Posing high-contact interactions is challenging and time-consuming, with hand-object interactions being especially difficult due to the large number of degrees of freedom (DOF) of the hand and the fact that humans are experts at judging hand poses. This paper addresses this challenge by elevating contact areas to first-class primitives. We provide \textit{end-to-end art-directable} (EAD) tools to model interactions based on contact areas, directly manipulate contact areas, and compute corresponding poses automatically. To make these operations intuitive and fast, we present a novel axis-based contact model that supports real-time approximately isometry-preserving operations on triangulated surfaces, permits movement between surfaces, and is both robust and scalable to large areas. We show that use of our contact model facilitates high quality posing even for unconstrained, high-DOF custom rigs intended for traditional keyframe-based animation pipelines. We additionally evaluate our approach with comparisons to prior art, ablation studies, user studies, qualitative assessments, and extensions to full-body interaction.
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Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 18 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned and executed the syntheses of an insect repellent, three organocatalysts, and guided the discovery of a novel chromophore. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. Publicly available code can be found at //github.com/ur-whitelab/chemcrow-public
Real-world software applications must constantly evolve to remain relevant. This evolution occurs when developing new applications or adapting existing ones to meet new requirements, make corrections, or incorporate future functionality. Traditional methods of software quality control involve software quality models and continuous code inspection tools. These measures focus on directly assessing the quality of the software. However, there is a strong correlation and causation between the quality of the development process and the resulting software product. Therefore, improving the development process indirectly improves the software product, too. To achieve this, effective learning from past processes is necessary, often embraced through post mortem organizational learning. While qualitative evaluation of large artifacts is common, smaller quantitative changes captured by application lifecycle management are often overlooked. In addition to software metrics, these smaller changes can reveal complex phenomena related to project culture and management. Leveraging these changes can help detect and address such complex issues. Software evolution was previously measured by the size of changes, but the lack of consensus on a reliable and versatile quantification method prevents its use as a dependable metric. Different size classifications fail to reliably describe the nature of evolution. While application lifecycle management data is rich, identifying which artifacts can model detrimental managerial practices remains uncertain. Approaches such as simulation modeling, discrete events simulation, or Bayesian networks have only limited ability to exploit continuous-time process models of such phenomena. Even worse, the accessibility and mechanistic insight into such gray- or black-box models are typically very low. To address these challenges, we suggest leveraging objectively [...]
Complete reliance on the fitted model in response surface experiments is risky and relaxing this assumption, whether out of necessity or intentionally, requires an experimenter to account for multiple conflicting objectives. This work provides a methodological framework of a compound optimality criterion comprising elementary criteria responsible for: (i) the quality of the confidence region-based inference to be done using the fitted model (DP-/LP-optimality); (ii) improving the ability to test for the lack-of-fit from specified potential model contamination in the form of extra polynomial terms; and (iii) simultaneous minimisation of the variance and bias of the fitted model parameters arising from this misspecification. The latter two components have been newly developed in accordance with the model-independent 'pure error' approach to the error estimation. The compound criteria and design construction were adapted to restricted randomisation frameworks: blocked and multistratum experiments, where the stratum-by-stratum approach was adopted. A point-exchange algorithm was employed for searching for nearly optimal designs. The theoretical work is accompanied by one real and two illustrative examples to explore the relationship patterns among the individual components and characteristics of the optimal designs, demonstrating the attainable compromises across the competing objectives and driving some general practical recommendations.
Effectively specifying and implementing robotic missions pose a set of challenges to software engineering for robotic systems, since they require formalizing and executing a robot's high-level tasks while considering various application scenarios and conditions, also known as contexts, in real-world operational environments. Writing correct mission specifications that explicitly account for multiple contexts can be a tedious and error-prone task. Moreover, as the number of context, hence the specification, becomes more complex, generating a correct-by-construction implementation, e.g., by using synthesis methods, can become intractable. A viable approach to address these issues is to decompose the mission specification into smaller sub-missions, with each sub-mission corresponding to a specific context. However, such a compositional approach would still pose challenges in ensuring the overall mission correctness. In this paper, we propose a new, compositional framework for the specification and implementation of contextual robotic missions using assume-guarantee contracts. The mission specification is captured in a hierarchical and modular way and each sub-mission is synthesized as a robot controller. We address the problem of dynamically switching between sub-mission controllers while ensuring correctness under certain conditions.
As generative AI becomes more prevalent, it is important to study how human users interact with such models. In this work, we investigate how people use text-to-image models to generate desired target images. To study this interaction, we created ArtWhisperer, an online game where users are given a target image and are tasked with iteratively finding a prompt that creates a similar-looking image as the target. Through this game, we recorded over 50,000 human-AI interactions; each interaction corresponds to one text prompt created by a user and the corresponding generated image. The majority of these are repeated interactions where a user iterates to find the best prompt for their target image, making this a unique sequential dataset for studying human-AI collaborations. In an initial analysis of this dataset, we identify several characteristics of prompt interactions and user strategies. People submit diverse prompts and are able to discover a variety of text descriptions that generate similar images. Interestingly, prompt diversity does not decrease as users find better prompts. We further propose to a new metric the study the steerability of AI using our dataset. We define steerability as the expected number of interactions required to adequately complete a task. We estimate this value by fitting a Markov chain for each target task and calculating the expected time to reach an adequate score in the Markov chain. We quantify and compare AI steerability across different types of target images and two different models, finding that images of cities and natural world images are more steerable than artistic and fantasy images. These findings provide insights into human-AI interaction behavior, present a concrete method of assessing AI steerability, and demonstrate the general utility of the ArtWhisperer dataset.
Quantum subspace diagonalization methods are an exciting new class of algorithms for solving large\rev{-}scale eigenvalue problems using quantum computers. Unfortunately, these methods require the solution of an ill-conditioned generalized eigenvalue problem, with a matrix pair corrupted by a non-negligible amount of noise that is far above the machine precision. Despite pessimistic predictions from classical \rev{worst-case} perturbation theories, these methods can perform reliably well if the generalized eigenvalue problem is solved using a standard truncation strategy. By leveraging and advancing classical results in matrix perturbation theory, we provide a theoretical analysis of this surprising phenomenon, proving that under certain natural conditions, a quantum subspace diagonalization algorithm can accurately compute the smallest eigenvalue of a large Hermitian matrix. We give numerical experiments demonstrating the effectiveness of the theory and providing practical guidance for the choice of truncation level. Our new results can also be of independent interest to solving eigenvalue problems outside the context of quantum computation.
Since the cyberspace consolidated as fifth warfare dimension, the different actors of the defense sector began an arms race toward achieving cyber superiority, on which research, academic and industrial stakeholders contribute from a dual vision, mostly linked to a large and heterogeneous heritage of developments and adoption of civilian cybersecurity capabilities. In this context, augmenting the conscious of the context and warfare environment, risks and impacts of cyber threats on kinetic actuations became a critical rule-changer that military decision-makers are considering. A major challenge on acquiring mission-centric Cyber Situational Awareness (CSA) is the dynamic inference and assessment of the vertical propagations from situations that occurred at the mission supportive Information and Communications Technologies (ICT), up to their relevance at military tactical, operational and strategical views. In order to contribute on acquiring CSA, this paper addresses a major gap in the cyber defence state-of-the-art: the dynamic identification of Key Cyber Terrains (KCT) on a mission-centric context. Accordingly, the proposed KCT identification approach explores the dependency degrees among tasks and assets defined by commanders as part of the assessment criteria. These are correlated with the discoveries on the operational network and the asset vulnerabilities identified thorough the supported mission development. The proposal is presented as a reference model that reveals key aspects for mission-centric KCT analysis and supports its enforcement and further enforcement by including an illustrative application case.
Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.
This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.
The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.
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