Large language models (LLMs) hold promise for generating plans for complex tasks, but their effectiveness is limited by sequential execution, lack of control flow models, and difficulties in skill retrieval. Addressing these issues is crucial for improving the efficiency and interpretability of plan generation as LLMs become more central to automation and decision-making. We introduce a novel approach to skill learning in LLMs by integrating process mining techniques, leveraging process discovery for skill acquisition, process models for skill storage, and conformance checking for skill retrieval. Our methods enhance text-based plan generation by enabling flexible skill discovery, parallel execution, and improved interpretability. Experimental results suggest the effectiveness of our approach, with our skill retrieval method surpassing state-of-the-art accuracy baselines under specific conditions.

Understanding the spatial distribution of palms within tropical forests is essential for effective ecological monitoring, conservation strategies, and the sustainable integration of natural forest products into local and global supply chains. However, the analysis of remotely sensed data in these environments faces significant challenges, such as overlapping palm and tree crowns, uneven shading across the canopy surface, and the heterogeneous nature of the forest landscapes, which often affect the performance of palm detection and segmentation algorithms. To overcome these issues, we introduce PalmDSNet, a deep learning framework for real-time detection, segmentation, and counting of canopy palms. Additionally, we employ a bimodal reproduction algorithm that simulates palm spatial propagation to further enhance the understanding of these point patterns using PalmDSNet's results. We used UAV-captured imagery to create orthomosaics from 21 sites across western Ecuadorian tropical forests, covering a gradient from the everwet Choc\'o forests near Colombia to the drier forests of southwestern Ecuador. Expert annotations were used to create a comprehensive dataset, including 7,356 bounding boxes on image patches and 7,603 palm centers across five orthomosaics, encompassing a total area of 449 hectares. By combining PalmDSNet with the bimodal reproduction algorithm, which optimizes parameters for both local and global spatial variability, we effectively simulate the spatial distribution of palms in diverse and dense tropical environments, validating its utility for advanced applications in tropical forest monitoring and remote sensing analysis.

Bayesian optimisation for real-world problems is often performed interactively with human experts, and integrating their domain knowledge is key to accelerate the optimisation process. We consider a setup where experts provide advice on the next query point through binary accept/reject recommendations (labels). Experts' labels are often costly, requiring efficient use of their efforts, and can at the same time be unreliable, requiring careful adjustment of the degree to which any expert is trusted. We introduce the first principled approach that provides two key guarantees. (1) Handover guarantee: similar to a no-regret property, we establish a sublinear bound on the cumulative number of experts' binary labels. Initially, multiple labels per query are needed, but the number of expert labels required asymptotically converges to zero, saving both expert effort and computation time. (2) No-harm guarantee with data-driven trust level adjustment: our adaptive trust level ensures that the convergence rate will not be worse than the one without using advice, even if the advice from experts is adversarial. Unlike existing methods that employ a user-defined function that hand-tunes the trust level adjustment, our approach enables data-driven adjustments. Real-world applications empirically demonstrate that our method not only outperforms existing baselines, but also maintains robustness despite varying labelling accuracy, in tasks of battery design with human experts.

Large language models (LLMs) require alignment, such as instruction-tuning or reinforcement learning from human feedback, to effectively and safely follow user instructions. This process necessitates training aligned versions for every model size in each model family, resulting in significant computational overhead. In this work, we propose nudging, a simple, plug-and-play, and training-free algorithm that aligns any base model at inference time using a small aligned model. Nudging is motivated by recent findings that alignment primarily alters the model's behavior on a small subset of stylistic tokens, such as "Sure" or "Thank". We find that base models are significantly more uncertain when generating these tokens. Leveraging this observation, nudging employs a small aligned model to generate nudging tokens to steer the large base model's output toward desired directions when the base model's uncertainty is high. We evaluate the effectiveness of nudging across 3 model families and 13 tasks, covering reasoning, general knowledge, instruction following, and safety benchmarks. Without any additional training, nudging a large base model with a 7x - 14x smaller aligned model achieves zero-shot performance comparable to, and sometimes surpassing, that of large aligned models. For example, nudging OLMo-7b with OLMo-1b-instruct, affecting less than 9% of tokens, achieves a 10% absolute improvement on GSM8K over OLMo-7b-instruct. Unlike prior inference-time tuning methods, nudging enables off-the-shelf collaboration between model families. For instance, nudging Gemma-2-27b with Llama-2-7b-chat outperforms Llama-2-70b-chat on various tasks. Overall, this work introduces a simple yet powerful approach to token-level model collaboration, offering a modular solution to LLM alignment. Our project website: https://fywalter.github.io/nudging/ .

The goal of this paper is to improve (upcycle) an existing large language model without the prohibitive requirements of continued pre-training of the full-model. The idea is to split the pre-training data into semantically relevant groups and train an expert on each subset. An expert takes the form of a lightweight adapter added on the top of a frozen base model. During inference, an incoming query is first routed to the most relevant expert which is then loaded onto the base model for the forward pass. Unlike typical Mixture of Experts (MoE) models, the experts in our method do not work with other experts for a single query. Hence, we dub them "introvert" experts. Freezing the base model and keeping the experts as lightweight adapters allows extreme parallelism during training and inference. Training of all experts can be done in parallel without any communication channels between them. Similarly, the inference can also be heavily parallelized by distributing experts on different GPUs and routing each request to the GPU containing its relevant expert. We implement a proof-of-concept version of this method and show the validity of our approach.

The Duke Robotics Club is proud to present our robot for the 2024 RoboSub Competition: Oogway. Now in its second year, Oogway has been dramatically upgraded in both its capabilities and reliability. Oogway was built on the principle of independent, well-integrated, and reliable subsystems. Individual components and subsystems were tested and designed separately. Oogway's most advanced capabilities are a result of the tight integration between these subsystems. Such examples include a re-envisioned controls system, an entirely new electrical stack, advanced sonar integration, additional cameras and system monitoring, a new marker dropper, and a watertight capsule mechanism. These additions enabled Oogway to prequalify for Robosub 2024.

Graph-based machine learning models for materials properties show great potential to accelerate virtual high-throughput screening of large chemical spaces. However, in their simplest forms, graph-based models do not include any 3D information and are unable to distinguish stereoisomers such as those arising from different orderings of ligands around a metal center in coordination complexes. In this work we present a modification to revised autocorrelation descriptors, our molecular graph featurization method for machine learning various spin state dependent properties of octahedral transition metal complexes (TMCs). Inspired by analytical semi-empirical models for TMCs, the new modeling strategy is based on the many-body expansion (MBE) and allows one to tune the captured stereoisomer information by changing the truncation order of the MBE. We present the necessary modifications to include this approach in two commonly used machine learning methods, kernel ridge regression and feed-forward neural networks. On a test set composed of all possible isomers of binary transition metal complexes, the best MBE models achieve mean absolute errors of 2.75 kcal/mol on spin-splitting energies and 0.26 eV on frontier orbital energy gaps, a 30-40% reduction in error compared to models based on our previous approach. We also observe improved generalization to previously unseen ligands where the best-performing models exhibit mean absolute errors of 4.00 kcal/mol (i.e., a 0.73 kcal/mol reduction) on the spin-splitting energies and 0.53 eV (i.e., a 0.10 eV reduction) on the frontier orbital energy gaps. Because the new approach incorporates insights from electronic structure theory, such as ligand additivity relationships, these models exhibit systematic generalization from homoleptic to heteroleptic complexes, allowing for efficient screening of TMC search spaces.

As artificial intelligence (AI) continues to advance, it demonstrates capabilities comparable to human intelligence, with significant potential to transform education and workforce development. This study evaluates OpenAI o1-preview's ability to perform higher-order cognitive tasks across 14 dimensions, including critical thinking, systems thinking, computational thinking, design thinking, metacognition, data literacy, creative thinking, abstract reasoning, quantitative reasoning, logical reasoning, analogical reasoning, and scientific reasoning. We used validated instruments like the Ennis-Weir Critical Thinking Essay Test and the Biological Systems Thinking Test to compare the o1-preview's performance with human performance systematically. Our findings reveal that o1-preview outperforms humans in most categories, achieving 150% better results in systems thinking, computational thinking, data literacy, creative thinking, scientific reasoning, and abstract reasoning. However, compared to humans, it underperforms by around 25% in logical reasoning, critical thinking, and quantitative reasoning. In analogical reasoning, both o1-preview and humans achieved perfect scores. Despite these strengths, the o1-preview shows limitations in abstract reasoning, where human psychology students outperform it, highlighting the continued importance of human oversight in tasks requiring high-level abstraction. These results have significant educational implications, suggesting a shift toward developing human skills that complement AI, such as creativity, abstract reasoning, and critical thinking. This study emphasizes the transformative potential of AI in education and calls for a recalibration of educational goals, teaching methods, and curricula to align with an AI-driven world.

We show that training deep neural networks (DNNs) with absolute value activation and arbitrary input dimension can be formulated as equivalent convex Lasso problems with novel features expressed using geometric algebra. This formulation reveals geometric structures encoding symmetry in neural networks. Using the equivalent Lasso form of DNNs, we formally prove a fundamental distinction between deep and shallow networks: deep networks inherently favor symmetric structures in their fitted functions, with greater depth enabling multilevel symmetries, i.e., symmetries within symmetries. Moreover, Lasso features represent distances to hyperplanes that are reflected across training points. These reflection hyperplanes are spanned by training data and are orthogonal to optimal weight vectors. Numerical experiments support theory and demonstrate theoretically predicted features when training networks using embeddings generated by Large Language Models. Recent advancements have demonstrated that deep neural networks are powerful models that can perform tasks including natural language processing, synthetic data and image generation, classification, and regression. However, research literature still lacks in intuitively understanding why deep networks are so powerful: what they "look for" in data, or in other words, how each layer extracts features. We are interested in the following question: Is there a fundamental difference in the nature of functions learned by deep networks, as opposed to shallow networks? We answer this question by transforming non-convex training problems into convex formulations and analyzing their structure.

Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as a promising strategy for drug design. Molecular docking program -- a physical simulation that estimates protein-small molecule binding affinity -- can be an ideal reward scoring function for RL, as it is a straightforward proxy of the therapeutic potential. Still, two imminent challenges exist for this task. First, the models often fail to generate chemically realistic and pharmacochemically acceptable molecules. Second, the docking score optimization is a difficult exploration problem that involves many local optima and less smooth surface with respect to molecular structure.