Xujie Si

Zhaoyu Li, Jinpei Guo, Xujie Si · utoronto

Graph neural networks (GNNs) have recently emerged as a promising approach for solving the Boolean Satisfiability Problem (SAT), offering potential alternatives to traditional backtracking or local search SAT solvers. However, despite the growing volume of literature in this field, there remains a notable absence of a unified dataset and a fair benchmark to evaluate and compare existing approaches. To address this crucial gap, we present G4SATBench, the first benchmark study that establishes a comprehensive evaluation framework for GNN-based SAT solvers. In G4SATBench, we meticulously curate a large and diverse set of SAT datasets comprising 7 problems with 3 difficulty levels and benchmark a broad range of GNN models across various prediction tasks, training objectives, and inference algorithms. To explore the learning abilities and comprehend the strengths and limitations of GNN-based SAT solvers, we also compare their solving processes with the heuristics in search-based SAT solvers. Our empirical results provide valuable insights into the performance of GNN-based SAT solvers and further suggest that existing GNN models can effectively learn a solving strategy akin to greedy local search but struggle to learn backtracking search in the latent space. Our codebase is available at https://github.com/zhaoyu-li/G4SATBench.

Zhaoyu Li, Xujie Si · utoronto

We present the Neural Satisfiability Network (NSNet), a general neural framework that models satisfiability problems as probabilistic inference and meanwhile exhibits proper explainability. Inspired by the Belief Propagation (BP), NSNet uses a novel graph neural network (GNN) to parameterize BP in the latent space, where its hidden representations maintain the same probabilistic interpretation as BP. NSNet can be flexibly configured to solve both SAT and #SAT problems by applying different learning objectives. For SAT, instead of directly predicting a satisfying assignment, NSNet performs marginal inference among all satisfying solutions, which we empirically find is more feasible for neural networks to learn. With the estimated marginals, a satisfying assignment can be efficiently generated by rounding and executing a stochastic local search. For #SAT, NSNet performs approximate model counting by learning the Bethe approximation of the partition function. Our evaluations show that NSNet achieves competitive results in terms of inference accuracy and time efficiency on multiple SAT and #SAT datasets.

Chuqin Geng, Nham Le, Xiaojie Xu et al.

Having reliable specifications is an unavoidable challenge in achieving verifiable correctness, robustness, and interpretability of AI systems. Existing specifications for neural networks are in the paradigm of data as specification. That is, the local neighborhood centering around a reference input is considered to be correct (or robust). While existing specifications contribute to verifying adversarial robustness, a significant problem in many research domains, our empirical study shows that those verified regions are somewhat tight, and thus fail to allow verification of test set inputs, making them impractical for some real-world applications. To this end, we propose a new family of specifications called neural representation as specification, which uses the intrinsic information of neural networks - neural activation patterns (NAPs), rather than input data to specify the correctness and/or robustness of neural network predictions. We present a simple statistical approach to mining neural activation patterns. To show the effectiveness of discovered NAPs, we formally verify several important properties, such as various types of misclassifications will never happen for a given NAP, and there is no ambiguity between different NAPs. We show that by using NAP, we can verify a significant region of the input space, while still recalling 84% of the data on MNIST. Moreover, we can push the verifiable bound to 10 times larger on the CIFAR10 benchmark. Thus, we argue that NAPs can potentially be used as a more reliable and extensible specification for neural network verification.

Chuqin Geng, Yihan Zhang, Brigitte Pientka et al.

The recent introduction of ChatGPT has drawn significant attention from both industry and academia due to its impressive capabilities in solving a diverse range of tasks, including language translation, text summarization, and computer programming. Its capability for writing, modifying, and even correcting code together with its ease of use and access is already dramatically impacting computer science education. This paper aims to explore how well ChatGPT can perform in an introductory-level functional language programming course. In our systematic evaluation, we treated ChatGPT as one of our students and demonstrated that it can achieve a grade B- and its rank in the class is 155 out of 314 students overall. Our comprehensive evaluation provides valuable insights into ChatGPT's impact from both student and instructor perspectives. Additionally, we identify several potential benefits that ChatGPT can offer to both groups. Overall, we believe that this study significantly clarifies and advances our understanding of ChatGPT's capabilities and potential impact on computer science education.

Zhaoyu Li, Jinpei Guo, Yuhe Jiang et al. · utoronto

Bridging logical reasoning and deep learning is crucial for advanced AI systems. In this work, we present a new framework that addresses this goal by generating interpretable and verifiable logical rules through differentiable learning, without relying on pre-specified logical structures. Our approach builds upon SATNet, a differentiable MaxSAT solver that learns the underlying rules from input-output examples. Despite its efficacy, the learned weights in SATNet are not straightforwardly interpretable, failing to produce human-readable rules. To address this, we propose a novel specification method called "maximum equality", which enables the interchangeability between the learned weights of SATNet and a set of propositional logical rules in weighted MaxSAT form. With the decoded weighted MaxSAT formula, we further introduce several effective verification techniques to validate it against the ground truth rules. Experiments on stream transformations and Sudoku problems show that our decoded rules are highly reliable: using exact solvers on them could achieve 100% accuracy, whereas the original SATNet fails to give correct solutions in many cases. Furthermore, we formally verify that our decoded logical rules are functionally equivalent to the ground truth ones.

Chuqin Geng, Haolin Ye, Yixuan Li et al.

Strong static type systems help programmers eliminate many errors without much burden of supplying type annotations. However, this flexibility makes it highly non-trivial to diagnose ill-typed programs, especially for novice programmers. Compared to classic constraint solving and optimization-based approaches, the data-driven approach has shown great promise in identifying the root causes of type errors with higher accuracy. Instead of relying on hand-engineered features, this work explores natural language models for type error localization, which can be trained in an end-to-end fashion without requiring any features. We demonstrate that, for novice type error diagnosis, the language model-based approach significantly outperforms the previous state-of-the-art data-driven approach. Specifically, our model could predict type errors correctly 62% of the time, outperforming the state-of-the-art Nate's data-driven model by 11%, in a more rigorous accuracy metric. Furthermore, we also apply structural probes to explain the performance difference between different language models.

Zhaoyu Li, Jialiang Sun, Logan Murphy et al. · utoronto

Theorem proving is a fundamental aspect of mathematics, spanning from informal reasoning in natural language to rigorous derivations in formal systems. In recent years, the advancement of deep learning, especially the emergence of large language models, has sparked a notable surge of research exploring these techniques to enhance the process of theorem proving. This paper presents a comprehensive survey of deep learning for theorem proving by offering (i) a thorough review of existing approaches across various tasks such as autoformalization, premise selection, proofstep generation, and proof search; (ii) an extensive summary of curated datasets and strategies for synthetic data generation; (iii) a detailed analysis of evaluation metrics and the performance of state-of-the-art methods; and (iv) a critical discussion on the persistent challenges and the promising avenues for future exploration. Our survey aims to serve as a foundational reference for deep learning approaches in theorem proving, inspiring and catalyzing further research endeavors in this rapidly growing field. A curated list of papers is available at https://github.com/zhaoyu-li/DL4TP.

Chuqin Geng, Xiaojie Xu, Haolin Ye et al.

Just like weights, bias terms are the learnable parameters of many popular machine learning models, including neural networks. Biases are thought to enhance the representational power of neural networks, enabling them to solve a variety of tasks in computer vision. However, we argue that biases can be disregarded for some image-related tasks such as image classification, by considering the intrinsic distribution of images in the input space and desired model properties from first principles. Our findings suggest that zero-bias neural networks can perform comparably to biased networks for practical image classification tasks. We demonstrate that zero-bias neural networks possess a valuable property called scalar (multiplication) invariance. This means that the prediction of the network remains unchanged when the contrast of the input image is altered. We extend scalar invariance to more general cases, enabling formal verification of certain convex regions of the input space. Additionally, we prove that zero-bias neural networks are fair in predicting the zero image. Unlike state-of-the-art models that may exhibit bias toward certain labels, zero-bias networks have uniform belief in all labels. We believe dropping bias terms can be considered as a geometric prior in designing neural network architecture for image classification, which shares the spirit of adapting convolutions as the transnational invariance prior. The robustness and fairness advantages of zero-bias neural networks may also indicate a promising path towards trustworthy and ethical AI.

Bowen Li, Zhaoyu Li, Qiwei Du et al.

Recent years have witnessed the rapid development of Neuro-Symbolic (NeSy) AI systems, which integrate symbolic reasoning into deep neural networks. However, most of the existing benchmarks for NeSy AI fail to provide long-horizon reasoning tasks with complex multi-agent interactions. Furthermore, they are usually constrained by fixed and simplistic logical rules over limited entities, making them far from real-world complexities. To address these crucial gaps, we introduce LogiCity, the first simulator based on customizable first-order logic (FOL) for an urban-like environment with multiple dynamic agents. LogiCity models diverse urban elements using semantic and spatial concepts, such as IsAmbulance(X) and IsClose(X, Y). These concepts are used to define FOL rules that govern the behavior of various agents. Since the concepts and rules are abstractions, they can be universally applied to cities with any agent compositions, facilitating the instantiation of diverse scenarios. Besides, a key feature of LogiCity is its support for user-configurable abstractions, enabling customizable simulation complexities for logical reasoning. To explore various aspects of NeSy AI, LogiCity introduces two tasks, one features long-horizon sequential decision-making, and the other focuses on one-step visual reasoning, varying in difficulty and agent behaviors. Our extensive evaluation reveals the advantage of NeSy frameworks in abstract reasoning. Moreover, we highlight the significant challenges of handling more complex abstractions in long-horizon multi-agent scenarios or under high-dimensional, imbalanced data. With its flexible design, various features, and newly raised challenges, we believe LogiCity represents a pivotal step forward in advancing the next generation of NeSy AI. All the code and data are open-sourced at our website: https://jaraxxus-me.github.io/LogiCity/

Ian Berlot-Attwell, Frank Rudzicz, Xujie Si

Advances in Large Language Models (LLMs) have spurred a wave of LLM library learning systems for mathematical reasoning. These systems aim to learn a reusable library of tools, such as formal Isabelle lemmas or Python programs that are tailored to a family of tasks. Many of these systems are inspired by the human structuring of knowledge into reusable and extendable concepts, but do current methods actually learn reusable libraries of tools? We study two library learning systems for mathematics which both reported increased accuracy: LEGO-Prover and TroVE. We find that function reuse is extremely infrequent on miniF2F and MATH. Our followup ablation experiments suggest that, rather than reuse, self-correction and self-consistency are the primary drivers of the observed performance gains. Our code and data are available at https://github.com/ikb-a/curious-case

Si Cheng Zhong, Xujie Si

Recent advancements in large language models (LLMs) suggest great promises in code and proof generations. However, scaling automated formal verification to real-world projects requires resolving cross-module dependencies and global contexts, which are crucial challenges overlooked by existing LLM-based methods with a special focus on targeting isolated, function-level verification tasks. To systematically explore and address the significant challenges of verifying entire software repositories, we introduce RVBench, the first verification benchmark explicitly designed for repository-level evaluation, constructed from four diverse and complex open-source Verus projects. We further introduce RagVerus, an extensible framework that synergizes retrieval-augmented generation with context-aware prompting to automate proof synthesis for multi-module repositories. RagVerus triples proof pass rates on existing benchmarks under constrained model inference budgets, and achieves a 27% relative improvement on the more challenging RVBench benchmark, demonstrating a scalable and sample-efficient verification solution.

Honghua Dong, Jiacheng Yang, Xun Deng et al.

Type inference for dynamic languages like Python is a persistent challenge in software engineering. While large language models (LLMs) have shown promise in code understanding, their type inference capabilities remain underexplored. We introduce TypyBench, a benchmark designed to evaluate LLMs' type inference across entire Python repositories. TypyBench features two novel metrics: TypeSim, which captures nuanced semantic relationships between predicted and ground truth types, and TypeCheck, which assesses type consistency across codebases. Our evaluation of various LLMs on a curated dataset of 50 high-quality Python repositories reveals that, although LLMs achieve decent TypeSim scores, they struggle with complex nested types and exhibit significant type consistency errors. These findings suggest that future research should shift focus from improving type similarity to addressing repository-level consistency. TypyBench provides a foundation for this new direction, offering insights into model performance across different type complexities and usage contexts. Our code and data are available at https://github.com/typybench/typybench.

Ziyan Luo, Tianwei Ni, Pierre-Luc Bacon et al.

A key approach to state abstraction is approximating behavioral metrics (notably, bisimulation metrics) in the observation space and embedding these learned distances in the representation space. While promising for robustness to task-irrelevant noise, as shown in prior work, accurately estimating these metrics remains challenging, requiring various design choices that create gaps between theory and practice. Prior evaluations focus mainly on final returns, leaving the quality of learned metrics and the source of performance gains unclear. To systematically assess how metric learning works in deep reinforcement learning (RL), we evaluate five recent approaches, unified conceptually as isometric embeddings with varying design choices. We benchmark them with baselines across 20 state-based and 14 pixel-based tasks, spanning 370 task configurations with diverse noise settings. Beyond final returns, we introduce the evaluation of a denoising factor to quantify the encoder's ability to filter distractions. To further isolate the effect of metric learning, we propose and evaluate an isolated metric estimation setting, in which the encoder is influenced solely by the metric loss. Finally, we release an open-source, modular codebase to improve reproducibility and support future research on metric learning in deep RL.

Tara Saba, Anne Ouyang, Xujie Si et al.

High-performance GPU kernels are critical to modern machine learning systems, yet developing efficient implementations remains a challenging, expert-driven process due to the tight coupling between algorithmic structure, memory hierarchy usage, and hardware-specific optimizations. Recent work has explored using large language models (LLMs) to generate GPU kernels automatically, but generated implementations often struggle to maintain correctness and achieve competitive performance across iterative refinements. We present CuTeGen, an agentic framework for automated generation and optimization of GPU kernels that treats kernel development as a structured generate--test--refine workflow. Unlike approaches that rely on one-shot generation or large-scale search over candidate implementations, CuTeGen focuses on progressive refinement of a single evolving kernel through execution-based validation, structured debugging, and staged optimization. A key design choice is to generate kernels using the CuTe abstraction layer, which exposes performance-critical structures such as tiling and data movement while providing a more stable representation for iterative modification. To guide performance improvement, CuTeGen incorporates workload-aware optimization prompts and delayed integration of profiling feedback. Experimental results on matrix multiplication and activation workloads demonstrate that the framework produces functionally correct kernels and achieves competitive performance relative to optimized library implementations.

Chuqin Geng, Li Zhang, Mark Zhang et al.

We challenge black-box purely deep neural approaches for molecules and graph generation, which are limited in controllability and lack formal guarantees. We introduce Neuro-Symbolic Graph Generative Modeling (NSGGM), a neurosymbolic framework that reapproaches molecule generation as a scaffold and interaction learning task with symbolic assembly. An autoregressive neural model proposes scaffolds and refines interaction signals, and a CPU-efficient SMT solver constructs full graphs while enforcing chemical validity, structural rules, and user-specific constraints, yielding molecules that are correct by construction and interpretable control that pure neural methods cannot provide. NSGGM delivers strong performance on both unconstrained generation and constrained generation tasks, demonstrating that neuro-symbolic modeling can match state-of-the-art generative performance while offering explicit controllability and guarantees. To evaluate more nuanced controllability, we also introduce a Logical-Constraint Molecular Benchmark, designed to test strict hard-rule satisfaction in workflows that require explicit, interpretable specifications together with verifiable compliance.

Chuqin Geng, Li Zhang, Haolin Ye et al.

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they often rely on standard message-passing backbones that inherit fundamental limitations, including the 1-Weisfeiler-Lehman (1-WL) expressivity barrier and a lack of fine-grained interpretability. To address these challenges, we propose SymGraph, a symbolic framework designed to transcend these constraints. By replacing continuous message passing with discrete structural hashing and topological role-based aggregation, our architecture theoretically surpasses the 1-WL barrier, achieving superior expressiveness without the overhead of differentiable optimization. Extensive empirical evaluations demonstrate that SymGraph achieves state-of-the-art performance, outperforming existing self-explainable GNNs. Notably, SymGraph delivers 10x to 100x speedups in training time using only CPU execution. Furthermore, SymGraph generates rules with superior semantic granularity compared to existing rule-based methods, offering great potential for scientific discovery and explainable AI.

Victor Barres, Honghua Dong, Soham Ray et al.

Existing benchmarks for conversational AI agents simulate single-control environments, where only the AI agent can use tools to interact with the world, while the user remains a passive information provider. This differs from real-world scenarios like technical support, where users need to actively participate in modifying the state of the (shared) world. In order to address this gap, we introduce $τ^2$-bench, with four key contributions: 1) A novel Telecom dual-control domain modeled as a Dec-POMDP, where both agent and user make use of tools to act in a shared, dynamic environment that tests both agent coordination and communication, 2) A compositional task generator that programmatically creates diverse, verifiable tasks from atomic components, ensuring domain coverage and controlled complexity, 3) A reliable user simulator tightly coupled with the environment, whose behavior is constrained by tools and observable states, improving simulation fidelity, 4) Fine-grained analysis of agent performance through multiple ablations including separating errors arising from reasoning vs communication/coordination. In particular, our experiments show significant performance drops when agents shift from no-user to dual-control, highlighting the challenges of guiding users. Overall, $τ^2$-bench provides a controlled testbed for agents that must both reason effectively and guide user actions.

Sheza Munir, Ahanaf Rodoshi, Sumin Lee et al.

Standard methods for aggregating natural language judgments, such as majority voting, often fail to produce logically consistent results when applied to high-conflict domains, treating differing opinions as noise. We propose a neuro-symbolic aggregation framework that formalizes conflict resolution through Weighted Maximum Satisfiability (MaxSAT). Our pipeline utilizes a language model to map unstructured natural language explanations into interpretable logical predicates and confidence weights. These components are then encoded as soft constraints within the Z3 solver, transforming the aggregation problem into an optimization task that seeks the maximum consistency across conflicting testimony. Using the Reddit r/AmItheAsshole forum as a case study in large-scale moral disagreement, our system generates logically coherent verdicts that diverge from popularity-based labels 62% of the time, corroborated by an 86% agreement rate with independent human evaluators. This study demonstrates the efficacy of coupling neural semantic extraction with formal solvers to enforce logical soundness and explainability in the aggregation of noisy human reasoning.

Youyuan Zhang, Jialiang Sun, Hangrui Bi et al.

We introduce DreamProver, an agentic framework that leverages a "wake-sleep" program induction paradigm to discover reusable lemmas for formal theorem proving. Existing approaches either rely on fixed lemma libraries, which limit adaptability, or synthesize highly specific intermediate lemmas tailored to individual theorems, thereby lacking generality. DreamProver addresses this gap through an iterative two-stage process. In the wake stage, DreamProver attempts to prove theorems from a training set using the current lemma library while proposing new candidate lemmas. In the "sleep" stage, it abstracts, refines, and consolidates these candidates to compress and optimize the library. Through this alternating cycle, DreamProver progressively evolves a compact set of high-level, transferable lemmas that can be effectively used to prove unseen theorems in related domains. Experimental results demonstrate that DreamProver substantially improves proof success rates across a diverse set of mathematical benchmarks, while also producing more concise proofs and reducing computational cost.

Zenan Li, Zhaoyu Li, Wen Tang et al. · utoronto

Large language models (LLMs) can prove mathematical theorems formally by generating proof steps (\textit{a.k.a.} tactics) within a proof system. However, the space of possible tactics is vast and complex, while the available training data for formal proofs is limited, posing a significant challenge to LLM-based tactic generation. To address this, we introduce a neuro-symbolic tactic generator that synergizes the mathematical intuition learned by LLMs with domain-specific insights encoded by symbolic methods. The key aspect of this integration is identifying which parts of mathematical reasoning are best suited to LLMs and which to symbolic methods. While the high-level idea of neuro-symbolic integration is broadly applicable to various mathematical problems, in this paper, we focus specifically on Olympiad inequalities (Figure~1). We analyze how humans solve these problems and distill the techniques into two types of tactics: (1) scaling, handled by symbolic methods, and (2) rewriting, handled by LLMs. In addition, we combine symbolic tools with LLMs to prune and rank the proof goals for efficient proof search. We evaluate our framework on 161 challenging inequalities from multiple mathematics competitions, achieving state-of-the-art performance and significantly outperforming existing LLM and symbolic approaches without requiring additional training data.

Barış Bayazıt, Yao Li, Xujie Si

Large language models (LLMs) can potentially help with verification using proof assistants by automating proofs. However, it is unclear how effective LLMs are in this task. In this paper, we perform a case study based on two mature Rocq projects: the hs-to-coq tool and Verdi. We evaluate the effectiveness of LLMs in generating proofs by both quantitative and qualitative analysis. Our study finds that: (1) external dependencies and context in the same source file can significantly help proof generation; (2) LLMs perform great on small proofs but can also generate large proofs; (3) LLMs perform differently on different verification projects; and (4) LLMs can generate concise and smart proofs, apply classical techniques to new definitions, but can also make odd mistakes.

Ian Berlot-Attwell, Frank Rudzicz, Xujie Si

Recent advancements in the coding, reasoning, and tool-using abilities of LLMs have spurred interest in library learning (i.e., online learning through the creation, storage, and retrieval of reusable and composable functions, knowledge, checklists, or lemmas). Such systems often promise improved task performance through the automatic creation of broadly applicable tools, as well as superior computational performance through the caching of reasoning (i.e., the storage of generated tools). However, we find strong reason to be skeptical. We perform a deep dive into one such system, LEGO-Prover, which purports to learn reusable lemmas for mathematical reasoning. We find no evidence of the direct reuse of learned lemmas, and find evidence against the soft reuse of learned lemmas (i.e., reuse by modifying relevant examples). Crucially, we find that LEGO-Prover does not in fact improve over the simple baseline of prompting the model - the improvements in task accuracy vanish once computational cost is accounted for. Our findings suggest that serious misconceptions exist as to the effectiveness of these techniques, that a serious re-examination of the state of LLM-based library learning is required, and that we require much stronger standards for evaluation including behavioural analysis and ensuring that an equal computational budget is used for baselines.

Chuqin Geng, Yuhe Jiang, Ziyu Zhao et al.

We propose a general framework called VisionLogic to extract interpretable logic rules from deep vision models, with a focus on image classification tasks. Given any deep vision model that uses a fully connected layer as the output head, VisionLogic transforms neurons in the last layer into predicates and grounds them into vision concepts using causal validation. In this way, VisionLogic can provide local explanations for single images and global explanations for specific classes in the form of logic rules. Compared to existing interpretable visualization tools such as saliency maps, VisionLogic addresses several key challenges, including the lack of causal explanations, overconfidence in visualizations, and ambiguity in interpretation. VisionLogic also facilitates the study of visual concepts encoded by predicates, particularly how they behave under perturbation -- an area that remains underexplored in the field of hidden semantics. Apart from providing better visual explanations and insights into the visual concepts learned by the model, we show that VisionLogic retains most of the neural network's discriminative power in an interpretable and transparent manner. We envision it as a bridge between complex model behavior and human-understandable explanations, providing trustworthy and actionable insights for real-world applications.

Chuqin Geng, Anqi Xing, Li Zhang et al.

Rule-based explanation methods offer rigorous and globally interpretable insights into neural network behavior. However, existing approaches are mostly limited to small fully connected networks and depend on costly layerwise rule extraction and substitution processes. These limitations hinder their generalization to more complex architectures such as Transformers. Moreover, existing methods produce shallow, decision-tree-like rules that fail to capture rich, high-level abstractions in complex domains like computer vision and natural language processing. To address these challenges, we propose NEUROLOGIC, a novel framework that extracts interpretable logical rules directly from deep neural networks. Unlike previous methods, NEUROLOGIC can construct logic rules over hidden predicates derived from neural representations at any chosen layer, in contrast to costly layerwise extraction and rewriting. This flexibility enables broader architectural compatibility and improved scalability. Furthermore, NEUROLOGIC supports richer logical constructs and can incorporate human prior knowledge to ground hidden predicates back to the input space, enhancing interpretability. We validate NEUROLOGIC on Transformer-based sentiment analysis, demonstrating its ability to extract meaningful, interpretable logic rules and provide deeper insights-tasks where existing methods struggle to scale.

Youyuan Zhang, Zehua Liu, Zenan Li et al. · utoronto

In this paper, we consider the conditional generation problem by guiding off-the-shelf unconditional diffusion models with differentiable loss functions in a plug-and-play fashion. While previous research has primarily focused on balancing the unconditional diffusion model and the guided loss through a tuned weight hyperparameter, we propose a novel framework that distinctly decouples these two components. Specifically, we introduce two variables ${x}$ and ${z}$, to represent the generated samples governed by the unconditional generation model and the guidance function, respectively. This decoupling reformulates conditional generation into two manageable subproblems, unified by the constraint ${x} = {z}$. Leveraging this setup, we develop a new algorithm based on the Alternating Direction Method of Multipliers (ADMM) to adaptively balance these components. Additionally, we establish the equivalence between the diffusion reverse step and the proximal operator of ADMM and provide a detailed convergence analysis of our algorithm under certain mild assumptions. Our experiments demonstrate that our proposed method ADMMDiff consistently generates high-quality samples while ensuring strong adherence to the conditioning criteria. It outperforms existing methods across a range of conditional generation tasks, including image generation with various guidance and controllable motion synthesis.

Zhiyang Chen, Tara Saba, Xun Deng et al.

Large Language Models (LLMs) have become critical to modern software development, but their reliance on uncurated web-scale datasets for training introduces a significant security risk: the absorption and reproduction of malicious content. To systematically evaluate this risk, we introduce Scam2Prompt, a scalable automated auditing framework that identifies the underlying intent of a scam site and then synthesizes innocuous, developer-style prompts that mirror this intent, allowing us to test whether an LLM will generate malicious code in response to these innocuous prompts. In a large-scale study of four production LLMs (GPT-4o, GPT-4o-mini, Llama-4-Scout, and DeepSeek-V3), we found that Scam2Prompt's innocuous prompts triggered malicious URL generation in 4.24% of cases. To test the persistence of this security risk, we constructed Innoc2Scam-bench, a benchmark of 1,559 innocuous prompts that consistently elicited malicious code from all four initial LLMs. When applied to seven additional production LLMs released in 2025, we found the vulnerability is not only present but severe, with malicious code generation rates ranging from 12.7% to 43.8%. Furthermore, existing safety measures like state-of-the-art guardrails proved insufficient to prevent this behavior, with an overall detection rate of less than 0.3%.

Chuqin Geng, Ziyu Zhao, Zhaoyue Wang et al.

Graph neural networks (GNNs) operate over both input feature spaces and combinatorial graph structures, making it challenging to understand the rationale behind their predictions. As GNNs gain widespread popularity and demonstrate success across various domains, such as drug discovery, studying their interpretability has become a critical task. To address this, many explainability methods have been proposed, with recent efforts shifting from instance-specific explanations to global concept-based explainability. However, these approaches face several limitations, such as relying on predefined concepts and explaining only a limited set of patterns. To address this, we propose a novel framework, LOGICXGNN, for extracting interpretable logic rules from GNNs. LOGICXGNN is model-agnostic, efficient, and data-driven, eliminating the need for predefined concepts. More importantly, it can serve as a rule-based classifier and even outperform the original neural models. Its interpretability facilitates knowledge discovery, as demonstrated by its ability to extract detailed and accurate chemistry knowledge that is often overlooked by existing methods. Another key advantage of LOGICXGNN is its ability to generate new graph instances in a controlled and transparent manner, offering significant potential for applications such as drug design. We empirically demonstrate these merits through experiments on real-world datasets such as MUTAG and BBBP.

Sicheng Zhong, Jiading Zhu, Yifang Tian et al.

Scaling automated formal verification to real-world projects requires resolving cross-module dependencies and global contexts, which are challenges overlooked by existing function-centric methods. We introduce RagVerus, a framework that synergizes retrieval-augmented generation with context-aware prompting to automate proof synthesis for multi-module repositories, achieving a 27% relative improvement on our novel RepoVBench benchmark -- the first repository-level dataset for Verus with 383 proof completion tasks. RagVerus triples proof pass rates on existing benchmarks under constrained language model budgets, demonstrating a scalable and sample-efficient verification.

Honghua Dong, Qidong Su, Yubo Gao et al.

Large Language Models (LLMs) have become increasingly capable of handling diverse tasks with the aid of well-crafted prompts and integration of external tools, but as task complexity rises, the workflow involving LLMs can be complicated and thus challenging to implement and maintain. To address this challenge, we propose APPL, A Prompt Programming Language that acts as a bridge between computer programs and LLMs, allowing seamless embedding of prompts into Python functions, and vice versa. APPL provides an intuitive and Python-native syntax, an efficient parallelized runtime with asynchronous semantics, and a tracing module supporting effective failure diagnosis and replaying without extra costs. We demonstrate that APPL programs are intuitive, concise, and efficient through three representative scenarios: Chain-of-Thought with self-consistency (CoT-SC), ReAct tool use agent, and multi-agent chat. Experiments on three parallelizable workflows further show that APPL can effectively parallelize independent LLM calls, with a significant speedup ratio that almost matches the estimation.

Chuqin Geng, Zhaoyue Wang, Haolin Ye et al.

Formal verification is only as good as the specification of a system, which is also true for neural network verification. Existing specifications follow the paradigm of data as specification, where the local neighborhood around a reference data point is considered correct or robust. While these specifications provide a fair testbed for assessing model robustness, they are too restrictive for verifying any unseen test data points, a challenging task with significant real-world implications. Recent work shows great promise through a new paradigm, neural representation as specification, which uses neural activation patterns (NAPs) for this purpose. However, it computes the most refined NAPs, which include many redundant neurons. In this paper, we study the following problem: Given a neural network, find a minimal (general) NAP specification that is sufficient for formal verification of its robustness properties. Finding the minimal NAP specification not only expands verifiable bounds but also provides insights into which set of neurons contributes to the model's robustness. To address this problem, we propose three approaches: conservative, statistical, and optimistic. Each of these methods offers distinct strengths and trade-offs in terms of minimality and computational speed, making them suitable for scenarios with different priorities. Notably, the optimistic approach can probe potential causal links between neurons and the robustness of large vision neural networks without relying on verification tools, a task existing methods struggle to scale. Our experiments show that minimal NAP specifications use far fewer neurons than those from previous work while expanding verifiable boundaries by several orders of magnitude.

Ziyan Luo, Xujie Si

Solving Constrained Horn Clauses (CHCs) is a fundamental challenge behind a wide range of verification and analysis tasks. Data-driven approaches show great promise in improving CHC solving without the painstaking manual effort of creating and tuning various heuristics. However, a large performance gap exists between data-driven CHC solvers and symbolic reasoning-based solvers. In this work, we develop a simple but effective framework, "Chronosymbolic Learning", which unifies symbolic information and numerical data points to solve a CHC system efficiently. We also present a simple instance of Chronosymbolic Learning with a data-driven learner and a BMC-styled reasoner. Despite its relative simplicity, experimental results show the efficacy and robustness of our tool. It outperforms state-of-the-art CHC solvers on a dataset consisting of 288 benchmarks, including many instances with non-linear integer arithmetics.

Hanwen Zhu, Junyoung Jang, Xujie Si

[THIS IS AN UNDERGRADUATE PROJECT] This paper discusses the effectiveness of the bug finder based on "micro-grammar".

Zhaoyu Li, Binghong Chen, Xujie Si

Interactive theorem proving is a challenging and tedious process, which requires non-trivial expertise and detailed low-level instructions (or tactics) from human experts. Tactic prediction is a natural way to automate this process. Existing methods show promising results on tactic prediction by learning a deep neural network (DNN) based model from proofs written by human experts. In this paper, we propose NeuroTactic, a novel extension with a special focus on improving the representation learning for theorem proving. NeuroTactic leverages graph neural networks (GNNs) to represent the theorems and premises, and applies graph contrastive learning for pre-training. We demonstrate that the representation learning of theorems is essential to predict tactics. Compared with other methods, NeuroTactic achieves state-of-the-art performance on the CoqGym dataset.

Sever Topan, David Rolnick, Xujie Si

Many experts argue that the future of artificial intelligence is limited by the field's ability to integrate symbolic logical reasoning into deep learning architectures. The recently proposed differentiable MAXSAT solver, SATNet, was a breakthrough in its capacity to integrate with a traditional neural network and solve visual reasoning problems. For instance, it can learn the rules of Sudoku purely from image examples. Despite its success, SATNet was shown to succumb to a key challenge in neurosymbolic systems known as the Symbol Grounding Problem: the inability to map visual inputs to symbolic variables without explicit supervision ("label leakage"). In this work, we present a self-supervised pre-training pipeline that enables SATNet to overcome this limitation, thus broadening the class of problems that SATNet architectures can solve to include datasets where no intermediary labels are available at all. We demonstrate that our method allows SATNet to attain full accuracy even with a harder problem setup that prevents any label leakage. We additionally introduce a proofreading method that further improves the performance of SATNet architectures, beating the state-of-the-art on Visual Sudoku.

Xujie Si, Yujia Li, Vinod Nair et al.

We propose prioritized unit propagation with periodic resetting, which is a simple but surprisingly effective algorithm for solving random SAT instances that are meant to be hard. In particular, an evaluation on the Random Track of the 2017 and 2018 SAT competitions shows that a basic prototype of this simple idea already ranks at second place in both years. We share this observation in the hope that it helps the SAT community better understand the hardness of random instances used in competitions and inspire other interesting ideas on SAT solving.

Xujie Si, Mukund Raghothaman, Kihong Heo et al.

The problem of learning logical rules from examples arises in diverse fields, including program synthesis, logic programming, and machine learning. Existing approaches either involve solving computationally difficult combinatorial problems, or performing parameter estimation in complex statistical models. In this paper, we present Difflog, a technique to extend the logic programming language Datalog to the continuous setting. By attaching real-valued weights to individual rules of a Datalog program, we naturally associate numerical values with individual conclusions of the program. Analogous to the strategy of numerical relaxation in optimization problems, we can now first determine the rule weights which cause the best agreement between the training labels and the induced values of output tuples, and subsequently recover the classical discrete-valued target program from the continuous optimum. We evaluate Difflog on a suite of 34 benchmark problems from recent literature in knowledge discovery, formal verification, and database query-by-example, and demonstrate significant improvements in learning complex programs with recursive rules, invented predicates, and relations of arbitrary arity.