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Bo Pan

Bo Pan contributes to research discovery and scholarly infrastructure.

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Published work

4 published item(s)

preprint2026arXiv

IGenBench: Benchmarking the Reliability of Text-to-Infographic Generation

Infographics are composite visual artifacts that combine data visualizations with textual and illustrative elements to communicate information. While recent text-to-image (T2I) models can generate aesthetically appealing images, their reliability in generating infographics remains unclear. Generated infographics may appear correct at first glance but contain easily overlooked issues, such as distorted data encoding or incorrect textual content. We present IGENBENCH, the first benchmark for evaluating the reliability of text-to-infographic generation, comprising 600 curated test cases spanning 30 infographic types. We design an automated evaluation framework that decomposes reliability verification into atomic yes/no questions based on a taxonomy of 10 question types. We employ multimodal large language models (MLLMs) to verify each question, yielding question-level accuracy (Q-ACC) and infographic-level accuracy (I-ACC). We comprehensively evaluate 10 state-of-the-art T2I models on IGENBENCH. Our systematic analysis reveals key insights for future model development: (i) a three-tier performance hierarchy with the top model achieving Q-ACC of 0.90 but I-ACC of only 0.49; (ii) data-related dimensions emerging as universal bottlenecks (e.g., Data Completeness: 0.21); and (iii) the challenge of achieving end-to-end correctness across all models. We release IGENBENCH at https://igen-bench.vercel.app/.

preprint2026arXiv

MolWorld: Molecule World Models for Actionable Molecular Optimization

Molecular optimization in drug discovery aims to discover molecules with improved target properties, but practical lead optimization often requires more than high predicted scores. A useful candidate should also be actionable: it should be reachable from known molecules through valid local structural transformations, so that it can be interpreted as a plausible revision within an evolving chemical series. Existing de novo and single-molecule optimization methods do not explicitly model such reachability, especially when both the target molecules and the intermediate molecules connecting them to known compounds are unknown. In this work, we formulate actionable molecular optimization as sequential expansion of a molecule-transfer graph, where nodes are molecules and edges encode valid local transformations. We propose MolWorld, a molecule world model-guided framework that treats the current molecule-transfer graph as an evolving search state. At each iteration, MolWorld selects local anchor contexts, generates candidate molecules conditioned on these contexts, evaluates their properties, and uses a learned world model to update the evolving molecule world by retaining admissible candidates and inserting them into the molecule-transfer graph. The expanded molecule world then guides subsequent optimization. Experiments on property optimization and docking-based tasks show that MolWorld discovers high-property molecules while maintaining substantially stronger structural connectivity, supporting actionable and sequential molecular design.

preprint2026arXiv

RelayGR: Scaling Long-Sequence Generative Recommendation via Cross-Stage Relay-Race Inference

Real-time recommender systems execute multi-stage cascades (retrieval, pre-processing, fine-grained ranking) under strict tail-latency SLOs, leaving only tens of milliseconds for ranking. Generative recommendation (GR) models can improve quality by consuming long user-behavior sequences, but in production their online sequence length is tightly capped by the ranking-stage P99 budget. We observe that the majority of GR tokens encode user behaviors that are independent of the item candidates, suggesting an opportunity to pre-infer a user-behavior prefix once and reuse it during ranking rather than recomputing it on the critical path. Realizing this idea at industrial scale is non-trivial: the prefix cache must survive across multiple pipeline stages before the final ranking instance is determined, the user population implies cache footprints far beyond a single device, and indiscriminate pre-inference would overload shared resources under high QPS. We present RelayGR, a production system that enables in-HBM relay-race inference for GR. RelayGR selectively pre-infers long-term user prefixes, keeps their KV caches resident in HBM over the request lifecycle, and ensures the subsequent ranking can consume them without remote fetches. RelayGR combines three techniques: 1) a sequence-aware trigger that admits only at-risk requests under a bounded cache footprint and pre-inference load, 2) an affinity-aware router that co-locates cache production and consumption by routing both the auxiliary pre-infer signal and the ranking request to the same instance, and 3) a memory-aware expander that uses server-local DRAM to capture short-term cross-request reuse while avoiding redundant reloads. We implement RelayGR on Huawei Ascend NPUs and evaluate it with real queries. Under a fixed P99 SLO, RelayGR supports up to 1.5$\times$ longer sequences and improves SLO-compliant throughput by up to 3.6$\times$.

preprint2026arXiv

Transformer-Based Approach for Automated Functional Group Replacement in Chemical Compounds

Functional group replacement is a pivotal approach in cheminformatics to enable the design of novel chemical compounds with tailored properties. Traditional methods for functional group removal and replacement often rely on rule-based heuristics, which can be limited in their ability to generate diverse and novel chemical structures. Recently, transformer-based models have shown promise in improving the accuracy and efficiency of molecular transformations, but existing approaches typically focus on single-step modeling, lacking the guarantee of structural similarity. In this work, we seek to advance the state of the art by developing a novel two-stage transformer model for functional group removal and replacement. Unlike one-shot approaches that generate entire molecules in a single pass, our method generates the functional group to be removed and appended sequentially, ensuring strict substructure-level modifications. Using a matched molecular pairs (MMPs) dataset derived from ChEMBL, we trained an encoder-decoder transformer model with SMIRKS-based representations to capture transformation rules effectively. Extensive evaluations demonstrate our method's ability to generate chemically valid transformations, explore diverse chemical spaces, and maintain scalability across varying search sizes.