Modeling forest dynamics under novel climatic conditions requires a careful balance between process-based understanding and empirical flexibility. Dynamic Vegetation Models (DVM) represent ecological processes mechanistically, but their performance is prone to misspecified assumptions about functional forms. Inferring the structure of these processes and their functional forms correctly from data remains a major challenge because current approaches, such as plug-in estimators, have proven ineffective. We introduce Forest Informed Neural Networks (FINN), a hybrid modeling approach that combines a forest gap model with deep neural networks (DNN). FINN replaces processes with DNNs, which are then calibrated alongside the other mechanistic components in one unified step. In a case study on the Barro Colorado Island 50-ha plot we demonstrate that replacing the growth process with a DNN improves predictive performance and succession trajectories compared to a mechanistic version of FINN. Furthermore, we discovered that the DNN learned an ecologically plausible, improved functional form of the growth process, which we extracted from the DNN using explainable AI. In conclusion, our new hybrid modeling approach offers a versatile opportunity to infer forest dynamics from data and to improve forecasts of ecosystem trajectories under unprecedented environmental change.

Operator learning (OL) has emerged as a powerful tool in scientific machine learning (SciML) for approximating mappings between infinite-dimensional functional spaces. One of its main applications is learning the solution operator of partial differential equations (PDEs). While much of the progress in this area has been driven by deep neural network-based approaches such as Deep Operator Networks (DeepONet) and Fourier Neural Operator (FNO), recent work has begun to explore traditional machine learning methods for OL. In this work, we introduce polynomial chaos expansion (PCE) as an OL method. PCE has been widely used for uncertainty quantification (UQ) and has recently gained attention in the context of SciML. For OL, we establish a mathematical framework that enables PCE to approximate operators in both purely data-driven and physics-informed settings. The proposed framework reduces the task of learning the operator to solving a system of equations for the PCE coefficients. Moreover, the framework provides UQ by simply post-processing the PCE coefficients, without any additional computational cost. We apply the proposed method to a diverse set of PDE problems to demonstrate its capabilities. Numerical results demonstrate the strong performance of the proposed method in both OL and UQ tasks, achieving excellent numerical accuracy and computational efficiency.

Subsampled natural gradient descent (SNGD) has shown impressive results for parametric optimization tasks in scientific machine learning, such as neural network wavefunctions and physics-informed neural networks, but it has lacked a theoretical explanation. We address this gap by analyzing the convergence of SNGD and its accelerated variant, SPRING, for idealized parametric optimization problems where the model is linear and the loss function is strongly convex and quadratic. In the special case of a least-squares loss, namely the standard linear least-squares problem, we prove that SNGD is equivalent to a regularized Kaczmarz method while SPRING is equivalent to an accelerated regularized Kaczmarz method. As a result, by leveraging existing analyses we obtain under mild conditions (i) the first fast convergence rate for SNGD, (ii) the first convergence guarantee for SPRING in any setting, and (iii) the first proof that SPRING can accelerate SNGD. In the case of a general strongly convex quadratic loss, we extend the analysis of the regularized Kaczmarz method to obtain a fast convergence rate for SNGD under stronger conditions, providing the first explanation for the effectiveness of SNGD outside of the least-squares setting. Overall, our results illustrate how tools from randomized linear algebra can shed new light on the interplay between subsampling and curvature-aware optimization strategies.

Tool-augmented language models, equipped with retrieval, memory, or external APIs, are reshaping AI, yet their theoretical advantages remain underexplored. In this paper, we address this question by demonstrating the benefits of in-tool learning (external retrieval) over in-weight learning (memorization) for factual recall. We show that the number of facts a model can memorize solely in its weights is fundamentally limited by its parameter count. In contrast, we prove that tool-use enables unbounded factual recall via a simple and efficient circuit construction. These results are validated in controlled experiments, where tool-using models consistently outperform memorizing ones. We further show that for pretrained large language models, teaching tool-use and general rules is more effective than finetuning facts into memory. Our work provides both a theoretical and empirical foundation, establishing why tool-augmented workflows are not just practical, but provably more scalable.

In this paper, we describe and benchmark a competitor-discovery component used within an agentic AI system for fast drug asset due diligence. A competitor-discovery AI agent, given an indication, retrieves all drugs comprising the competitive landscape of that indication and extracts canonical attributes for these drugs. The competitor definition is investor-specific, and data is paywalled/licensed, fragmented across registries, ontology-mismatched by indication, alias-heavy for drug names, multimodal, and rapidly changing. Although considered the best tool for this problem, the current LLM-based AI systems aren't capable of reliably retrieving all competing drug names, and there is no accepted public benchmark for this task. To address the lack of evaluation, we use LLM-based agents to transform five years of multi-modal, unstructured diligence memos from a private biotech VC fund into a structured evaluation corpus mapping indications to competitor drugs with normalized attributes. We also introduce a competitor validating LLM-as-a-judge agent that filters out false positives from the list of predicted competitors to maximize precision and suppress hallucinations. On this benchmark, our competitor-discovery agent achieves 83% recall, exceeding OpenAI Deep Research (65%) and Perplexity Labs (60%). The system is deployed in production with enterprise users; in a case study with a biotech VC investment fund, analyst turnaround time dropped from 2.5 days to $\sim$3 hours ($\sim$20x) for the competitive analysis.

Chain-of-Thought (CoT) reasoning has significantly advanced Large Language Models (LLMs) in solving complex tasks. However, its autoregressive paradigm leads to significant computational overhead, hindering its deployment in latency-sensitive applications. To address this, we propose \textbf{DART} (\textbf{D}istilling \textbf{A}utoregressive \textbf{R}easoning to Silent \textbf{T}hought), a self-distillation framework that enables LLMs to replace autoregressive CoT with non-autoregressive Silent Thought (ST). Specifically, DART introduces two training pathways: the CoT pathway for traditional reasoning and the ST pathway for generating answers directly from a few ST tokens. The ST pathway utilizes a lightweight Reasoning Evolvement Module (REM) to align its hidden states with the CoT pathway, enabling the ST tokens to evolve into informative embeddings. During inference, only the ST pathway is activated, leveraging evolving ST tokens to deliver the answer directly. Extensive experimental results demonstrate that DART offers significant performance gains compared with existing non-autoregressive baselines without extra inference latency, serving as a feasible alternative for efficient reasoning.

Point cloud registration is crucial for ensuring 3D alignment consistency of multiple local point clouds in 3D reconstruction for remote sensing or digital heritage. While various point cloud-based registration methods exist, both non-learning and learning-based, they ignore point orientations and point uncertainties, making the model susceptible to noisy input and aggressive rotations of the input point cloud like orthogonal transformation; thus, it necessitates extensive training point clouds with transformation augmentations. To address these issues, we propose a novel surfel-based pose learning regression approach. Our method can initialize surfels from Lidar point cloud using virtual perspective camera parameters, and learns explicit $\mathbf{SE(3)}$ equivariant features, including both position and rotation through $\mathbf{SE(3)}$ equivariant convolutional kernels to predict relative transformation between source and target scans. The model comprises an equivariant convolutional encoder, a cross-attention mechanism for similarity computation, a fully-connected decoder, and a non-linear Huber loss. Experimental results on indoor and outdoor datasets demonstrate our model superiority and robust performance on real point-cloud scans compared to state-of-the-art methods.

Safety alignment in Large Language Models (LLMs) often involves mediating internal representations to refuse harmful requests. Recent research has demonstrated that these safety mechanisms can be bypassed by ablating or removing specific representational directions within the model. In this paper, we propose the opposite approach: Rank-One Safety Injection (ROSI), a white-box method that amplifies a model's safety alignment by permanently steering its activations toward the refusal-mediating subspace. ROSI operates as a simple, fine-tuning-free rank-one weight modification applied to all residual stream write matrices. The required safety direction can be computed from a small set of harmful and harmless instruction pairs. We show that ROSI consistently increases safety refusal rates - as evaluated by Llama Guard 3 - while preserving the utility of the model on standard benchmarks such as MMLU, HellaSwag, and Arc. Furthermore, we show that ROSI can also re-align 'uncensored' models by amplifying their own latent safety directions, demonstrating its utility as an effective last-mile safety procedure. Our results suggest that targeted, interpretable weight steering is a cheap and potent mechanism to improve LLM safety, complementing more resource-intensive fine-tuning paradigms.

Existing state-of-the-art symbolic music generation models predominantly adopt autoregressive or hierarchical autoregressive architectures, modelling symbolic music as a sequence of attribute tokens with unidirectional temporal dependencies, under the assumption of a fixed, strict dependency structure among these attributes. However, we observe that using different attributes as the initial token in these models leads to comparable performance. This suggests that the attributes of a musical note are, in essence, a concurrent and unordered set, rather than a temporally dependent sequence. Based on this insight, we introduce Amadeus, a novel symbolic music generation framework. Amadeus adopts a two-level architecture: an autoregressive model for note sequences and a bidirectional discrete diffusion model for attributes. To enhance performance, we propose Music Latent Space Discriminability Enhancement Strategy(MLSDES), incorporating contrastive learning constraints that amplify discriminability of intermediate music representations. The Conditional Information Enhancement Module (CIEM) simultaneously strengthens note latent vector representation via attention mechanisms, enabling more precise note decoding. We conduct extensive experiments on unconditional and text-conditioned generation tasks. Amadeus significantly outperforms SOTA models across multiple metrics while achieving at least 4$\times$ speed-up. Furthermore, we demonstrate training-free, fine-grained note attribute control feasibility using our model. To explore the upper performance bound of the Amadeus architecture, we compile the largest open-source symbolic music dataset to date, AMD (Amadeus MIDI Dataset), supporting both pre-training and fine-tuning.

Recent advances in large language models (LLMs) and medical LLMs (Med-LLMs) have demonstrated strong performance on general medical benchmarks. However, their capabilities in specialized medical fields, such as dentistry which require deeper domain-specific knowledge, remain underexplored due to the lack of targeted evaluation resources. In this paper, we introduce DentalBench, the first comprehensive bilingual benchmark designed to evaluate and advance LLMs in the dental domain. DentalBench consists of two main components: DentalQA, an English-Chinese question-answering (QA) benchmark with 36,597 questions spanning 4 tasks and 16 dental subfields; and DentalCorpus, a large-scale, high-quality corpus with 337.35 million tokens curated for dental domain adaptation, supporting both supervised fine-tuning (SFT) and retrieval-augmented generation (RAG). We evaluate 14 LLMs, covering proprietary, open-source, and medical-specific models, and reveal significant performance gaps across task types and languages. Further experiments with Qwen-2.5-3B demonstrate that domain adaptation substantially improves model performance, particularly on knowledge-intensive and terminology-focused tasks, and highlight the importance of domain-specific benchmarks for developing trustworthy and effective LLMs tailored to healthcare applications.