Abstract:Reasoning-focused large language models (LLMs) have advanced in many NLP tasks, yet their evaluation remains challenging: final answers alone do not expose the intermediate reasoning steps, making it difficult to determine whether a model truly reasons correctly and where failures occur, while existing multi-hop QA benchmarks lack step-level annotations for diagnosing reasoning failures. To address this gap, we propose Omanic, an open-domain multi-hop QA resource that provides decomposed sub-questions and intermediate answers as structural annotations for analyzing reasoning processes. It contains 10,296 machine-generated training examples (OmanicSynth) and 967 expert-reviewed human-annotated evaluation examples (OmanicBench). Systematic evaluations show that state-of-the-art LLMs achieve only 73.11% multiple-choice accuracy on OmanicBench, confirming its high difficulty. Stepwise analysis reveals that CoT's performance hinges on factual completeness, with its gains diminishing under knowledge gaps and errors amplifying in later hops. Additionally, supervised fine-tuning on OmanicSynth brings substantial transfer gains (7.41 average points) across six reasoning and math benchmarks, validating the dataset's quality and further supporting the effectiveness of OmanicSynth as supervision for reasoning-capability transfer. We release the data at https://huggingface.co/datasets/li-lab/Omanic and the code at https://github.com/XiaojieGu/Omanic.
Abstract:Multiphase flow in porous media underpins subsurface energy and environmental technologies, including geological CO$_2$ storage and underground hydrogen storage, yet pore-scale dynamics in realistic three-dimensional materials remain difficult to characterize and predict. Here we introduce a multimodal learning framework that infers multiphase pore-scale flow directly from time-resolved four-dimensional (4D) micro-velocimetry measurements. The model couples a graph network simulator for Lagrangian tracer-particle motion with a 3D U-Net for voxelized interface evolution. The imaged pore geometry serves as a boundary constraint to the flow velocity and the multiphase interface predictions, which are coupled and updated iteratively at each time step. Trained autoregressively on experimental sequences in capillary-dominated conditions ($Ca\approx10^{-6}$), the learned surrogate captures transient, nonlocal flow perturbations and abrupt interface rearrangements (Haines jumps) over rollouts spanning seconds of physical time, while reducing hour-to-day--scale direct numerical simulations to seconds of inference. By providing rapid, experimentally informed predictions, the framework opens a route to ''digital experiments'' to replicate pore-scale physics observed in multiphase flow experiments, offering an efficient tool for exploring injection conditions and pore-geometry effects relevant to subsurface carbon and hydrogen storage.
Abstract:Modern recommender systems must adapt to dynamic, need-specific objectives for diverse recommendation scenarios, yet most traditional recommenders are optimized for a single static target and struggle to reconfigure behavior on demand. Recent advances in reinforcement-learning-based post-training have unlocked strong instruction-following and reasoning capabilities in LLMs, suggesting a principled route for aligning them to complex recommendation goals. Motivated by this, we study closed-set autoregressive ranking, where an LLM generates a permutation over a fixed candidate set conditioned on user context and an explicit need instruction. However, applying RL to this setting faces two key obstacles: (i) sequence-level rewards yield coarse credit assignment that fails to provide fine-grained training signals, and (ii) interaction feedback is sparse and noisy, which together lead to inefficient and unstable updates. We propose FlexRec, a post-training RL framework that addresses both issues with (1) a causally grounded item-level reward based on counterfactual swaps within the remaining candidate pool, and (2) critic-guided, uncertainty-aware scaling that explicitly models reward uncertainty and down-weights low-confidence rewards to stabilize learning under sparse supervision. Across diverse recommendation scenarios and objectives, FlexRec achieves substantial gains: it improves NDCG@5 by up to \textbf{59\%} and Recall@5 by up to \textbf{109.4\%} in need-specific ranking, and further achieves up to \textbf{24.1\%} Recall@5 improvement under generalization settings, outperforming strong traditional recommenders and LLM-based baselines.
Abstract:General-purpose 3D chemical modeling encompasses molecules and materials, requiring both generative and predictive capabilities. However, most existing AI approaches are optimized for a single domain (molecules or materials) and a single task (generation or prediction), which limits representation sharing and transfer. We introduce Zatom-1, the first foundation model that unifies generative and predictive learning of 3D molecules and materials. Zatom-1 is a Transformer trained with a multimodal flow matching objective that jointly models discrete atom types and continuous 3D geometries. This approach supports scalable pretraining with predictable gains as model capacity increases, while enabling fast and stable sampling. We use joint generative pretraining as a universal initialization for downstream multi-task prediction of properties, energies, and forces. Empirically, Zatom-1 matches or outperforms specialized baselines on both generative and predictive benchmarks, while reducing the generative inference time by more than an order of magnitude. Our experiments demonstrate positive predictive transfer between chemical domains from joint generative pretraining: modeling materials during pretraining improves molecular property prediction accuracy.
Abstract:Large Language Models (LLMs) have achieved remarkable progress, with Parameter-Efficient Fine-Tuning (PEFT) emerging as a key technique for downstream task adaptation. However, existing PEFT methods mainly operate in Euclidean space, fundamentally limiting their capacity to capture complex geometric structures inherent in language data. While alternative geometric spaces, like hyperbolic geometries for hierarchical data and spherical manifolds for circular patterns, offer theoretical advantages, forcing representations into a single manifold type ultimately limits expressiveness, even when curvature parameters are learnable. To address this, we propose Mixture of Space (MoS), a unified framework that leverages multiple geometric spaces simultaneously to learn richer, curvature-aware representations. Building on this scheme, we develop MoSLoRA, which extends Low-Rank Adaptation (LoRA) with heterogeneous geometric experts, enabling models to dynamically select or combine appropriate geometric spaces based on input context. Furthermore, to address the computational overhead of frequent manifold switching, we develop a lightweight routing mechanism. Moreover, we provide empirical insights into how curvature optimization impacts training stability and model performance. Our experiments across diverse benchmarks demonstrate that MoSLoRA consistently outperforms strong baselines, achieving up to 5.6% improvement on MATH500 and 15.9% on MAWPS.
Abstract:Embedding geometry plays a fundamental role in retrieval quality, yet dense retrievers for retrieval-augmented generation (RAG) remain largely confined to Euclidean space. However, natural language exhibits hierarchical structure from broad topics to specific entities that Euclidean embeddings fail to preserve, causing semantically distant documents to appear spuriously similar and increasing hallucination risk. To address these limitations, we introduce hyperbolic dense retrieval, developing two model variants in the Lorentz model of hyperbolic space: HyTE-FH, a fully hyperbolic transformer, and HyTE-H, a hybrid architecture projecting pre-trained Euclidean embeddings into hyperbolic space. To prevent representational collapse during sequence aggregation, we introduce the Outward Einstein Midpoint, a geometry-aware pooling operator that provably preserves hierarchical structure. On MTEB, HyTE-FH outperforms equivalent Euclidean baselines, while on RAGBench, HyTE-H achieves up to 29% gains over Euclidean baselines in context relevance and answer relevance using substantially smaller models than current state-of-the-art retrievers. Our analysis also reveals that hyperbolic representations encode document specificity through norm-based separation, with over 20% radial increase from general to specific concepts, a property absent in Euclidean embeddings, underscoring the critical role of geometric inductive bias in faithful RAG systems.
Abstract:With increasing deployment of Large Language Models (LLMs) in the finance domain, LLMs are increasingly expected to parse complex regulatory disclosures. However, existing benchmarks often focus on isolated details, failing to reflect the complexity of professional analysis that requires synthesizing information across multiple documents, reporting periods, and corporate entities. They do not distinguish whether errors stem from retrieval failures, generation flaws, finance-specific reasoning mistakes, or misunderstanding of the query or context. This makes it difficult to pinpoint performance bottlenecks. To bridge these gaps, we introduce Fin-RATE, a benchmark built on U.S. Securities and Exchange Commission (SEC) filings and mirror financial analyst workflows through three pathways: detail-oriented reasoning within individual disclosures, cross-entity comparison under shared topics, and longitudinal tracking of the same firm across reporting periods. We benchmark 17 leading LLMs, spanning open-source, closed-source, and finance-specialized models, under both ground-truth context and retrieval-augmented settings. Results show substantial performance degradation, with accuracy dropping by 18.60% and 14.35% as tasks shift from single-document reasoning to longitudinal and cross-entity analysis. This is driven by rising comparison hallucinations, time and entity mismatches, and mirrored by declines in reasoning and factuality--limitations that prior benchmarks have yet to formally categorize or quantify.
Abstract:Vision-Language-Action (VLA) models have recently emerged as a promising paradigm for generalist robotic control. Built upon vision-language model (VLM) architectures, VLAs predict actions conditioned on visual observations and language instructions, achieving strong performance and generalization across tasks. However, VLAs face two major challenges: limited long-horizon context and inefficient inference due to the quadratic attention complexity and large parameter counts. Our work is motivated by the observation that much of the visual information in a trajectory remains static across timesteps (e.g., the background). Leveraging this property, we propose SD-VLA, a framework that disentangles visual inputs into multi-level static and dynamic tokens, which enables (1) retaining a single copy of static tokens across frames to significantly reduce context length, and (2) reusing the key-value (KV) cache of static tokens through a lightweight recache gate that updates only when necessary. This design enables efficient multi-frame integration and efficient inference. In addition, we introduce a new benchmark that more effectively evaluates the long-horizon temporal dependency modeling ability of VLAs. Experimental results show that our approach outperforms baselines on this benchmark by 39.8% absolute improvement in success rate, and achieves a 3.9% gain on the SimplerEnv benchmark. Moreover, SD-VLA delivers a 2.26x inference speedup over the base VLA model on the same benchmark, enabling faster and more practical real-world deployment.
Abstract:Real-world time series exhibit complex and evolving dynamics, making accurate forecasting extremely challenging. Recent multi-modal forecasting methods leverage textual information such as news reports to improve prediction, but most rely on token-level fusion that mixes temporal patches with language tokens in a shared embedding space. However, such fusion can be ill-suited when high-quality time-text pairs are scarce and when time series exhibit substantial variation in scale and characteristics, thus complicating cross-modal alignment. In parallel, Mixture-of-Experts (MoE) architectures have proven effective for both time series modeling and multi-modal learning, yet many existing MoE-based modality integration methods still depend on token-level fusion. To address this, we propose Expert Modulation, a new paradigm for multi-modal time series prediction that conditions both routing and expert computation on textual signals, enabling direct and efficient cross-modal control over expert behavior. Through comprehensive theoretical analysis and experiments, our proposed method demonstrates substantial improvements in multi-modal time series prediction. The current code is available at https://github.com/BruceZhangReve/MoME
Abstract:Foundation models pre-trained on massive datasets, including large language models (LLMs), vision-language models (VLMs), and large multimodal models, have demonstrated remarkable success in diverse downstream tasks. However, recent studies have shown fundamental limitations of these models: (1) limited representational capacity, (2) lower adaptability, and (3) diminishing scalability. These shortcomings raise a critical question: is Euclidean geometry truly the optimal inductive bias for all foundation models, or could incorporating alternative geometric spaces enable models to better align with the intrinsic structure of real-world data and improve reasoning processes? Hyperbolic spaces, a class of non-Euclidean manifolds characterized by exponential volume growth with respect to distance, offer a mathematically grounded solution. These spaces enable low-distortion embeddings of hierarchical structures (e.g., trees, taxonomies) and power-law distributions with substantially fewer dimensions compared to Euclidean counterparts. Recent advances have leveraged these properties to enhance foundation models, including improving LLMs' complex reasoning ability, VLMs' zero-shot generalization, and cross-modal semantic alignment, while maintaining parameter efficiency. This paper provides a comprehensive review of hyperbolic neural networks and their recent development for foundation models. We further outline key challenges and research directions to advance the field.