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Relaxed Sequence Sampling for Diverse Protein Design

arXiv.org Artificial Intelligence

Protein design using structure prediction models such as AlphaFold2 has shown remarkable success, but existing approaches like relaxed sequence optimization (RSO) rely on single-path gradient descent and ignore sequence-space constraints, limiting diversity and designability. We introduce Relaxed Sequence Sampling (RSS), a Markov chain Monte Carlo (MCMC) framework that integrates structural and evolutionary information for protein design. RSS operates in continuous logit space, combining gradient-guided exploration with protein language model-informed jumps. Its energy function couples AlphaFold2-derived structural objectives with ESM2-derived sequence priors, balancing accuracy and biological plausibility. In an in silico protein binder design task, RSS produces 5$\times$ more designable structures and 2-3$\times$ greater structural diversity than RSO baselines, at equal computational cost. These results highlight RSS as a principled approach for efficiently exploring the protein design landscape.



ORSO: Accelerating Reward Design via Online Reward Selection and Policy Optimization

arXiv.org Artificial Intelligence

Reward shaping is a critical component in reinforcement learning (RL), particularly for complex tasks where sparse rewards can hinder learning. While shaping rewards have been introduced to provide additional guidance, selecting effective shaping functions remains challenging and computationally expensive. This paper introduces Online Reward Selection and Policy Optimization (ORSO), a novel approach that frames shaping reward selection as an online model selection problem. ORSO employs principled exploration strategies to automatically identify promising shaping reward functions without human intervention, balancing exploration and exploitation with provable regret guarantees. We demonstrate ORSO's effectiveness across various continuous control tasks using the Isaac Gym simulator. Compared to traditional methods that fully evaluate each shaping reward function, ORSO significantly improves sample efficiency, reduces computational time, and consistently identifies high-quality reward functions that produce policies comparable to those generated by domain experts through hand-engineered rewards.


On-chain Validation of Tracking Data Messages (TDM) Using Distributed Deep Learning on a Proof of Stake (PoS) Blockchain

arXiv.org Artificial Intelligence

Trustless tracking of Resident Space Objects (RSOs) is crucial for Space Situational Awareness (SSA), especially during adverse situations. The importance of transparent SSA cannot be overstated, as it is vital for ensuring space safety and security. In an era where RSO location information can be easily manipulated, the risk of RSOs being used as weapons is a growing concern. The Tracking Data Message (TDM) is a standardized format for broadcasting RSO observations. However, the varying quality of observations from diverse sensors poses challenges to SSA reliability. While many countries operate space assets, relatively few have SSA capabilities, making it crucial to ensure the accuracy and reliability of the data. Current practices assume complete trust in the transmitting party, leaving SSA capabilities vulnerable to adversarial actions such as spoofing TDMs. This work introduces a trustless mechanism for TDM validation and verification using deep learning over blockchain. By leveraging the trustless nature of blockchain, our approach eliminates the need for a central authority, establishing consensus-based truth. We propose a state-of-the-art, transformer-based orbit propagator that outperforms traditional methods like SGP4, enabling cross-validation of multiple observations for a single RSO. This deep learning-based transformer model can be distributed over a blockchain, allowing interested parties to host a node that contains a part of the distributed deep learning model. Our system comprises decentralised observers and validators within a Proof of Stake (PoS) blockchain. Observers contribute TDM data along with a stake to ensure honesty, while validators run the propagation and validation algorithms. The system rewards observers for contributing verified TDMs and penalizes those submitting unverifiable data.


Characterizing Satellite Geometry via Accelerated 3D Gaussian Splatting

arXiv.org Artificial Intelligence

The accelerating deployment of spacecraft in orbit have generated interest in on-orbit servicing (OOS), inspection of spacecraft, and active debris removal (ADR). Such missions require precise rendezvous and proximity operations in the vicinity of non-cooperative, possible unknown, resident space objects. Safety concerns with manned missions and lag times with ground-based control necessitate complete autonomy. This requires robust characterization of the target's geometry. In this article, we present an approach for mapping geometries of satellites on orbit based on 3D Gaussian Splatting that can run on computing resources available on current spaceflight hardware. We demonstrate model training and 3D rendering performance on a hardware-in-the-loop satellite mock-up under several realistic lighting and motion conditions. Our model is shown to be capable of training on-board and rendering higher quality novel views of an unknown satellite nearly 2 orders of magnitude faster than previous NeRF-based algorithms. Such on-board capabilities are critical to enable downstream machine intelligence tasks necessary for autonomous guidance, navigation, and control tasks.


Taxonomy for Resident Space Objects in LEO: A Deep Learning Approach

arXiv.org Artificial Intelligence

The increasing number of RSOs has raised concerns about the risk of collisions and catastrophic incidents for all direct and indirect users of space. To mitigate this issue, it is essential to have a good understanding of the various RSOs in orbit and their behaviour. A well-established taxonomy defining several classes of RSOs is a critical step in achieving this understanding. This taxonomy helps assign objects to specific categories based on their main characteristics, leading to better tracking services. Furthermore, a well-established taxonomy can facilitate research and analysis processes by providing a common language and framework for better understanding the factors that influence RSO behaviour in space. These factors, in turn, help design more efficient and effective strategies for space traffic management. Our work proposes a new taxonomy for RSOs focusing on the low Earth orbit regime to enhance space traffic management. In addition, we present a deep learning-based model that uses an autoencoder architecture to reduce the features representing the characteristics of the RSOs. The autoencoder generates a lower-dimensional space representation that is then explored using techniques such as Uniform Manifold Approximation and Projection to identify fundamental clusters of RSOs based on their unique characteristics. This approach captures the complex and non-linear relationships between the features and the RSOs' classes identified. Our proposed taxonomy and model offer a significant contribution to the ongoing efforts to mitigate the overall risks posed by the increasing number of RSOs in orbit.


Astronomia ex machina: a history, primer, and outlook on neural networks in astronomy

arXiv.org Artificial Intelligence

In this review, we explore the historical development and future prospects of artificial intelligence (AI) and deep learning in astronomy. We trace the evolution of connectionism in astronomy through its three waves, from the early use of multilayer perceptrons, to the rise of convolutional and recurrent neural networks, and finally to the current era of unsupervised and generative deep learning methods. With the exponential growth of astronomical data, deep learning techniques offer an unprecedented opportunity to uncover valuable insights and tackle previously intractable problems. As we enter the anticipated fourth wave of astronomical connectionism, we argue for the adoption of GPT-like foundation models fine-tuned for astronomical applications. Such models could harness the wealth of high-quality, multimodal astronomical data to serve state-of-the-art downstream tasks. To keep pace with advancements driven by Big Tech, we propose a collaborative, open-source approach within the astronomy community to develop and maintain these foundation models, fostering a symbiotic relationship between AI and astronomy that capitalizes on the unique strengths of both fields.


Quasi Real-Time Autonomous Satellite Detection and Orbit Estimation

arXiv.org Artificial Intelligence

A method of near real-time detection and tracking of resident space objects (RSOs) using a convolutional neural network (CNN) and linear quadratic estimator (LQE) is proposed. Advances in machine learning architecture allow the use of low-power/cost embedded devices to perform complex classification tasks. In order to reduce the costs of tracking systems, a low-cost embedded device will be used to run a CNN detection model for RSOs in unresolved images captured by a gray-scale camera and small telescope. Detection results computed in near real-time are then passed to an LQE to compute tracking updates for the telescope mount, resulting in a fully autonomous method of optical RSO detection and tracking. Keywords: Space Domain Awareness, Neural Networks, Real-Time, Object Detection, Embedded Systems.


Autonomous Rendezvous with Non-cooperative Target Objects with Swarm Chasers and Observers

arXiv.org Artificial Intelligence

Space debris is on the rise due to the increasing demand for spacecraft for com-munication, navigation, and other applications. The Space Surveillance Network (SSN) tracks over 27,000 large pieces of debris and estimates the number of small, un-trackable fragments at over 1,00,000. To control the growth of debris, the for-mation of further debris must be reduced. Some solutions include deorbiting larger non-cooperative resident space objects (RSOs) or servicing satellites in or-bit. Both require rendezvous with RSOs, and the scale of the problem calls for autonomous missions. This paper introduces the Multipurpose Autonomous Ren-dezvous Vision-Integrated Navigation system (MARVIN) developed and tested at the ORION Facility at Florida Institution of Technology. MARVIN consists of two sub-systems: a machine vision-aided navigation system and an artificial po-tential field (APF) guidance algorithm which work together to command a swarm of chasers to safely rendezvous with the RSO. We present the MARVIN architec-ture and hardware-in-the-loop experiments demonstrating autonomous, collabo-rative swarm satellite operations successfully guiding three drones to rendezvous with a physical mockup of a non-cooperative satellite in motion.