Glioblastoma (GBM) remains the most aggressive tumor, urgently requiring novel therapeutic strategies. Here, we present a dry-to-wet framework combining generative modeling and experimental validation to optimize peptides targeting ATP5A, a potential peptide-binding protein for GBM. Our framework introduces the first lead-conditioned generative model, which focuses exploration on geometrically relevant regions around lead peptides and mitigates the combinatorial complexity of de novo methods. Specifically, we propose POTFlow, a \underline{P}rior and \underline{O}ptimal \underline{T}ransport-based \underline{Flow}-matching model for peptide optimization. POTFlow employs secondary structure information (e.g., helix, sheet, loop) as geometric constraints, which are further refined by optimal transport to produce shorter flow paths. With this design, our method achieves state-of-the-art performance compared with five popular approaches. When applied to GBM, our method generates peptides that selectively inhibit cell viability and significantly prolong survival in a patient-derived xenograft (PDX) model. As the first lead peptide-conditioned flow matching model, POTFlow holds strong potential as a generalizable framework for therapeutic peptide design.

The discovery of high-performance photosensitizers has long been hindered by the time-consuming and resource-intensive nature of traditional trial-and-error approaches. Here, we present \textbf{A}I-\textbf{A}ccelerated \textbf{P}hoto\textbf{S}ensitizer \textbf{I}nnovation (AAPSI), a closed-loop workflow that integrates expert knowledge, scaffold-based molecule generation, and Bayesian optimization to accelerate the design of novel photosensitizers. The scaffold-driven generation in AAPSI ensures structural novelty and synthetic feasibility, while the iterative AI-experiment loop accelerates the discovery of novel photosensitizers. AAPSI leverages a curated database of 102,534 photosensitizer-solvent pairs and generate 6,148 synthetically accessible candidates. These candidates are screened via graph transformers trained to predict singlet oxygen quantum yield ($ϕ_Δ$) and absorption maxima ($λ_{max}$), following experimental validation. This work generates several novel candidates for photodynamic therapy (PDT), among which the hypocrellin-based candidate HB4Ph exhibits exceptional performance at the Pareto frontier of high quantum yield of singlet oxygen and long absorption maxima among current photosensitizers ($ϕ_Δ$=0.85, $λ_{max}$=650nm).

Bolting operations are critical in industrial assembly and in the maintenance of scientific facilities, requiring high precision and robustness to faults. Although robotic solutions have the potential to improve operational safety and effectiveness, current systems still lack reliable autonomy and fault management capabilities. To address this gap, we propose a control framework for dependable robotized bolting tasks and instantiate it on a specific robotic system. The system features a control architecture ensuring accurate driving torque control and active compliance throughout the entire operation, enabling safe interaction even under fault conditions. By designing a multimodal human-robot interface (HRI) providing real-time visualization of relevant system information and supporting seamless transitions between automatic and manual control, we improve operator situation awareness and fault detection capabilities. A high-level supervisor (SV) coordinates the execution and manages transitions between control modes, ensuring consistency with the supervisory control (SVC) paradigm, while preserving the human operator's authority. The system is validated in a representative bolting operation involving pipe flange joining, under several fault conditions. The results demonstrate improved fault detection capabilities, enhanced operator situational awareness, and accurate and compliant execution of the bolting operation. However, they also reveal the limitations of relying on a single camera to achieve full situational awareness.

Abstract--A complete mechatronic design of a minimal configuration brachiation robot is presented. The robot consists of a single rigid rod with gripper mechanisms attached to both ends. The grippers are used to hang the robot on a horizontal bar on which it swings or rotates. The motion is imposed by repositioning the robot's center of mass, which is performed using a crank-slide mechanism. Based on a non-linear model, an optimal control strategy is proposed, for repositioning the center of mass in a bang-bang manner . Consequently, utilizing the concept of input-output linearization, a continuous control strategy is proposed that takes into account the limited torque of the crank-slide mechanism and its geometry. An increased attention is paid to energy accumulation towards the subsequent jump stage of the brachiation. These two strategies are validated and compared in simulations. The continuous control strategy is then also implemented within a low-cost STM32-based control system, and both the swing and rotation stages of the brachiation motion are experimentally validated. Brachiation is a form of motion used by primates to move from one branch to another.

Alloy discovery is central to advancing modern industry but remains hindered by the vastness of compositional design space and the costly validation. Here, we present AutoMAT, a hierarchical and autonomous framework grounded in and validated by experiments, which integrates large language models, automated CALPHAD-based simulations, and AI-driven search to accelerate alloy design. Spanning the entire pipeline from ideation to validation, AutoMAT achieves high efficiency, accuracy, and interpretability without the need for manually curated large datasets. In a case study targeting a lightweight, high-strength alloy, AutoMAT identifies a titanium alloy with 8.1% lower density and comparable yield strength relative to the state-of-the-art reference, achieving the highest specific strength among all comparisons. In a second case targeting high-yield-strength high-entropy alloys, AutoMAT achieves a 28.2% improvement in yield strength over the base alloy. In both cases, AutoMAT reduces the discovery timeline from years to weeks, illustrating its potential as a scalable and versatile platform for next-generation alloy design.

Two referees are very positive about this paper and recommend acceptance, whereas two referees lean towards rejection. All referees agree that primal-dual graph networks have not been previously investigated for mesh processing, but disagree on whether the contribution should be considered significant and/or incremental. The rebuttal attempts to address this concern by highlighting that primal-dual approaches have only been applied on generic graph benchmarks and further emphasizing that the application of such approaches to meshes is not straightforward and only constitutes one part of the proposed approach. R1 and R4 raised concerns about the experimental validation. The rebuttal only partially addressed their concerns, but after discussion, R4 is convinced that the experimental validation is compelling enough.

Machine learning (ML) has been extensively employed in planar perovskite photovoltaics to screen effective organic molecular additives, while encountering predictive biases for novel materials due to small datasets and reliance on predefined descriptors. Present work thus proposes an effective approach, Co-Pilot for Perovskite Additive Screener (Co-PAS), an ML-driven framework designed to accelerate additive screening for perovskite solar cells (PSCs). Co-PAS overcomes predictive biases by integrating the Molecular Scaffold Classifier (MSC) for scaffold-based pre-screening and utilizing Junction Tree Variational Autoencoder (JTVAE) latent vectors to enhance molecular structure representation, thereby enhancing the accuracy of power conversion efficiency (PCE) predictions. Leveraging Co-PAS, we integrate domain knowledge to screen an extensive dataset of 250,000 molecules from PubChem, prioritizing candidates based on predicted PCE values and key molecular properties such as donor number, dipole moment, and hydrogen bond acceptor count. This workflow leads to the identification of several promising passivating molecules, including the novel Boc-L-threonine N-hydroxysuccinimide ester (BTN), which, to our knowledge, has not been explored as an additive in PSCs and achieves a device PCE of 25.20%. Our results underscore the potential of Co-PAS in advancing additive discovery for high-performance PSCs.

With the goal of increasing the speed and efficiency in robotic manipulation, a control approach is presented that aims to utilize intentional simultaneous impacts to its advantage. This approach exploits the concept of the time-invariant reference spreading framework, in which partly-overlapping ante- and post-impact reference vector fields are used. These vector fields are coupled via an impact model in proximity of the expected impact area, minimizing the otherwise large impact-induced velocity errors and control efforts. We show how a nonsmooth physics engine can be used to construct this impact model for complex scenarios, which warrants applicability to a large range of possible impact states without requiring contact stiffness and damping parameters. In addition, a novel interim-impact control mode provides robustness in the execution against the inevitable lack of exact impact simultaneity and the corresponding unreliable velocity error during the time when contact is only partially established. This interim mode uses a position feedback signal that is derived from the ante-impact velocity reference to promote contact completion, and smoothly transitions into the post-impact mode. An experimental validation of time-invariant reference spreading control is presented for the first time through a set of 600 robotic hit-and-push and dual-arm grabbing experiments.

Landing a multirotor unmanned aerial vehicle (UAV) on an uncrewed surface vessel (USV) extends the operational range and offers recharging capabilities for maritime and limnology applications, such as search-and-rescue and environmental monitoring. However, autonomous UAV landings on USVs are challenging due to the unpredictable tilt and motion of the vessel caused by waves. This movement introduces spatial and temporal uncertainties, complicating safe, precise landings. Existing autonomous landing techniques on unmanned ground vehicles (UGVs) rely on shared state information, often causing time delays due to communication limits. This paper introduces a learning-based distributed Model Predictive Control (MPC) framework for autonomous UAV landings on USVs in wave-like conditions. Each vehicle's MPC optimizes for an artificial goal and input, sharing only the goal with the other vehicle. These goals are penalized by coupling and platform tilt costs, learned as a Gaussian Process (GP). We validate our framework in comprehensive indoor experiments using a custom-designed platform attached to a UGV to simulate USV tilting motion. Our approach achieves a 53% increase in landing success compared to an approach that neglects the impact of tilt motion on landing.

This paper presents a novel approach to automated drifting with a standard passenger vehicle, which involves a Nonlinear Model Predictive Control to stabilise and maintain the vehicle at high sideslip angle conditions. The proposed controller architecture is split into three components. The first part consists of the offline computed equilibrium maps, which provide the equilibrium points for each vehicle state given the desired sideslip angle and radius of the path. The second is the predictive controller minimising the errors between the equilibrium and actual vehicle states. The third is a path-following controller, which reduces the path error, altering the equilibrium curvature path. In a high-fidelity simulation environment, we validate the controller architecture capacity to stabilise the vehicle in automated drifting along a desired path, with a maximal lateral path deviation of 1 m. In the experiments with a standard passenger vehicle, we demonstrate that the proposed approach is capable of bringing and maintaining the vehicle at the desired 30 deg sideslip angle in both high and low friction conditions.