Large language model (LLM) agents are increasingly used in trading systems, where model reasoning, tool use, and continual decisions incur costs that are expected to produce trading value. Existing evaluations typically report performance metrics, but rarely examine agentic viability: whether dynamic LLM-mediated decisions convert their induced costs into measurable incremental profit. To apply this criterion, we introduce TradeLens, a trace-grounded diagnostic toolkit for evaluating agentic trading systems from their trading records, runtime traces, and deployment configurations. It reconstructs trading trajectories, attributes profit and cost to interpretable evidence, and diagnoses whether and why an agent pays for its own intelligence. We conduct extensive analysis across backbone models, capital scales, trading frequencies, and system architectures, together with deployment discussion. Our results show that viability hinges on intelligence-to-profit conversion: models exhibit different failure patterns, such as poor asset selection in DeepSeek-V3.2 and negative timing in GLM-4.7, while capital scale, trading frequency, and architecture matter only by amplifying or degrading decision-attributed timing value. These findings reframe the evaluation of LLM-based trading agents from capability-centric performance ranking to trace-grounded diagnosis of intelligence-to-profit conversion. Our code is available at https://anonymous.4open.science/r/TradeLens.
Qiqi Duan, Changlun Li, Chen Wang et al.· 0 citations
Covalent inhibitors have garnered renewed attention in recent years, with their rational design becoming increasingly critical in drug discovery. Among the technologies facilitating the discovery of covalent inhibitors, covalent docking has emerged as a pivotal tool in various stages of drug development including virtual screening, lead optimization, and mechanistic studies. Since its inception as an extension of conventional docking methods in the early 2000s, covalent docking tools have undergone substantial advancements. This review provides a comprehensive overview of covalent docking algorithms, systematically categorizing their approaches according to covalent bond formation, which primarily include tethered docking, biased docking, and dynamic covalent docking approaches. A comparative analysis of current covalent docking tools is provided, alongside a critical discussion of remaining challenges. Special emphasis is placed on the growing impact of artificial intelligence (AI) in shaping novel methodologies and expanding the capabilities of covalent docking. Finally, we discuss prospects for advancing covalent docking methodologies and their applications in drug discovery.
Shi Li, Hongyan Du, Hui Zhang et al.· WIREs Computational Molecula...· 2 citations
This work introduces an advanced equivariant graph attention neural network specifically engineered to model long-range atomic electrostatic interactions with high precision, and improves the model's accuracy, generalization, and robustness in complex scenarios.
Qiaolin Gou, Qun Su, Ji-Ke Wang et al.· Journal of Chemical Informat...· 1 citation
Colorectal cancer (CRC) exhibits substantial molecular heterogeneity, necessitating the inference of subtype-specific driver genes and their interactions for drug-target discovery and precision oncology. Prior studies often fail to capture subtle, latent nonlinear regulatory mechanisms (dark causal relationships) driving tumor progression in specific subtypes. Here, we develop an explainable intelligence computational framework, Symbolic Trajectory-Embedded Dark Causal Interaction Inference (STE-DC2I), which combines symbolic trajectory embedding with historical prediction mechanisms to model nonmonotonic oscillatory dependencies between genes. Integrating single-cell transcriptomic and multiomics profiles from malignant epithelial subpopulations, STE-DC2I classifies CRC subtypes, reconstructs developmental trajectories, and uncovers interpretable subtype-specific driver genes with functional relevance. Unlike correlation-based and explicit causal approaches, STE-DC2I captures weak yet biologically critical regulatory signals, outperforming state-of-the-art methods in predicting subtype-specific CRC driver genes. Functional assays in CRC cell lines (in vitro) validated nine predicted driver genes, highlighting their therapeutic potential.This work systematically explores dark causal interactions between genes in CRC subtypes. STE-DC2I offers interpretable insights and a generalizable strategy for CRC drug-target discovery.
Meng Huang, Huijin Hu, Ming Li et al.· Journal of Chemical Informat...· 0 citations
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This Account describes a computational and AI-driven ecosystem for structure-based covalent drug discovery and dives into a suite of cutting-edge, AI-driven computational methods, exploring the potential of deep learning in tasks such as molecular docking, covalent binding site prediction, and lead optimization.
Shi Li, Hongyan Du, Xujun Zhang et al.· Accounts of Chemical Researc...· 4 citations
There is a number $\psi$ such that for all $\varepsilon>0$ the probability that the value of the output neuron is in $[\psi - \varepsilon, \psi + \varepsilon]$ tends to 1 as $n$ tends to infinity.
A critical analysis of tools and trust mark frameworks intended to operationalize trustworthy AI (TAI), drawing on a comprehensive dataset from the OECD identifies significant asymmetries in ethical focus, lifecycle coverage, stakeholder targeting, and tool typology.
Michael Papademas, Xenia Ziouvelou, K. Karpouzis et al.· arXiv.org· 0 citations
This research highlights the heightened threats to data integrity and stakeholder trust in these evolving ecosystems through an intensive examination of the literature, initiating a pioneering discourse emphasizing fostering a foundation for developing secure and trustworthy Liquid AI environments.
M. Agbese, Niko Mäkitalo, Muhammad Waseem et al.· IoT· 6 citations· ⚡1
An observational study of 20,574 coding-agent sessions from 1,639 repositories across IDE and CLI workflows operationalizes misalignment as a breakdown made visible through developer pushback, and annotates each episode along four axes: form, cause, cost, and resolution.
This work developed a methodological workflow using Item Response Theory to evaluate VLM and human rater proficiency against expert-established ground truth, suggesting that top-performing VLMs can approximate ground-truth ratings at levels comparable to human raters.
Lana Do, Gio Jung, J. F. Barajas et al.· 0 citations
It is shown that passive EEG, fused online with behavioral evidence, can meaningfully extend the number of targets users detect and engage beyond their unaided action bandwidth, and that OLIVE Pareto-dominates prior test-time adaptation frameworks, achieving the highest convergence rate at comparable convergence speed.
Co-Annotator is presented, which distills expert gaze and dictation into two guidance components: a gaze-aligned Vision Transformer producing fixation-aligned areas of interest (AOIs), and an ontology-bounded vision-language model (VLM) that pre-fills editable biomarker summaries for retinal optical coherence tomography (OCT).
ZihengLeoLi, Benjamin Freeman, Akshay Raman et al.· 0 citations
