Abstract:Tabular data high-stakes critical decision-making in domains such as finance, healthcare, and scientific discovery. Yet, learning effectively from tabular data in few-shot settings, where labeled examples are scarce, remains a fundamental challenge. Traditional tree-based methods often falter in these regimes due to their reliance on statistical purity metrics, which become unstable and prone to overfitting with limited supervision. At the same time, direct applications of large language models (LLMs) often overlook its inherent structure, leading to suboptimal performance. To overcome these limitations, we propose FORESTLLM, a novel framework that unifies the structural inductive biases of decision forests with the semantic reasoning capabilities of LLMs. Crucially, FORESTLLM leverages the LLM only during training, treating it as an offline model designer that encodes rich, contextual knowledge into a lightweight, interpretable forest model, eliminating the need for LLM inference at test time. Our method is two-fold. First, we introduce a semantic splitting criterion in which the LLM evaluates candidate partitions based on their coherence over both labeled and unlabeled data, enabling the induction of more robust and generalizable tree structures under few-shot supervision. Second, we propose a one-time in-context inference mechanism for leaf node stabilization, where the LLM distills the decision path and its supporting examples into a concise, deterministic prediction, replacing noisy empirical estimates with semantically informed outputs. Across a diverse suite of few-shot classification and regression benchmarks, FORESTLLM achieves state-of-the-art performance.
Abstract:Despite their empirical success, pushing Transformer architectures to extreme depth often leads to a paradoxical failure: representations become increasingly redundant, lose rank, and ultimately collapse. Existing explanations largely attribute this phenomenon to optimization instability or vanishing gradients, yet such accounts fail to explain why collapse persists even under modern normalization and initialization schemes. In this paper, we argue that the collapse of deep Transformers is fundamentally a geometric problem. Standard residual updates implicitly assume that feature accumulation is always beneficial, but offer no mechanism to constrain update directions or to erase outdated information. As depth increases, this leads to systematic drift off the semantic manifold and monotonic feature accumulation, causing representational degeneracy. We propose a unified geometric framework that addresses these failures through two orthogonal principles. First, manifold-constrained hyper-connections restrict residual updates to valid local tangent directions, preventing uncontrolled manifold drift. Second, deep delta learning introduces data-dependent, non-monotonic updates that enable reflection and erasure of redundant features rather than their unconditional accumulation. Together, these mechanisms decouple the direction and sign of feature updates, yielding a stable geometric evolution across depth. We term the resulting architecture the Manifold-Geometric Transformer (MGT). Our analysis predicts that enforcing geometric validity while allowing dynamic erasure is essential for avoiding rank collapse in ultra-deep networks. We outline an evaluation protocol for Transformers exceeding 100 layers to test the hypothesis that geometry, rather than depth itself, is the key limiting factor in deep representation learning.




Abstract:Chain-of-Thought (CoT) prompting has significantly advanced task-solving capabilities in natural language processing with large language models. Unlike standard prompting, CoT encourages the model to generate intermediate reasoning steps, non-answer tokens, that help guide the model toward more accurate final outputs. These intermediate steps enable more complex reasoning processes such as error correction, memory management, future planning, and self-reflection. However, applying CoT to non-natural language domains, such as protein and RNA language models, is not yet possible, primarily due to the limited expressiveness of their token spaces (e.g., amino acid tokens). In this work, we propose and define the concept of language expressiveness: the ability of a given language, using its tokens and grammar, to encode information. We show that the limited expressiveness of protein language severely restricts the applicability of CoT-style reasoning. To overcome this, we introduce reflection pretraining, for the first time in a biological sequence model, which enables the model to engage in intermediate reasoning through the generation of auxiliary "thinking tokens" beyond simple answer tokens. Theoretically, we demonstrate that our augmented token set significantly enhances biological language expressiveness, thereby improving the overall reasoning capacity of the model. Experimentally, our pretraining approach teaches protein models to self-correct and leads to substantial performance gains compared to standard pretraining.
Abstract:Post-translational modifications (PTMs) serve as a dynamic chemical language regulating protein function, yet current proteomic methods remain blind to a vast portion of the modified proteome. Standard database search algorithms suffer from a combinatorial explosion of search spaces, limiting the identification of uncharacterized or complex modifications. Here we introduce OmniNovo, a unified deep learning framework for reference-free sequencing of unmodified and modified peptides directly from tandem mass spectra. Unlike existing tools restricted to specific modification types, OmniNovo learns universal fragmentation rules to decipher diverse PTMs within a single coherent model. By integrating a mass-constrained decoding algorithm with rigorous false discovery rate estimation, OmniNovo achieves state-of-the-art accuracy, identifying 51\% more peptides than standard approaches at a 1\% false discovery rate. Crucially, the model generalizes to biological sites unseen during training, illuminating the dark matter of the proteome and enabling unbiased comprehensive analysis of cellular regulation.
Abstract:Mixture-of-Experts (MoE) architectures scale large language models (LLMs) by activating only a subset of experts per token, but the standard TopK routing assigns the same fixed number of experts to all tokens, ignoring their varying complexity. Prior adaptive routing methods introduce additional modules and hyperparameters, often requiring costly retraining from scratch. We propose Sequence-level TopK (SeqTopK), a minimal modification that shifts the expert budget from the token level to the sequence level. By selecting the top $T \cdot K$ experts across all $T$ tokens, SeqTopK enables end-to-end learned dynamic allocation -- assigning more experts to difficult tokens and fewer to easy ones -- while preserving the same overall budget. SeqTopK requires only a few lines of code, adds less than 1% overhead, and remains fully compatible with pretrained MoE models. Experiments across math, coding, law, and writing show consistent improvements over TopK and prior parameter-free adaptive methods, with gains that become substantially larger under higher sparsity (up to 16.9%). These results highlight SeqTopK as a simple, efficient, and scalable routing strategy, particularly well-suited for the extreme sparsity regimes of next-generation LLMs. Code is available at https://github.com/Y-Research-SBU/SeqTopK.




Abstract:Head movement poses a significant challenge in brain positron emission tomography (PET) imaging, resulting in image artifacts and tracer uptake quantification inaccuracies. Effective head motion estimation and correction are crucial for precise quantitative image analysis and accurate diagnosis of neurological disorders. Hardware-based motion tracking (HMT) has limited applicability in real-world clinical practice. To overcome this limitation, we propose a deep-learning head motion correction approach with cross-attention (DL-HMC++) to predict rigid head motion from one-second 3D PET raw data. DL-HMC++ is trained in a supervised manner by leveraging existing dynamic PET scans with gold-standard motion measurements from external HMT. We evaluate DL-HMC++ on two PET scanners (HRRT and mCT) and four radiotracers (18F-FDG, 18F-FPEB, 11C-UCB-J, and 11C-LSN3172176) to demonstrate the effectiveness and generalization of the approach in large cohort PET studies. Quantitative and qualitative results demonstrate that DL-HMC++ consistently outperforms state-of-the-art data-driven motion estimation methods, producing motion-free images with clear delineation of brain structures and reduced motion artifacts that are indistinguishable from gold-standard HMT. Brain region of interest standard uptake value analysis exhibits average difference ratios between DL-HMC++ and gold-standard HMT to be 1.2 plus-minus 0.5% for HRRT and 0.5 plus-minus 0.2% for mCT. DL-HMC++ demonstrates the potential for data-driven PET head motion correction to remove the burden of HMT, making motion correction accessible to clinical populations beyond research settings. The code is available at https://github.com/maxxxxxxcai/DL-HMC-TMI.




Abstract:Time series forecasting is central to decision-making in domains as diverse as energy, finance, climate, and public health. In practice, forecasters face thousands of short, noisy series that vary in frequency, quality, and horizon, where the dominant cost lies not in model fitting, but in the labor-intensive preprocessing, validation, and ensembling required to obtain reliable predictions. Prevailing statistical and deep learning models are tailored to specific datasets or domains and generalize poorly. A general, domain-agnostic framework that minimizes human intervention is urgently in demand. In this paper, we introduce TimeSeriesScientist (TSci), the first LLM-driven agentic framework for general time series forecasting. The framework comprises four specialized agents: Curator performs LLM-guided diagnostics augmented by external tools that reason over data statistics to choose targeted preprocessing; Planner narrows the hypothesis space of model choice by leveraging multi-modal diagnostics and self-planning over the input; Forecaster performs model fitting and validation and, based on the results, adaptively selects the best model configuration as well as ensemble strategy to make final predictions; and Reporter synthesizes the whole process into a comprehensive, transparent report. With transparent natural-language rationales and comprehensive reports, TSci transforms the forecasting workflow into a white-box system that is both interpretable and extensible across tasks. Empirical results on eight established benchmarks demonstrate that TSci consistently outperforms both statistical and LLM-based baselines, reducing forecast error by an average of 10.4% and 38.2%, respectively. Moreover, TSci produces a clear and rigorous report that makes the forecasting workflow more transparent and interpretable.
Abstract:Multi-agent systems built upon large language models (LLMs) have demonstrated remarkable capabilities in tackling complex compositional tasks. In this work, we apply this paradigm to the paper-to-poster generation problem, a practical yet time-consuming process faced by researchers preparing for conferences. While recent approaches have attempted to automate this task, most neglect core design and aesthetic principles, resulting in posters that require substantial manual refinement. To address these design limitations, we propose PosterGen, a multi-agent framework that mirrors the workflow of professional poster designers. It consists of four collaborative specialized agents: (1) Parser and Curator agents extract content from the paper and organize storyboard; (2) Layout agent maps the content into a coherent spatial layout; (3) Stylist agents apply visual design elements such as color and typography; and (4) Renderer composes the final poster. Together, these agents produce posters that are both semantically grounded and visually appealing. To evaluate design quality, we introduce a vision-language model (VLM)-based rubric that measures layout balance, readability, and aesthetic coherence. Experimental results show that PosterGen consistently matches in content fidelity, and significantly outperforms existing methods in visual designs, generating posters that are presentation-ready with minimal human refinements.




Abstract:While multi-step diffusion models have advanced both forward and inverse rendering, existing approaches often treat these problems independently, leading to cycle inconsistency and slow inference speed. In this work, we present Ouroboros, a framework composed of two single-step diffusion models that handle forward and inverse rendering with mutual reinforcement. Our approach extends intrinsic decomposition to both indoor and outdoor scenes and introduces a cycle consistency mechanism that ensures coherence between forward and inverse rendering outputs. Experimental results demonstrate state-of-the-art performance across diverse scenes while achieving substantially faster inference speed compared to other diffusion-based methods. We also demonstrate that Ouroboros can transfer to video decomposition in a training-free manner, reducing temporal inconsistency in video sequences while maintaining high-quality per-frame inverse rendering.




Abstract:Synthesizing realistic Martian landscape videos is crucial for mission rehearsal and robotic simulation. However, this task poses unique challenges due to the scarcity of high-quality Martian data and the significant domain gap between Martian and terrestrial imagery. To address these challenges, we propose a holistic solution composed of two key components: 1) A data curation pipeline Multimodal Mars Synthesis (M3arsSynth), which reconstructs 3D Martian environments from real stereo navigation images, sourced from NASA's Planetary Data System (PDS), and renders high-fidelity multiview 3D video sequences. 2) A Martian terrain video generator, MarsGen, which synthesizes novel videos visually realistic and geometrically consistent with the 3D structure encoded in the data. Our M3arsSynth engine spans a wide range of Martian terrains and acquisition dates, enabling the generation of physically accurate 3D surface models at metric-scale resolution. MarsGen, fine-tuned on M3arsSynth data, synthesizes videos conditioned on an initial image frame and, optionally, camera trajectories or textual prompts, allowing for video generation in novel environments. Experimental results show that our approach outperforms video synthesis models trained on terrestrial datasets, achieving superior visual fidelity and 3D structural consistency.