Expert-level protocol translation for self-driving labs

Recent development in Artificial Intelligence (AI) models has propelled their application in scientific discovery, but the validation and exploration of these discoveries require subsequent empirical experimentation. The concept of self-driving laboratories promises to automate and thus boost the experimental process following AI-driven discoveries. However, the transition of experimental protocols, originally crafted for human comprehension, into formats interpretable by machines presents significant challenges, which, within the context of specific expert domain, encompass the necessity for structured as opposed to natural language, the imperative for explicit rather than tacit knowledge, and the preservation of causality and consistency throughout protocol steps. Presently, the task of protocol translation predominantly requires the manual and labor-intensive involvement of domain experts and information technology specialists, rendering the process time-intensive. To address these issues, we propose a framework that automates the protocol translation process through a three-stage workflow, which incrementally constructs Protocol Dependence Graphs (PDGs) that approach structured on the syntax level, completed on the semantics level, and linked on the execution level. Quantitative and qualitative evaluations have demonstrated its performance at par with that of human experts, underscoring its potential to significantly expedite and democratize the process of scientific discovery by elevating the automation capabilities within self-driving laboratories.

Abstract Hardware Grounding towards the Automated Design of Automation Systems

Crafting automation systems tailored for specific domains requires aligning the space of human experts' semantics with the space of robot executable actions, and scheduling the required resources and system layout accordingly. Regrettably, there are three major gaps, fine-grained domain-specific knowledge injection, heterogeneity between human knowledge and robot instructions, and diversity of users' preferences, resulting automation system design a case-by-case and labour-intensive effort, thus hindering the democratization of automation. We refer to this challenging alignment as the abstract hardware grounding problem, where we firstly regard the procedural operations in humans' semantics space as the abstraction of hardware requirements, then we ground such abstractions to instantiated hardware devices, subject to constraints and preferences in the real world -- optimizing this problem is essentially standardizing and automating the design of automation systems. On this basis, we develop an automated design framework in a hybrid data-driven and principle-derived fashion. Results on designing self-driving laboratories for enhancing experiment-driven scientific discovery suggest our framework's potential to produce compact systems that fully satisfy domain-specific and user-customized requirements with no redundancy.

An Illumination-Robust Feature Extractor Augmented by Relightable 3D Reconstruction

Visual features, whose description often relies on the local intensity and gradient direction, have found wide applications in robot navigation and localization in recent years. However, the extraction of visual features is usually disturbed by the variation of illumination conditions, making it challenging for real-world applications. Previous works have addressed this issue by establishing datasets with variations in illumination conditions, but can be costly and time-consuming. This paper proposes a design procedure for an illumination-robust feature extractor, where the recently developed relightable 3D reconstruction techniques are adopted for rapid and direct data generation with varying illumination conditions. A self-supervised framework is proposed for extracting features with advantages in repeatability for key points and similarity for descriptors across good and bad illumination conditions. Experiments are conducted to demonstrate the effectiveness of the proposed method for robust feature extraction. Ablation studies also indicate the effectiveness of the self-supervised framework design.

AutoDSL: Automated domain-specific language design for structural representation of procedures with constraints

Accurate representation of procedures in restricted scenarios, such as non-standardized scientific experiments, requires precise depiction of constraints. Unfortunately, Domain-specific Language (DSL), as an effective tool to express constraints structurally, often requires case-by-case hand-crafting, necessitating customized, labor-intensive efforts. To overcome this challenge, we introduce the AutoDSL framework to automate DSL-based constraint design across various domains. Utilizing domain specified experimental protocol corpora, AutoDSL optimizes syntactic constraints and abstracts semantic constraints. Quantitative and qualitative analyses of the DSLs designed by AutoDSL across five distinct domains highlight its potential as an auxiliary module for language models, aiming to improve procedural planning and execution.

Tac-Man: Tactile-Informed Prior-Free Manipulation of Articulated Objects

Integrating robotics into human-centric environments such as homes, necessitates advanced manipulation skills as robotic devices will need to engage with articulated objects like doors and drawers. Key challenges in robotic manipulation are the unpredictability and diversity of these objects' internal structures, which render models based on priors, both explicit and implicit, inadequate. Their reliability is significantly diminished by pre-interaction ambiguities, imperfect structural parameters, encounters with unknown objects, and unforeseen disturbances. Here, we present a prior-free strategy, Tac-Man, focusing on maintaining stable robot-object contact during manipulation. Utilizing tactile feedback, but independent of object priors, Tac-Man enables robots to proficiently handle a variety of articulated objects, including those with complex joints, even when influenced by unexpected disturbances. Demonstrated in both real-world experiments and extensive simulations, it consistently achieves near-perfect success in dynamic and varied settings, outperforming existing methods. Our results indicate that tactile sensing alone suffices for managing diverse articulated objects, offering greater robustness and generalization than prior-based approaches. This underscores the importance of detailed contact modeling in complex manipulation tasks, especially with articulated objects. Advancements in tactile sensors significantly expand the scope of robotic applications in human-centric environments, particularly where accurate models are difficult to obtain.

Crack-Net: Prediction of Crack Propagation in Composites

Computational solid mechanics has become an indispensable approach in engineering, and numerical investigation of fracture in composites is essential as composites are widely used in structural applications. Crack evolution in composites is the bridge to elucidate the relationship between the microstructure and fracture performance, but crack-based finite element methods are computationally expensive and time-consuming, limiting their application in computation-intensive scenarios. Here we propose a deep learning framework called Crack-Net, which incorporates the relationship between crack evolution and stress response to predict the fracture process in composites. Trained on a high-precision fracture development dataset generated using the phase field method, Crack-Net demonstrates a remarkable capability to accurately forecast the long-term evolution of crack growth patterns and the stress-strain curve for a given composite design. The Crack-Net captures the essential principle of crack growth, which enables it to handle more complex microstructures such as binary co-continuous structures. Moreover, transfer learning is adopted to further improve the generalization ability of Crack-Net for composite materials with reinforcements of different strengths. The proposed Crack-Net holds great promise for practical applications in engineering and materials science, in which accurate and efficient fracture prediction is crucial for optimizing material performance and microstructural design.

Deep ReLU Networks Have Surprisingly Simple Polytopes

A ReLU network is a piecewise linear function over polytopes. Figuring out the properties of such polytopes is of fundamental importance for the research and development of neural networks. So far, either theoretical or empirical studies on polytopes only stay at the level of counting their number, which is far from a complete characterization of polytopes. To upgrade the characterization to a new level, here we propose to study the shapes of polytopes via the number of simplices obtained by triangulating the polytope. Then, by computing and analyzing the histogram of simplices across polytopes, we find that a ReLU network has relatively simple polytopes under both initialization and gradient descent, although these polytopes theoretically can be rather diverse and complicated. This finding can be appreciated as a novel implicit bias. Next, we use nontrivial combinatorial derivation to theoretically explain why adding depth does not create a more complicated polytope by bounding the average number of faces of polytopes with a function of the dimensionality. Our results concretely reveal what kind of simple functions a network learns and its space partition property. Also, by characterizing the shape of polytopes, the number of simplices be a leverage for other problems, \textit{e.g.}, serving as a generic functional complexity measure to explain the power of popular shortcut networks such as ResNet and analyzing the impact of different regularization strategies on a network's space partition.

Cloud-RAIN: Point Cloud Analysis with Reflectional Invariance

The networks for point cloud tasks are expected to be invariant when the point clouds are affinely transformed such as rotation and reflection. So far, relative to the rotational invariance that has been attracting major research attention in the past years, the reflection invariance is little addressed. Notwithstanding, reflection symmetry can find itself in very common and important scenarios, e.g., static reflection symmetry of structured streets, dynamic reflection symmetry from bidirectional motion of moving objects (such as pedestrians), and left- and right-hand traffic practices in different countries. To the best of our knowledge, unfortunately, no reflection-invariant network has been reported in point cloud analysis till now. To fill this gap, we propose a framework by using quadratic neurons and PCA canonical representation, referred to as Cloud-RAIN, to endow point \underline{Cloud} models with \underline{R}eflection\underline{A}l \underline{IN}variance. We prove a theorem to explain why Cloud-RAIN can enjoy reflection symmetry. Furthermore, extensive experiments also corroborate the reflection property of the proposed Cloud-RAIN and show that Cloud-RAIN is superior to data augmentation. Our code is available at https://github.com/YimingCuiCuiCui/Cloud-RAIN.

Fault-tolerant Control of Over-actuated UAV Platform under Propeller Failure

Propeller failure is one major reason for the falling and crashing of multirotor Unmanned Aerial Vehicles (UAVs). While conventional multirotors can barely handle this issue due to underactuation, over-actuated platforms can still pursue the flight with proper fault-tolerant control (FTC). This paper investigates such a controller for one such over-actuated multirotor aerial platform composing quadcopters mounted on passive joints with input redundancy in both the high-level vehicle control and the low-level quadcopter control of vectored thrusts. To fully utilize the input redundancies of the whole platform under propeller failure, our proposed FTC controller has a hierarchical control architecture with three main components: (i) a low-level adjustment strategy to avoid propeller-level thrust saturation; (ii) a compensation loop to attenuate introduced disturbance; (iii) a nullspace-based control allocation framework to avoid quadcopter-level thrust saturation. Through reallocating actuator inputs in both the low-level and high-level control loops, the low-level quadcopter control can be maintained with at most two failed propellers and the whole platform can be stabilized without crashing. The proposed controller is extensively studied in both simulation and real-world experiments to demonstrate its superior performance.

One Neuron Saved Is One Neuron Earned: On Parametric Efficiency of Quadratic Networks

Inspired by neuronal diversity in the biological neural system, a plethora of studies proposed to design novel types of artificial neurons and introduce neuronal diversity into artificial neural networks. Recently proposed quadratic neuron, which replaces the inner-product operation in conventional neurons with a quadratic one, have achieved great success in many essential tasks. Despite the promising results of quadratic neurons, there is still an unresolved issue: \textit{Is the superior performance of quadratic networks simply due to the increased parameters or due to the intrinsic expressive capability?} Without clarifying this issue, the performance of quadratic networks is always suspicious. Additionally, resolving this issue is reduced to finding killer applications of quadratic networks. In this paper, with theoretical and empirical studies, we show that quadratic networks enjoy parametric efficiency, thereby confirming that the superior performance of quadratic networks is due to the intrinsic expressive capability. This intrinsic expressive ability comes from that quadratic neurons can easily represent nonlinear interaction, while it is hard for conventional neurons. Theoretically, we derive the approximation efficiency of the quadratic network over conventional ones in terms of real space and manifolds. Moreover, from the perspective of the Barron space, we demonstrate that there exists a functional space whose functions can be approximated by quadratic networks in a dimension-free error, but the approximation error of conventional networks is dependent on dimensions. Empirically, experimental results on synthetic data, classic benchmarks, and real-world applications show that quadratic models broadly enjoy parametric efficiency, and the gain of efficiency depends on the task.