This paper presents the ShanghaiTech Mapping Robot, a state-of-the-art unmanned ground vehicle (UGV) designed for collecting comprehensive multi-sensor datasets to support research in robotics, computer vision, and autonomous driving. The robot is equipped with a wide array of sensors including RGB cameras, RGB-D cameras, event-based cameras, IR cameras, LiDARs, mmWave radars, IMUs, ultrasonic range finders, and a GNSS RTK receiver. The sensor suite is integrated onto a specially designed mechanical structure with a centralized power system and a synchronization mechanism to ensure spatial and temporal alignment of the sensor data. A 16-node on-board computing cluster handles sensor control, data collection, and storage. We describe the hardware and software architecture of the robot in detail and discuss the calibration procedures for the various sensors. The capabilities of the platform are demonstrated through an extensive dataset collected in diverse real-world environments. To facilitate research, we make the dataset publicly available along with the associated robot sensor calibration data. Performance evaluations on a set of standard perception and localization tasks showcase the potential of the dataset to support developments in Robot Autonomy.

Neutron-Transformer Reflectometry and Advanced Computation Engine (N-TRACE ), a neural network model using transformer architecture, is introduced for neutron reflectometry data analysis. It offers fast, accurate initial parameter estimations and efficient refinements, improving efficiency and precision for real-time data analysis of lithium-mediated nitrogen reduction for electrochemical ammonia synthesis, with relevance to other chemical transformations and batteries. Despite limitations in generalizing across systems, it shows promises for the use of transformers as the basis for models that could replace trial-and-error approaches to modeling reflectometry data.

Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such as invariance and equivariance to coordinate rotation and translation. While numerous deep learning approaches have been developed to learn molecular representations under these constraints, most of them are built upon heuristic and costly modules. We argue that there is a strong need for a general and flexible framework for learning both invariant and equivariant features. In this work, we introduce a novel Transformer-based molecular model called GeoMFormer to achieve this goal. Using the standard Transformer modules, two separate streams are developed to maintain and learn invariant and equivariant representations. Carefully designed cross-attention modules bridge the two streams, allowing information fusion and enhancing geometric modeling in each stream. As a general and flexible architecture, we show that many previous architectures can be viewed as special instantiations of GeoMFormer. Extensive experiments are conducted to demonstrate the power of GeoMFormer. All empirical results show that GeoMFormer achieves strong performance on both invariant and equivariant tasks of different types and scales. Code and models will be made publicly available at https://github.com/c-tl/GeoMFormer.

Combinatorial Optimization is crucial to numerous real-world applications, yet still presents challenges due to its (NP-)hard nature. Amongst existing approaches, heuristics often offer the best trade-off between quality and scalability, making them suitable for industrial use. While Reinforcement Learning (RL) offers a flexible framework for designing heuristics, its adoption over handcrafted heuristics remains incomplete within industrial solvers. Existing learned methods still lack the ability to adapt to specific instances and fully leverage the available computational budget. The current best methods either rely on a collection of pre-trained policies, or on data-inefficient fine-tuning; hence failing to fully utilize newly available information within the constraints of the budget. In response, we present MEMENTO, an RL approach that leverages memory to improve the adaptation of neural solvers at inference time. MEMENTO enables updating the action distribution dynamically based on the outcome of previous decisions. We validate its effectiveness on benchmark problems, in particular Traveling Salesman and Capacitated Vehicle Routing, demonstrating it can successfully be combined with standard methods to boost their performance under a given budget, both in and out-of-distribution, improving their performance on all 12 evaluated tasks.

Achieving global space-air-ground integrated network (SAGIN) access only with CubeSats presents significant challenges such as the access sustainability limitations in specific regions (e.g., polar regions) and the energy efficiency limitations in CubeSats. To tackle these problems, high-altitude long-endurance unmanned aerial vehicles (HALE-UAVs) can complement these CubeSat shortcomings for providing cooperatively global access sustainability and energy efficiency. However, as the number of CubeSats and HALE-UAVs, increases, the scheduling dimension of each ground station (GS) increases. As a result, each GS can fall into the curse of dimensionality, and this challenge becomes one major hurdle for efficient global access. Therefore, this paper provides a quantum multi-agent reinforcement Learning (QMARL)-based method for scheduling between GSs and CubeSats/HALE-UAVs in order to improve global access availability and energy efficiency. The main reason why the QMARL-based scheduler can be beneficial is that the algorithm facilitates a logarithmic-scale reduction in scheduling action dimensions, which is one critical feature as the number of CubeSats and HALE-UAVs expands. Additionally, individual GSs have different traffic demands depending on their locations and characteristics, thus it is essential to provide differentiated access services. The superiority of the proposed scheduler is validated through data-intensive experiments in realistic CubeSat/HALE-UAV settings.

Understanding and quantifying ecosystem services are crucial for sustainable environmental management, conservation efforts, and policy-making. The advancement of remote sensing technology and machine learning techniques has greatly facilitated this process. Yet, ground truth labels, such as biodiversity, are very difficult and expensive to measure. In addition, more easily obtainable proxy labels, such as land use, often fail to capture the complex heterogeneity of the ecosystem. In this paper, we demonstrate how land use proxy labels can be implemented with a soft, multi-label classifier to predict ecosystem services with complex heterogeneity.

Conformal prediction offers a practical framework for distribution-free uncertainty quantification, providing finite-sample coverage guarantees under relatively mild assumptions on data exchangeability. However, these assumptions cease to hold for time series due to their temporally correlated nature. In this work, we present a novel use of conformal prediction for time series forecasting that incorporates time series decomposition. This approach allows us to model different temporal components individually. By applying specific conformal algorithms to each component and then merging the obtained prediction intervals, we customize our methods to account for the different exchangeability regimes underlying each component. Our decomposition-based approach is thoroughly discussed and empirically evaluated on synthetic and real-world data. We find that the method provides promising results on well-structured time series, but can be limited by factors such as the decomposition step for more complex data.

Accurate demand forecasting is crucial for optimizing supply chain management. Traditional methods often fail to capture complex patterns from seasonal variability and special events. Despite advancements in deep learning, interpretable forecasting models remain a challenge. To address this, we introduce the Multi-Channel Data Fusion Network (MCDFN), a hybrid architecture that integrates Convolutional Neural Networks (CNN), Long Short-Term Memory networks (LSTM), and Gated Recurrent Units (GRU) to enhance predictive performance by extracting spatial and temporal features from time series data. Our rigorous benchmarking demonstrates that MCDFN outperforms seven other deep-learning models, achieving superior metrics: MSE (23.5738%), RMSE (4.8553%), MAE (3.9991%), and MAPE (20.1575%). Additionally, MCDFN's predictions were statistically indistinguishable from actual values, confirmed by a paired t-test with a 5% p-value and a 10-fold cross-validated statistical paired t-test. We apply explainable AI techniques like ShapTime and Permutation Feature Importance to enhance interpretability. This research advances demand forecasting methodologies and offers practical guidelines for integrating MCDFN into supply chain systems, highlighting future research directions for scalability and user-friendly deployment.

We study the problem of Trajectory Optimization (TO) for a general class of stiff and constrained dynamic systems. We establish a set of mild assumptions, under which we show that TO converges numerically stably to a locally optimal and feasible solution up to arbitrary user-specified error tolerance. Our key observation is that all prior works use SQP as a black-box solver, where a TO problem is formulated as a Nonlinear Program (NLP) and the underlying SQP solver is not allowed to modify the NLP. Instead, we propose a white-box TO solver, where the SQP solver is informed with characteristics of the objective function and the dynamic system. It then uses these characteristics to derive approximate dynamic systems and customize the discretization schemes.

Fine-tuning pretrained large models to downstream tasks is an important problem, which however suffers from huge memory overhead due to large-scale parameters. This work strives to reduce memory overhead in fine-tuning from perspectives of activation function and layer normalization. To this end, we propose the Approximate Backpropagation (Approx-BP) theory, which provides the theoretical feasibility of decoupling the forward and backward passes. We apply our Approx-BP theory to backpropagation training and derive memory-efficient alternatives of GELU and SiLU activation functions, which use derivative functions of ReLUs in the backward pass while keeping their forward pass unchanged. In addition, we introduce a Memory-Sharing Backpropagation strategy, which enables the activation memory to be shared by two adjacent layers, thereby removing activation memory usage redundancy. Our method neither induces extra computation nor reduces training efficiency. We conduct extensive experiments with pretrained vision and language models, and the results demonstrate that our proposal can reduce up to $\sim$$30\%$ of the peak memory usage. Our code is released at https://github.com/yyyyychen/LowMemoryBP.