L Elliot Hong

Chen Tang, Yizhou Wang, Jianyu Wu et al.

Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order. However, applying artificial intelligence to this process presents a joint challenge of representation and reasoning: models must preserve domain-native structural information while showing how specific evidence supports predictions under these constraints. Here we introduce SciReasoner, a multimodal scientific foundation model for native structural reasoning across proteins, small molecules and inorganic crystals. SciReasoner discretizes coordinates, topologies and periodic connectivities into a unified structure-aware vocabulary, treating structural tokens as addressable evidence units during reasoning. In homology-controlled Gene Ontology prediction, SciReasoner improves Cellular Component annotation for low-homology and orphan-like proteins, increasing $F_{\max}$ from 0.42 to 0.55. In chemistry, it raises single-step retrosynthesis accuracy from 0.63 to 0.72 while generating fragment-level disconnection and precursor-verification traces. In materials science, its representations separate elemental and compound phases and resolve high- and low-band-gap regimes. Across 86 benchmarks, SciReasoner achieves state-of-the-art performance on 67 tasks. Double-blind expert evaluation rates its reasoning traces as preferred or at least comparable to those of a frontier large language model in 98% of cases. By making structure an inspectable substrate for reasoning under scientific constraints, SciReasoner connects accurate prediction with interpretable scientific inference.

Leran Hong, Lei Jin, Jianfeng Zhu

Adolescence is a critical developmental period marked by heightened emotional sensitivity, social stress, and vulnerability to substance use. However, traditional research methods provide limited access to adolescents' authentic experiences, hindering efforts to develop evidence-based prevention and intervention strategies. Social media provides a unique opportunity to observe adolescents' naturally occurring discussions about substance use, offering valuable insights into their opinions, emotions, and lived experiences that can inform early prevention and intervention strategies. In this study, we analyze large-scale Reddit discussions related to substance use among adolescents between 2018 and 2023. Leveraging hour-by-day temporal analysis, sentiment and emotion classification, and transformer-based topic modeling (BERTopic), we examine the interaction between time, emotion, and semantic content in adolescent substance use discourse. Our findings reveal pronounced weekend and late-night peaks in substance-related discussions, a dominance of negative emotions such as sadness and fear, and distinct semantic topics centered on peer relationships, family conflict, emotional distress, and substance-specific experiences. These findings advance our understanding of adolescent substance use in naturalistic online settings and provide empirical evidence to support the development of more timely, targeted, and evidence-based prevention and intervention strategies.

Chen Min, Shuli Lv, Pengda Mao et al.

Due to the limited endurance of embedded energy sources such as lithium-polymer (LiPo) batteries, the flight duration and operational range of unmanned aerial vehicles (UAVs) are severely constrained. Although energy-efficient trajectory planning and control have been widely studied, most existing approaches rely on accurate system models and computationally expensive optimization procedures. This paper proposes a model-free online iterative learning (IL) framework to minimize energy consumption. Without requiring explicit models of UAV dynamics or energy consumption, the proposed method improves energy efficiency while maintaining a low computational cost. The per-iteration computational complexity is O(n), where n denotes the number of path points. In the tested cases, the proposed method is approximately 50--60 times faster than the model-based IPOPT benchmark. Simulation results and real-world flight experiments across multiple UAV platforms validate the effectiveness, computational efficiency, and practical applicability of the proposed approach.

Chen Liu, Bingxin Zhou, Xinyuan Wang et al.

Enzyme substrate interaction (ESI) prediction is a fundamental computational task for biocatalyst discovery and reaction screening in large biochemical spaces. In practical settings, ESI prediction is challenged by sparse positive supervision and low-homology distribution shift, where test enzymes share limited sequence identity with those observed during training. To address these challenges, we propose RAMMESI, a retrieval-augmented multimodal framework for robust ESI prediction. RAMMESI learns explicit pairwise enzyme-substrate representations through directional cross-modal interaction modeling and adaptive fusion. To enhance robustness, RAMMESI retrieves neighboring enzymes at inference time, recombines them with the query substrate, and aggregates the resulting pairwise predictions as contextual evidence. To improve learning under sparse positive supervision, we further adopt an imbalance-aware weighted-BCE objective. Experiments on two ESI benchmarks under sequence-identity-aware splits demonstrate that RAMMESI achieves consistently strong performance, with particular advantages in more challenging low-identity regimes. In addition, the retrieval module improves multiple ESI backbones in a plug-and-play manner, suggesting that retrieval provides a general mechanism for improving robustness under homology shift.

Jiamu Zhang, Liang Wu, Mayank Darbari et al.

Modern Mixture-of-Experts (MoE) models place most of their parameters in expert layers, yet only a small fraction of those experts are used for any token. The unused weights must still be stored where the GPU can reach them. On commodity GPUs the common fix is layer-level CPU offloading, which keeps memory low but streams all of a layer's experts across PCIe on every forward pass, losing much of MoE's sparsity benefit. We cast low-resource MoE serving as a working-set management problem on the GPU: routed expert weights and the key-value (KV) cache are two streams of memory demand competing for limited VRAM. We realize this in WiSP (Working-Set Paging), a routing-aware expert pager that plugs into an unmodified serving engine with byte-identical outputs. Keeping resident only the experts a workload reuses, WiSP reaches up to 1.95x the decode throughput of static offload at the same memory budget when the model does not fit. We also find that prefetching experts from predicted routing helps little in single-stream decode: the bottleneck is PCIe bandwidth, not prediction accuracy. This shifts the question from prefetching to allocation: how should VRAM be split between experts and the KV cache? We answer with MV-WSA (Marginal-Value Working-Set Allocation), which equalizes marginal latency benefit per byte subject to a KV admission floor. MV-WSA runs either as an offline configurator or as an online controller that resizes both pools while serving. In real serving the offline configurator is the only policy we test that does well on both prefill and decode; in trace-driven simulation it stays within a few percent of a per-workflow oracle while fixed splits are about 20% worse. The online controller adds a further 1.20x without changing model outputs.