an accelerated manner, but they are largely limited to systems featuring fixed domain sizes, geometric layouts, and boundary conditions. We propose Specialized Neural Accelerator-Powered Domain Decomposition Methods (SNAP-DDM), a DDM-based approach to PDE solving in which subdomain problems containing arbitrary boundary conditions and geometric parameters are accurately solved using an ensemble of specialized neural operators. We tailor SNAP-DDM to 2D electromagnetics and fluidic flow problems and show how innovations in network architecture and loss function engineering can produce specialized surrogate subdomain solvers with near unity accuracy. We utilize these solvers with standard DDM algorithms to accurately solve freeform electromagnetics and fluids problems featuring a wide range of domain sizes.
We present a translation from linear temporal logic with past to deterministic Rabin automata. The translation is direct in the sense that it does not rely on intermediate non-deterministic automata, and asymptotically optimal, resulting in Rabin automata of doubly exponential size. It is based on two main notions. One is that it is possible to encode the history contained in the prefix of a word, as relevant for the formula under consideration, by performing simple rewrites of the formula itself. As a consequence, a formula involving past operators can (through such rewrites, which involve alternating between weak and strong versions of past operators in the formula's syntax tree) be correctly evaluated at an arbitrary point in the future without requiring backtracking through the word. The other is that this allows us to generalize to linear temporal logic with past the result that the language of a pure-future formula can be decomposed into a Boolean combination of simpler languages, for which deterministic automata with simple acceptance conditions are easily constructed.
Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.
Automatic KB completion for commonsense knowledge graphs (e.g., ATOMIC and ConceptNet) poses unique challenges compared to the much studied conventional knowledge bases (e.g., Freebase). Commonsense knowledge graphs use free-form text to represent nodes, resulting in orders of magnitude more nodes compared to conventional KBs (18x more nodes in ATOMIC compared to Freebase (FB15K-237)). Importantly, this implies significantly sparser graph structures - a major challenge for existing KB completion methods that assume densely connected graphs over a relatively smaller set of nodes. In this paper, we present novel KB completion models that can address these challenges by exploiting the structural and semantic context of nodes. Specifically, we investigate two key ideas: (1) learning from local graph structure, using graph convolutional networks and automatic graph densification and (2) transfer learning from pre-trained language models to knowledge graphs for enhanced contextual representation of knowledge. We describe our method to incorporate information from both these sources in a joint model and provide the first empirical results for KB completion on ATOMIC and evaluation with ranking metrics on ConceptNet. Our results demonstrate the effectiveness of language model representations in boosting link prediction performance and the advantages of learning from local graph structure (+1.5 points in MRR for ConceptNet) when training on subgraphs for computational efficiency. Further analysis on model predictions shines light on the types of commonsense knowledge that language models capture well.
Incompleteness is a common problem for existing knowledge graphs (KGs), and the completion of KG which aims to predict links between entities is challenging. Most existing KG completion methods only consider the direct relation between nodes and ignore the relation paths which contain useful information for link prediction. Recently, a few methods take relation paths into consideration but pay less attention to the order of relations in paths which is important for reasoning. In addition, these path-based models always ignore nonlinear contributions of path features for link prediction. To solve these problems, we propose a novel KG completion method named OPTransE. Instead of embedding both entities of a relation into the same latent space as in previous methods, we project the head entity and the tail entity of each relation into different spaces to guarantee the order of relations in the path. Meanwhile, we adopt a pooling strategy to extract nonlinear and complex features of different paths to further improve the performance of link prediction. Experimental results on two benchmark datasets show that the proposed model OPTransE performs better than state-of-the-art methods.
Pre-trained deep neural network language models such as ELMo, GPT, BERT and XLNet have recently achieved state-of-the-art performance on a variety of language understanding tasks. However, their size makes them impractical for a number of scenarios, especially on mobile and edge devices. In particular, the input word embedding matrix accounts for a significant proportion of the model's memory footprint, due to the large input vocabulary and embedding dimensions. Knowledge distillation techniques have had success at compressing large neural network models, but they are ineffective at yielding student models with vocabularies different from the original teacher models. We introduce a novel knowledge distillation technique for training a student model with a significantly smaller vocabulary as well as lower embedding and hidden state dimensions. Specifically, we employ a dual-training mechanism that trains the teacher and student models simultaneously to obtain optimal word embeddings for the student vocabulary. We combine this approach with learning shared projection matrices that transfer layer-wise knowledge from the teacher model to the student model. Our method is able to compress the BERT_BASE model by more than 60x, with only a minor drop in downstream task metrics, resulting in a language model with a footprint of under 7MB. Experimental results also demonstrate higher compression efficiency and accuracy when compared with other state-of-the-art compression techniques.
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