Bang Liu
Publications
Justified or Just Convincing? Error Verifiability as a Dimension of LLM Quality
As LLMs are deployed in high-stakes settings, users must judge the correctness of individual responses, often relying on model-generated justifications such as reasoning chains or explanations. Yet, no standard measure exists for whether these justifications help users distinguish correct answers from incorrect ones. We formalize this idea as error verifiability and propose $v_{\text{bal}}$, a balanced metric that measures whether justifications enable raters to accurately assess answer correctness, validated against human raters who show high agreement. We find that neither common approaches, such as post-training and model scaling, nor more targeted interventions recommended improve verifiability. We introduce two methods that succeed at improving verifiability: reflect-and-rephrase (RR) for mathematical reasoning and oracle-rephrase (OR) for factual QA, both of which improve verifiability by incorporating domain-appropriate external information. Together, our results establish error verifiability as a distinct dimension of response quality that does not emerge from accuracy improvements alone and requires dedicated, domain-aware methods to address.
M^4olGen: Multi-Agent, Multi-Stage Molecular Generation under Precise Multi-Property Constraints
Generating molecules that satisfy precise numeric constraints over multiple physicochemical properties is critical and challenging. Although large language models (LLMs) are expressive, they struggle with precise multi-objective control and numeric reasoning without external structure and feedback. We introduce \textbf{M olGen}, a fragment-level, retrieval-augmented, two-stage framework for molecule generation under multi-property constraints. Stage I : Prototype generation: a multi-agent reasoner performs retrieval-anchored, fragment-level edits to produce a candidate near the feasible region. Stage II : RL-based fine-grained optimization: a fragment-level optimizer trained with Group Relative Policy Optimization (GRPO) applies one- or multi-hop refinements to explicitly minimize the property errors toward our target while regulating edit complexity and deviation from the prototype. A large, automatically curated dataset with reasoning chains of fragment edits and measured property deltas underpins both stages, enabling deterministic, reproducible supervision and controllable multi-hop reasoning. Unlike prior work, our framework better reasons about molecules by leveraging fragments and supports controllable refinement toward numeric targets. Experiments on generation under two sets of property constraints (QED, LogP, Molecular Weight and HOMO, LUMO) show consistent gains in validity and precise satisfaction of multi-property targets, outperforming strong LLMs and graph-based algorithms.