XLab

News from XLab.

News

Jul 31, 2026 New paper published in Journal of Cheminformatics: How Well Can Off-the-Shelf LLMs Elucidate Molecular Structures from Mass Spectra Using Chain-of-Thought Reasoning?
Jun 24, 2026 New preprint: Staying VIGILant: Mitigating Visual Laziness via Counterfactual Visual Alignment in MLLMs. Accepted to ECCV 2026.
Jun 09, 2026 New preprint on bioRxiv: ExplainBind: Explainable Physicochemical Determinants of Protein-Ligand Binding via Non-Covalent Interactions
May 02, 2026 New paper published in Genome Biology: EvoRMD: Integrating Biological Context and Evolutionary RNA Language Models for Interpretable Prediction of RNA Modifications.
Apr 04, 2026 New preprint: Not All Directions Matter: Toward Structured and Task-Aware Low-Rank Adaptation, accepted to ACL 2026.
Oct 03, 2025 New preprint: HyperAdaLoRA: Accelerating LoRA Rank Allocation During Training via Hypernetworks without Sacrificing Performance, accepted to ACL Findings 2026.

Mission

Micro-to-Macro Mechanistic AI Building AI that links micro-scale dynamics to macro-scale behavior — one principle, three research tracks.
TRACK IFundamental AI
From parameter dynamics to reliable model behavior
  1. 1Parameter DynamicsParameter sensitivity and structure; efficient, task-aware adaptation
  2. 2Multimodal UnderstandingVisual grounding and cross-modal reasoning
  3. 3Visual AlignmentCounterfactual alignment; mitigating visual laziness and modality bias
  4. 4Reliable AI SystemsRobust, efficient multimodal intelligence across tasks and domains
TRACK IILife Science
From molecular mechanisms to health outcomes
  1. 1Molecular MechanismsPhysicochemical drivers of binding, catalysis, and conformational change
  2. 2Cellular SystemsMolecular networks, pathways, regulation, and cell states
  3. 3Organismal MechanismsIntegrated physiology, disease, and treatment response
  4. 4Health OutcomesClinical and population-level diagnosis, prognosis, and intervention
TRACK IIIMaterials Science
From atomic interactions to materials discovery and impact
  1. 1Atomic InteractionsAtomic structure, bonding, electrons, and defects
  2. 2Structure–Property MechanismsSurfaces, phases, transport, and stability
  3. 3Materials Discovery & CatalysisML-potential–guided search and generative design
  4. 4Applications & ImpactMaterials for energy, environment, electronics, and beyond
OUR MISSION Understand mechanisms Shape behaviors Enable discovery