贝叶斯优化（Bayesopt）是查询有效连续优化的黄金标准。然而，决策变量的离散，高维质阻碍了其对药物设计的采用。我们开发了一种新方法（LAMBO），该方法通过判别性多任务高斯流程主管共同训练Denoising AutoCododer，从而使基于梯度的多目标采集功能优化了自动装编码器的潜在空间。这些采集功能使Lambo能够在多个设计回合上平衡探索探索折衷方案，并通过在Pareto边境上的许多不同地点优化序列来平衡客观权衡。我们在两个小分子设计任务上评估了兰博，并引入了优化\ emph {在硅}和\ emph {Inter {In Betro}特性的新任务。在我们的实验中，兰博的表现优于遗传优化者，并且不需要大量的预处理，表明贝叶诺斯对生物序列设计是实用且有效的。

知识蒸馏是一种培训小型学生网络的流行技术，以模仿更大的教师模型，例如网络的集合。我们表明，虽然知识蒸馏可以改善学生泛化，但它通常不得如此普遍地工作：虽然在教师和学生的预测分布之间，甚至在学生容量的情况下，通常仍然存在令人惊讶的差异完美地匹配老师。我们认为优化的困难是为什么学生无法与老师匹配的关键原因。我们还展示了用于蒸馏的数据集的细节如何在学生与老师匹配的紧密关系中发挥作用 - 以及教师矛盾的教师并不总是导致更好的学生泛化。

Recent advances in deep learning have enabled us to address the curse of dimensionality (COD) by solving problems in higher dimensions. A subset of such approaches of addressing the COD has led us to solving high-dimensional PDEs. This has resulted in opening doors to solving a variety of real-world problems ranging from mathematical finance to stochastic control for industrial applications. Although feasible, these deep learning methods are still constrained by training time and memory. Tackling these shortcomings, Tensor Neural Networks (TNN) demonstrate that they can provide significant parameter savings while attaining the same accuracy as compared to the classical Dense Neural Network (DNN). In addition, we also show how TNN can be trained faster than DNN for the same accuracy. Besides TNN, we also introduce Tensor Network Initializer (TNN Init), a weight initialization scheme that leads to faster convergence with smaller variance for an equivalent parameter count as compared to a DNN. We benchmark TNN and TNN Init by applying them to solve the parabolic PDE associated with the Heston model, which is widely used in financial pricing theory.

Managing novelty in perception-based human activity recognition (HAR) is critical in realistic settings to improve task performance over time and ensure solution generalization outside of prior seen samples. Novelty manifests in HAR as unseen samples, activities, objects, environments, and sensor changes, among other ways. Novelty may be task-relevant, such as a new class or new features, or task-irrelevant resulting in nuisance novelty, such as never before seen noise, blur, or distorted video recordings. To perform HAR optimally, algorithmic solutions must be tolerant to nuisance novelty, and learn over time in the face of novelty. This paper 1) formalizes the definition of novelty in HAR building upon the prior definition of novelty in classification tasks, 2) proposes an incremental open world learning (OWL) protocol and applies it to the Kinetics datasets to generate a new benchmark KOWL-718, 3) analyzes the performance of current state-of-the-art HAR models when novelty is introduced over time, 4) provides a containerized and packaged pipeline for reproducing the OWL protocol and for modifying for any future updates to Kinetics. The experimental analysis includes an ablation study of how the different models perform under various conditions as annotated by Kinetics-AVA. The protocol as an algorithm for reproducing experiments using the KOWL-718 benchmark will be publicly released with code and containers at https://github.com/prijatelj/human-activity-recognition-in-an-open-world. The code may be used to analyze different annotations and subsets of the Kinetics datasets in an incremental open world fashion, as well as be extended as further updates to Kinetics are released.

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.

Naturally-occurring information-seeking questions often contain questionable assumptions -- assumptions that are false or unverifiable. Questions containing questionable assumptions are challenging because they require a distinct answer strategy that deviates from typical answers to information-seeking questions. For instance, the question "When did Marie Curie discover Uranium?" cannot be answered as a typical when question without addressing the false assumption "Marie Curie discovered Uranium". In this work, we propose (QA)$^2$ (Question Answering with Questionable Assumptions), an open-domain evaluation dataset consisting of naturally-occurring search engine queries that may or may not contain questionable assumptions. To be successful on (QA)$^2$, systems must be able to detect questionable assumptions and also be able to produce adequate responses for both typical information-seeking questions and ones with questionable assumptions. We find that current models do struggle with handling questionable assumptions -- the best performing model achieves 59% human rater acceptability on abstractive QA with (QA)$^2$ questions, leaving substantial headroom for progress.

We propose Panoptic Lifting, a novel approach for learning panoptic 3D volumetric representations from images of in-the-wild scenes. Once trained, our model can render color images together with 3D-consistent panoptic segmentation from novel viewpoints. Unlike existing approaches which use 3D input directly or indirectly, our method requires only machine-generated 2D panoptic segmentation masks inferred from a pre-trained network. Our core contribution is a panoptic lifting scheme based on a neural field representation that generates a unified and multi-view consistent, 3D panoptic representation of the scene. To account for inconsistencies of 2D instance identifiers across views, we solve a linear assignment with a cost based on the model's current predictions and the machine-generated segmentation masks, thus enabling us to lift 2D instances to 3D in a consistent way. We further propose and ablate contributions that make our method more robust to noisy, machine-generated labels, including test-time augmentations for confidence estimates, segment consistency loss, bounded segmentation fields, and gradient stopping. Experimental results validate our approach on the challenging Hypersim, Replica, and ScanNet datasets, improving by 8.4, 13.8, and 10.6% in scene-level PQ over state of the art.

We present NusaCrowd, a collaborative initiative to collect and unite existing resources for Indonesian languages, including opening access to previously non-public resources. Through this initiative, we have has brought together 137 datasets and 117 standardized data loaders. The quality of the datasets has been assessed manually and automatically, and their effectiveness has been demonstrated in multiple experiments. NusaCrowd's data collection enables the creation of the first zero-shot benchmarks for natural language understanding and generation in Indonesian and its local languages. Furthermore, NusaCrowd brings the creation of the first multilingual automatic speech recognition benchmark in Indonesian and its local languages. Our work is intended to help advance natural language processing research in under-represented languages.

As language models (LMs) scale, they develop many novel behaviors, good and bad, exacerbating the need to evaluate how they behave. Prior work creates evaluations with crowdwork (which is time-consuming and expensive) or existing data sources (which are not always available). Here, we automatically generate evaluations with LMs. We explore approaches with varying amounts of human effort, from instructing LMs to write yes/no questions to making complex Winogender schemas with multiple stages of LM-based generation and filtering. Crowdworkers rate the examples as highly relevant and agree with 90-100% of labels, sometimes more so than corresponding human-written datasets. We generate 154 datasets and discover new cases of inverse scaling where LMs get worse with size. Larger LMs repeat back a dialog user's preferred answer ("sycophancy") and express greater desire to pursue concerning goals like resource acquisition and goal preservation. We also find some of the first examples of inverse scaling in RL from Human Feedback (RLHF), where more RLHF makes LMs worse. For example, RLHF makes LMs express stronger political views (on gun rights and immigration) and a greater desire to avoid shut down. Overall, LM-written evaluations are high-quality and let us quickly discover many novel LM behaviors.

The automated synthesis of correct-by-construction Boolean functions from logical specifications is known as the Boolean Functional Synthesis (BFS) problem. BFS has many application areas that range from software engineering to circuit design. In this paper, we introduce a tool BNSynth, that is the first to solve the BFS problem under a given bound on the solution space. Bounding the solution space induces the synthesis of smaller functions that benefit resource constrained areas such as circuit design. BNSynth uses a counter-example guided, neural approach to solve the bounded BFS problem. Initial results show promise in synthesizing smaller solutions; we observe at least \textbf{3.2X} (and up to \textbf{24X}) improvement in the reduction of solution size on average, as compared to state of the art tools on our benchmarks. BNSynth is available on GitHub under an open source license.