Assembly hinges on reliably forming connections between parts; yet most robotic approaches plan assembly sequences and part poses while treating connectors as an afterthought. Connections represent the critical "last mile" of assembly execution, while task planning may sequence operations and motion plan may position parts, the precise establishment of physical connections ultimately determines assembly success or failure. In this paper, we consider connections as first-class primitives in assembly representation, including connector types, specifications, quantities, and placement locations. Drawing inspiration from how humans learn assembly tasks through step-by-step instruction manuals, we present Manual2Skill++, a vision-language framework that automatically extracts structured connection information from assembly manuals. We encode assembly tasks as hierarchical graphs where nodes represent parts and sub-assemblies, and edges explicitly model connection relationships between components. A large-scale vision-language model parses symbolic diagrams and annotations in manuals to instantiate these graphs, leveraging the rich connection knowledge embedded in human-designed instructions. We curate a dataset containing over 20 assembly tasks with diverse connector types to validate our representation extraction approach, and evaluate the complete task understanding-to-execution pipeline across four complex assembly scenarios in simulation, spanning furniture, toys, and manufacturing components with real-world correspondence.

Computational models are critical to advance our understanding of how neural, biomechanical, and physical systems interact to orchestrate animal behaviors. Despite the availability of near-complete reconstructions of the Drosophila melanogaster central nervous system, musculature, and exoskeleton, anatomically and physically grounded models of fly leg muscles are still missing. These models provide an indispensable bridge between motor neuron activity and joint movements. Here, we introduce the first 3D, data-driven musculoskeletal model of Drosophila legs, implemented in both OpenSim and MuJoCo simulation environments. Our model incorporates a Hill-type muscle representation based on high-resolution X-ray scans from multiple fixed specimens. We present a pipeline for constructing muscle models using morphological imaging data and for optimizing unknown muscle parameters specific to the fly. We then combine our musculoskeletal models with detailed 3D pose estimation data from behaving flies to achieve muscle-actuated behavioral replay in OpenSim. Simulations of muscle activity across diverse walking and grooming behaviors predict coordinated muscle synergies that can be tested experimentally. Furthermore, by training imitation learning policies in MuJoCo, we test the effect of different passive joint properties on learning speed and find that damping and stiffness facilitate learning. Overall, our model enables the investigation of motor control in an experimentally tractable model organism, providing insights into how biomechanics contribute to generation of complex limb movements. Moreover, our model can be used to control embodied artificial agents to generate naturalistic and compliant locomotion in simulated environments.

Molecular property prediction is a crucial task that guides the design of new compounds, including drugs and materials. While explainable artificial intelligence methods aim to scrutinize model predictions by identifying influential molecular substructures, many existing approaches rely on masking strategies that remove either atoms or atom-level features to assess importance via fidelity metrics. These methods, however, often fail to adhere to the underlying molecular distribution and thus yield unintuitive explanations. In this work, we propose counterfactual masking, a novel framework that replaces masked substructures with chemically reasonable fragments sampled from generative models trained to complete molecular graphs. Rather than evaluating masked predictions against implausible zeroed-out baselines, we assess them relative to counterfactual molecules drawn from the data distribution. Our method offers two key benefits: (1) molecular realism underpinning robust and distribution-consistent explanations, and (2) meaningful counterfactuals that directly indicate how structural modifications may affect predicted properties. We demonstrate that counterfactual masking is well-suited for benchmarking model explainers and yields more actionable insights across multiple datasets and property prediction tasks.

Foundation models are pre-trained on large-scale datasets and subsequently fine-tuned on small-scale datasets using parameter-efficient fine-tuning (PEFT) techniques like low-rank adapters (LoRA). In most previous works, LoRA weight matrices are randomly initialized with a fixed rank across all attachment points. In this paper, we improve convergence and final performance of LoRA fine-tuning, using our proposed data-driven weight initialization method, ConsNoTrainLoRA (CNTLoRA). We express LoRA initialization as a domain shift problem where we use multiple constraints relating the pre-training and fine-tuning activations. By reformulating these constraints, we obtain a closed-form estimate of LoRA weights that depends on pre-training weights and fine-tuning activation vectors and hence requires no training during initialization. This weight estimate is decomposed to initialize the up and down matrices with proposed flexibility of variable ranks. With the proposed initialization method, we fine-tune on downstream tasks such as image generation, image classification and image understanding. Both quantitative and qualitative results demonstrate that CNTLoRA outperforms standard and data-driven weight initialization methods. Extensive analyses and ablations further elucidate the design choices of our framework, providing an optimal recipe for faster convergence and enhanced performance.

This paper presents a unified framework to analyze the manipulability and compliance of modular soft-rigid hybrid robotic fingers. The approach applies to both hydraulic and pneumatic actuation systems. A Jacobian-based formulation maps actuator inputs to joint and task-space responses. Hydraulic actuators are modeled under incompressible assumptions, while pneumatic actuators are described using nonlinear pressure-volume relations. The framework enables consistent evaluation of manipulability ellipsoids and compliance matrices across actuation modes. We validate the analysis using two representative hands: DexCo (hydraulic) and Edgy-2 (pneumatic). Results highlight actuation-dependent trade-offs in dexterity and passive stiffness. These findings provide insights for structure-aware design and actuator selection in soft-rigid robotic fingers.

Generative Flow Networks (GFlowNets) offer a powerful framework for sampling graphs in proportion to their rewards. However, existing approaches suffer from systematic biases due to inaccuracies in state transition probability computations. These biases, rooted in the inherent symmetries of graphs, impact both atom-based and fragment-based generation schemes. To address this challenge, we introduce Symmetry-Aware GFlowNets (SA-GFN), a method that incorporates symmetry corrections into the learning process through reward scaling. By integrating bias correction directly into the reward structure, SA-GFN eliminates the need for explicit state transition computations. Empirical results show that SA-GFN enables unbiased sampling while enhancing diversity and consistently generating high-reward graphs that closely match the target distribution.

Generating molecules with desired chemical properties presents a critical challenge in fields such as chemical synthesis and drug discovery. Recent advancements in artificial intelligence (AI) and deep learning have significantly contributed to data-driven molecular generation. However, challenges persist due to the inherent sensitivity of simplified molecular input line entry system (SMILES) representations and the difficulties in applying generative adversarial networks (GANs) to discrete data. This study introduces RL-MolGAN, a novel Transformer-based discrete GAN framework designed to address these challenges. Unlike traditional Transformer architectures, RL-MolGAN utilizes a first-decoder-then-encoder structure, facilitating the generation of drug-like molecules from both $de~novo$ and scaffold-based designs. In addition, RL-MolGAN integrates reinforcement learning (RL) and Monte Carlo tree search (MCTS) techniques to enhance the stability of GAN training and optimize the chemical properties of the generated molecules. To further improve the model's performance, RL-MolWGAN, an extension of RL-MolGAN, incorporates Wasserstein distance and mini-batch discrimination, which together enhance the stability of the GAN. Experimental results on two widely used molecular datasets, QM9 and ZINC, validate the effectiveness of our models in generating high-quality molecular structures with diverse and desirable chemical properties.

Multirotor UAVs have been typically considered for aerial manipulation, but their scarce endurance prevents long-lasting manipulation tasks. This work demonstrates that the non-stop flights of three or more carriers are compatible with holding a constant pose of a cable-suspended load, thus potentially enabling aerial manipulation with energy-efficient non-stop carriers. It also presents an algorithm for generating the coordinated non-stop trajectories. The proposed method builds upon two pillars: (1)~the choice of $n$ special linearly independent directions of internal forces within the $3n-6$-dimensional nullspace of the grasp matrix of the load, chosen as the edges of a Hamiltonian cycle on the graph that connects the cable attachment points on the load. Adjacent pairs of directions are used to generate $n$ forces evolving on distinct 2D affine subspaces, despite the attachment points being generically in 3D; (2)~the construction of elliptical trajectories within these subspaces by mapping, through appropriate graph coloring, each edge of the Hamiltonian cycle to a periodic coordinate while ensuring that no adjacent coordinates exhibit simultaneous zero derivatives. Combined with conditions for load statics and attachment point positions, these choices ensure that each of the $n$ force trajectories projects onto the corresponding cable constraint sphere with non-zero tangential velocity, enabling perpetual motion of the carriers while the load is still. The theoretical findings are validated through simulations and laboratory experiments with non-stopping multirotor UAVs.

Deep generative models for molecular discovery have become a very popular choice in new high-throughput screening paradigms. These models have been developed inheriting from the advances in natural language processing and computer vision, achieving ever greater results. However, generative molecular modelling has unique challenges that are often overlooked. Chemical validity, interpretability of the generation process and flexibility to variable molecular sizes are among some of the remaining challenges for generative models in computational materials design. In this work, we propose an autoregressive approach that decomposes molecular generation into a sequence of discrete and interpretable steps using molecular fragments as units, a 'molecular story'. Enforcing chemical rules in the stories guarantees the chemical validity of the generated molecules, the discrete sequential steps of a molecular story makes the process transparent improving interpretability, and the autoregressive nature of the approach allows the size of the molecule to be a decision of the model. We demonstrate the validity of the approach in a multi-target inverse design of electroactive organic compounds, focusing on the target properties of solubility, redox potential, and synthetic accessibility. Our results show that the model can effectively bias the generation distribution according to the prompted multi-target objective.

Training robot policies in simulation is becoming increasingly popular; nevertheless, a precise, reliable, and easy-to-use tactile simulator for contact-rich manipulation tasks is still missing. To close this gap, we develop TacEx -- a modular tactile simulation framework. We embed a state-of-the-art soft-body simulator for contacts named GIPC and vision-based tactile simulators Taxim and FOTS into Isaac Sim to achieve robust and plausible simulation of the visuotactile sensor GelSight Mini. We implement several Isaac Lab environments for Reinforcement Learning (RL) leveraging our TacEx simulation, including object pushing, lifting, and pole balancing. We validate that the simulation is stable and that the high-dimensional observations, such as the gel deformation and the RGB images from the GelSight camera, can be used for training. The code, videos, and additional results will be released online https://sites.google.com/view/tacex.