Real engineering and scientific applications often involve one or more qualitative inputs. Standard Gaussian processes (GPs), however, cannot directly accommodate qualitative inputs. The recently introduced latent variable Gaussian process (LVGP) overcomes this issue by first mapping each qualitative factor to underlying latent variables (LVs), and then uses any standard GP covariance function over these LVs. The LVs are estimated similarly to the other GP hyperparameters through maximum likelihood estimation, and then plugged into the prediction expressions. However, this plug-in approach will not account for uncertainty in estimation of the LVs, which can be significant especially with limited training data. In this work, we develop a fully Bayesian approach for the LVGP model and for visualizing the effects of the qualitative inputs via their LVs. We also develop approximations for scaling up LVGPs and fully Bayesian inference for the LVGP hyperparameters. We conduct numerical studies comparing plug-in inference against fully Bayesian inference over a few engineering models and material design applications. In contrast to previous studies on standard GP modeling that have largely concluded that a fully Bayesian treatment offers limited improvements, our results show that for LVGP modeling it offers significant improvements in prediction accuracy and uncertainty quantification over the plug-in approach.

数据驱动的设计显示了加速材料发现的希望，但由于搜索化学，结构和合成方法的庞大设计空间的高昂成本，这是具有挑战性的。贝叶斯优化（BO）采用不确定性的机器学习模型来选择有前途的设计来评估，从而降低成本。但是，在材料设计中特别感兴趣的具有混合数值和分类变量的BO尚未得到很好的研究。在这项工作中，我们调查了使用混合变量对机器学习的不确定性量化的常见主义者和贝叶斯方法。然后，我们使用来自每个组的流行代表模型，基于森林的LOLO模型（频繁主义者）和潜在的可变高斯过程模型（贝叶斯）进行了对BO中其表现的系统比较研究。我们研究了这两个模型在数学函数优化的功效以及结构和功能材料的特性，在其中我们观察到与问题维度和复杂性有关的性能差异。通过研究机器学习模型的预测性和不确定性估计功能，我们可以解释观察到的性能差异。我们的结果为在材料设计中的混合变量BO中选择频繁和贝叶斯不确定性的机器学习模型提供了实用的指导。

We propose an ensemble approach to predict the labels in linear programming word problems. The entity identification and the meaning representation are two types of tasks to be solved in the NL4Opt competition. We propose the ensembleCRF method to identify the named entities for the first task. We found that single models didn't improve for the given task in our analysis. A set of prediction models predict the entities. The generated results are combined to form a consensus result in the ensembleCRF method. We present an ensemble text generator to produce the representation sentences for the second task. We thought of dividing the problem into multiple small tasks due to the overflow in the output. A single model generates different representations based on the prompt. All the generated text is combined to form an ensemble and produce a mathematical meaning of a linear programming problem.

This paper presents a safety-critical locomotion control framework for quadrupedal robots. Our goal is to enable quadrupedal robots to safely navigate in cluttered environments. To tackle this, we introduce exponential Discrete Control Barrier Functions (exponential DCBFs) with duality-based obstacle avoidance constraints into a Nonlinear Model Predictive Control (NMPC) with Whole-Body Control (WBC) framework for quadrupedal locomotion control. This enables us to use polytopes to describe the shapes of the robot and obstacles for collision avoidance while doing locomotion control of quadrupedal robots. Compared to most prior work, especially using CBFs, that utilize spherical and conservative approximation for obstacle avoidance, this work demonstrates a quadrupedal robot autonomously and safely navigating through very tight spaces in the real world. (Our open-source code is available at github.com/HybridRobotics/quadruped_nmpc_dcbf_duality, and the video is available at youtu.be/p1gSQjwXm1Q.)

Recent work has shown that fine-tuning large pre-trained language models on a collection of tasks described via instructions, a.k.a. instruction-tuning, improves their zero and few-shot generalization to unseen tasks. However, there is a limited understanding of the performance trade-offs of different decisions made during the instruction-tuning process. These decisions include the scale and diversity of the instruction-tuning benchmark, different task sampling strategies, fine-tuning with and without demonstrations, training using specialized datasets for reasoning and dialogue, and finally, the fine-tuning objectives themselves. In this paper, we characterize the effect of instruction-tuning decisions on downstream task performance when scaling both model and benchmark sizes. To this end, we create OPT-IML Bench: a large benchmark for Instruction Meta-Learning (IML) of 2000 NLP tasks consolidated into task categories from 8 existing benchmarks, and prepare an evaluation framework to measure three types of model generalizations: to tasks from fully held-out categories, to held-out tasks from seen categories, and to held-out instances from seen tasks. Through the lens of this framework, we first present insights about instruction-tuning decisions as applied to OPT-30B and further exploit these insights to train OPT-IML 30B and 175B, which are instruction-tuned versions of OPT. OPT-IML demonstrates all three generalization abilities at both scales on four different evaluation benchmarks with diverse tasks and input formats -- PromptSource, FLAN, Super-NaturalInstructions, and UnifiedSKG. Not only does it significantly outperform OPT on all benchmarks but is also highly competitive with existing models fine-tuned on each specific benchmark. We release OPT-IML at both scales, together with the OPT-IML Bench evaluation framework.

Quantum computing (QC) promises significant advantages on certain hard computational tasks over classical computers. However, current quantum hardware, also known as noisy intermediate-scale quantum computers (NISQ), are still unable to carry out computations faithfully mainly because of the lack of quantum error correction (QEC) capability. A significant amount of theoretical studies have provided various types of QEC codes; one of the notable topological codes is the surface code, and its features, such as the requirement of only nearest-neighboring two-qubit control gates and a large error threshold, make it a leading candidate for scalable quantum computation. Recent developments of machine learning (ML)-based techniques especially the reinforcement learning (RL) methods have been applied to the decoding problem and have already made certain progress. Nevertheless, the device noise pattern may change over time, making trained decoder models ineffective. In this paper, we propose a continual reinforcement learning method to address these decoding challenges. Specifically, we implement double deep Q-learning with probabilistic policy reuse (DDQN-PPR) model to learn surface code decoding strategies for quantum environments with varying noise patterns. Through numerical simulations, we show that the proposed DDQN-PPR model can significantly reduce the computational complexity. Moreover, increasing the number of trained policies can further improve the agent's performance. Our results open a way to build more capable RL agents which can leverage previously gained knowledge to tackle QEC challenges.

Transformer-based language models have been shown to be highly effective for several NLP tasks. In this paper, we consider three transformer models, BERT, RoBERTa, and XLNet, in both small and large version, and investigate how faithful their representations are with respect to the semantic content of texts. We formalize a notion of semantic faithfulness, in which the semantic content of a text should causally figure in a model's inferences in question answering. We then test this notion by observing a model's behavior on answering questions about a story after performing two novel semantic interventions -- deletion intervention and negation intervention. While transformer models achieve high performance on standard question answering tasks, we show that they fail to be semantically faithful once we perform these interventions for a significant number of cases (~50% for deletion intervention, and ~20% drop in accuracy for negation intervention). We then propose an intervention-based training regime that can mitigate the undesirable effects for deletion intervention by a significant margin (from ~50% to ~6%). We analyze the inner-workings of the models to better understand the effectiveness of intervention-based training for deletion intervention. But we show that this training does not attenuate other aspects of semantic unfaithfulness such as the models' inability to deal with negation intervention or to capture the predicate-argument structure of texts. We also test InstructGPT, via prompting, for its ability to handle the two interventions and to capture predicate-argument structure. While InstructGPT models do achieve very high performance on predicate-argument structure task, they fail to respond adequately to our deletion and negation interventions.

Training a neural network requires choosing a suitable learning rate, involving a trade-off between speed and effectiveness of convergence. While there has been considerable theoretical and empirical analysis of how large the learning rate can be, most prior work focuses only on late-stage training. In this work, we introduce the maximal initial learning rate $\eta^{\ast}$ - the largest learning rate at which a randomly initialized neural network can successfully begin training and achieve (at least) a given threshold accuracy. Using a simple approach to estimate $\eta^{\ast}$, we observe that in constant-width fully-connected ReLU networks, $\eta^{\ast}$ demonstrates different behavior to the maximum learning rate later in training. Specifically, we find that $\eta^{\ast}$ is well predicted as a power of $(\text{depth} \times \text{width})$, provided that (i) the width of the network is sufficiently large compared to the depth, and (ii) the input layer of the network is trained at a relatively small learning rate. We further analyze the relationship between $\eta^{\ast}$ and the sharpness $\lambda_{1}$ of the network at initialization, indicating that they are closely though not inversely related. We formally prove bounds for $\lambda_{1}$ in terms of $(\text{depth} \times \text{width})$ that align with our empirical results.

Deep Neural Networks (DNN) are becoming increasingly more important in assisted and automated driving. Using such entities which are obtained using machine learning is inevitable: tasks such as recognizing traffic signs cannot be developed reasonably using traditional software development methods. DNN however do have the problem that they are mostly black boxes and therefore hard to understand and debug. One particular problem is that they are prone to hidden backdoors. This means that the DNN misclassifies its input, because it considers properties that should not be decisive for the output. Backdoors may either be introduced by malicious attackers or by inappropriate training. In any case, detecting and removing them is important in the automotive area, as they might lead to safety violations with potentially severe consequences. In this paper, we introduce a novel method to remove backdoors. Our method works for both intentional as well as unintentional backdoors. We also do not require prior knowledge about the shape or distribution of backdoors. Experimental evidence shows that our method performs well on several medium-sized examples.

Language models can be prompted to perform a wide variety of zero- and few-shot learning problems. However, performance varies significantly with the choice of prompt, and we do not yet understand why this happens or how to pick the best prompts. In this work, we analyze the factors that contribute to this variance and establish a new empirical hypothesis: the performance of a prompt is coupled with the extent to which the model is familiar with the language it contains. Over a wide range of tasks, we show that the lower the perplexity of the prompt is, the better the prompt is able to perform the task. As a result, we devise a method for creating prompts: (1) automatically extend a small seed set of manually written prompts by paraphrasing using GPT3 and backtranslation and (2) choose the lowest perplexity prompts to get significant gains in performance.