arXiv subjects

Shanda Li

Publications and source records attributed to Shanda Li.

At least 19 recordsLinked to original sources

arXiv2026

Harbor Adapters and Harbor-Index: Infrastructure and a Curated Meta-Dataset for Large-Scale Agentic Evaluation

Evaluating agents on the growing number of agentic benchmarks is challenging because they often require complex environments and agent integrations. We introduce Harbor Adapters, a unified evaluation infrastructure for agentic benchmarks. Our work makes three contributions. First, we develop benchmark adapters that port more than 80 benchmarks to evaluate arbitrary agents, and validate them through rigorous code review and parity experiments. Second, we conduct a large-scale evaluation of 8 models spanning capability tiers across 54 benchmarks; every model is run with Terminus-2 and with one of 3 native harnesses. This enables a broader analysis of agent capabilities and failure modes than was previously possible. Third, we introduce Harbor-Index, a curated set of 82 difficult, diverse, and high-quality tasks spanning 29 benchmarks, refined from the adapted suite through difficulty filtering, AI and human audit, and an audit-and-fix loop. Harbor-Index preserves the challenge and breadth of large-scale agentic evaluations while being affordable to run; no evaluated model-harness configuration exceeds 30% pass rate, and the strongest (GPT-5.5 with Codex) reaches 28.0%. We release the adapters, evaluation results, in-depth analysis, and Harbor-Index as open-source artifacts to support more reliable and comprehensive evaluation of language-model agents.

cs.AI↗

arXiv2026

Settling the Optimal Exponent Relating Sumsets and Difference Sets

For a finite nonempty subset $A$ of an abelian group, let $\sigma(A)=|A+A|/|A|$ and $\delta(A)=|A-A|/|A|$. The classical sum-difference inequalities state that $$\sigma(A)^{1/2}\leq\delta(A)\leq\sigma(A)^2.$$ The exponent $2$ in the second inequality is known to be optimal, whereas it has remained open whether the exponent $1/2$ in the first inequality can be improved. We settle this question by constructing an explicit family of finite sets $A_K\subset\mathbb{Z}$ such that $$\frac{\log\sigma(A_K)}{\log\delta(A_K)}\longrightarrow 2,$$ hence the exponent $1/2$ in the first inequality is also optimal. The construction and its proof were developed with the assistance of Hyra, an AI research agent based on the open-weights Hy3 model.

math.CO↗

arXiv2026

ReproRepo: Scaling Reproducibility Audits with GitHub Repository Issues

Reproducing research results from papers and released code is central to scientific progress. Existing works have introduced benchmarks to evaluate whether LLM agents can assist with reproducibility, but they are difficult to scale due to their reliance on substantial manual effort for data curation and evaluation. We introduce ReproRepo, a scalable framework for reproducibility evaluation that leverages human-raised GitHub issues as naturally occurring supervision on realistic reproduction blockers. We instantiate ReproRepo on 1,149 recent machine learning papers from major conferences and evaluate four frontier model-agent configurations. Our results show that LLM agents, even without executing code, can identify many real-world reproducibility problems from paper-repository pairs: the best agent in our study, namely Codex with GPT-5.5, surfaces at least one semantically related human-reported blocker for $\sim$90% of papers in the study. Further analysis shows that agents are particularly effective for surfacing visible failures and identifying the right semantic region, but may still be insufficient in exact localization. ReproRepo can serve as a reusable, scalable framework for future evaluations of LLM agents on real-world reproducibility auditing. Our code is released at https://github.com/LithiumDA/ReproRepo.

cs.CL↗

arXiv2026

Human agency in initial human-AI proof formalization workflows

For centuries, human mathematicians have written proofs to substantiate their mathematical arguments; yet, the ability to automatically verify the validity of proofs has long been a challenge. Advances in AI systems' ability to generate code and engage in increasingly high-level mathematical reasoning promise to transform people's ability to formalize and thereby verify proofs. While many works focus on benchmarking the current frontier, we instead study how people use these tools and apply agency in doing so. We conduct a mixed-methods analysis into the initial impact of AI on people's formalization workflows: what people claim they want, what they see as the barriers to those visions, and how they actually use and adapt AI in practice. A qualitative survey reveals that people's preferences are diverse, but with a general desire for AI assistance in formalization that preserves high-level human control and agency over the proof discovery process. To assess how people actually engage with AI for formalization, we conduct a controlled user study in which participants formalize informal math problems and their proofs, with and without AI, across a range of mathematical problems at varying levels of difficulty and domains. Despite limitations of the tools at the time for autoformalization, participants tended to attain higher formalization accuracy when allowed access to AI tools than when formalizing on their own, with most participants flexibly choosing to use multiple different AI tools. Taken together, our work sheds light on the early stages of AI integration into formalization workflows, involving an intimate interplay of human agency and AI engagement.

cs.AI↗

arXiv2026

Spend Less, Fit Better: Budget-Efficient Scaling Law Fitting via Active Experiment Selection

Scaling laws are used to plan multi-million-dollar training runs, but fitting those laws can itself cost millions. In modern large-scale workflows, assembling a sufficiently informative set of pilot experiments is already a major budget-allocation problem rather than a routine preprocessing step. We formulate scaling-law fitting as budget-aware sequential experimental design: given a finite pool of runnable experiments with heterogeneous costs, choose which runs to execute so as to maximize extrapolation accuracy in a high-cost target region. We propose $\mathrm{SL}^2$ (Scaling Laws, Spend Less), an uncertainty-aware method for sequentially allocating experimental budget toward the runs most useful for target-region extrapolation. Across a diverse benchmark of scaling-law tasks, $\mathrm{SL}^2$ outperforms classical design-based baselines, and often approaches the performance of fitting on the full experimental set while using only about 10\% of the total training budget. Our code is available at https://github.com/PlanarG/active-sl.

cs.LG↗

arXiv2026

Learn Hard Problems During RL with Reference Guided Fine-tuning

Reinforcement learning (RL) for mathematical reasoning can suffer from reward sparsity: for challenging problems, LLM fails to sample any correct trajectories, preventing RL from receiving meaningful positive feedback. At the same time, there often exist human-written reference solutions along with the problem (e.g., problems from AoPS), but directly fine-tuning on these solutions offers no benefit because models often cannot imitate human proofs that lie outside their own reasoning distribution. We introduce Reference-Guided Fine-Tuning (ReGFT), a simple and effective method that utilizes human-written reference solutions to synthesize positive trajectories on hard problems and train on them before RL. For each problem, we provide the model with a partial reference solution and let it generate its own reasoning trace, ensuring the resulting trajectories remain in the model's reasoning space while still benefiting from reference guidance. Fine-tuning on these reference-guided trajectories increases the number of solvable problems and produces a checkpoint that receives more positive rewards during RL. Across three benchmarks (AIME24, AIME25, BeyondAIME), ReGFT consistently improves supervised accuracy, accelerates DAPO training, and raises the final performance plateau of RL. Our results show that ReGFT effectively overcomes reward sparsity and unlocks stronger RL-based mathematical reasoning.

cs.LG↗

arXiv2026

Terminal-Bench: Benchmarking Agents on Hard, Realistic Tasks in Command Line Interfaces

AI agents may soon become capable of autonomously completing valuable, long-horizon tasks in diverse domains. Current benchmarks either do not measure real-world tasks, or are not sufficiently difficult to meaningfully measure frontier models. To this end, we present Terminal-Bench 2.0: a carefully curated hard benchmark composed of 89 tasks in computer terminal environments inspired by problems from real workflows. Each task features a unique environment, human-written solution, and comprehensive tests for verification. We show that frontier models and agents score less than 65\% on the benchmark and conduct an error analysis to identify areas for model and agent improvement. We publish the dataset and evaluation harness to assist developers and researchers in future work at https://www.tbench.ai/ .

cs.SE↗

arXiv2025

Scaling Latent Reasoning via Looped Language Models

Modern LLMs are trained to "think" primarily via explicit text generation, such as chain-of-thought (CoT), which defers reasoning to post-training and under-leverages pre-training data. We present and open-source Ouro, named after the recursive Ouroboros, a family of pre-trained Looped Language Models (LoopLM) that instead build reasoning into the pre-training phase through (i) iterative computation in latent space, (ii) an entropy-regularized objective for learned depth allocation, and (iii) scaling to 7.7T tokens. Ouro 1.4B and 2.6B models enjoy superior performance that match the results of up to 12B SOTA LLMs across a wide range of benchmarks. Through controlled experiments, we show this advantage stems not from increased knowledge capacity, but from superior knowledge manipulation capabilities. We also show that LoopLM yields reasoning traces more aligned with final outputs than explicit CoT. We hope our results show the potential of LoopLM as a novel scaling direction in the reasoning era. Our model is available here: http://ouro-llm.github.io.

cs.CL↗

arXiv2025

CoMind: Towards Community-Driven Agents for Machine Learning Engineering

Large language model (LLM) agents show promise in automating machine learning (ML) engineering. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where human researchers often gain insights and contribute by sharing knowledge. To bridge this gap, we introduce MLE-Live, a live evaluation framework designed to assess an agent's ability to communicate with and leverage collective knowledge from a simulated Kaggle research community. Building on this framework, we propose CoMind, a multi-agent system designed to systematically leverage external knowledge. CoMind employs an iterative parallel exploration mechanism, developing multiple solutions simultaneously to balance exploratory breadth with implementation depth. On 75 past Kaggle competitions within our MLE-Live framework, CoMind achieves a 36% medal rate, establishing a new state of the art. Critically, when deployed in eight live, ongoing competitions, CoMind outperforms 92.6% of human competitors on average, placing in the top 5% on three official leaderboards and the top 1% on one.

cs.AI↗

arXiv2025

Maximal Update Parametrization and Zero-Shot Hyperparameter Transfer for Fourier Neural Operators

Fourier Neural Operators (FNOs) offer a principled approach for solving complex partial differential equations (PDEs). However, scaling them to handle more complex PDEs requires increasing the number of Fourier modes, which significantly expands the number of model parameters and makes hyperparameter tuning computationally impractical. To address this, we introduce $\mu$Transfer-FNO, a zero-shot hyperparameter transfer technique that enables optimal configurations, tuned on smaller FNOs, to be directly applied to billion-parameter FNOs without additional tuning. Building on the Maximal Update Parametrization ($\mu$P) framework, we mathematically derive a parametrization scheme that facilitates the transfer of optimal hyperparameters across models with different numbers of Fourier modes in FNOs, which is validated through extensive experiments on various PDEs. Our empirical study shows that Transfer-FNO reduces computational cost for tuning hyperparameters on large FNOs while maintaining or improving accuracy.

cs.LG↗

arXiv2025

Sample Complexity and Representation Ability of Test-time Scaling Paradigms

Test-time scaling paradigms have significantly advanced the capabilities of large language models (LLMs) on complex tasks. Despite their empirical success, theoretical understanding of the sample efficiency of various test-time strategies -- such as self-consistency, best-of-$n$, and self-correction -- remains limited. In this work, we first establish a separation result between two repeated sampling strategies: self-consistency requires $\Theta(1/\Delta^2)$ samples to produce the correct answer, while best-of-$n$ only needs $\Theta(1/\Delta)$, where $\Delta < 1$ denotes the probability gap between the correct and second most likely answers. Next, we present an expressiveness result for the self-correction approach with verifier feedback: it enables Transformers to simulate online learning over a pool of experts at test time. Therefore, a single Transformer architecture can provably solve multiple tasks without prior knowledge of the specific task associated with a user query, extending the representation theory of Transformers from single-task to multi-task settings. Finally, we empirically validate our theoretical results, demonstrating the practical effectiveness of self-correction methods.

cs.LG↗

arXiv2025

FrontierCO: Real-World and Large-Scale Evaluation of Machine Learning Solvers for Combinatorial Optimization

Machine learning (ML) has shown promise for tackling combinatorial optimization (CO), but much of the reported progress relies on small-scale, synthetic benchmarks that fail to capture real-world structure and scale. A core limitation is that ML methods are typically trained and evaluated on synthetic instance generators, leaving open how they perform on irregular, competition-grade, or industrial datasets. We present FrontierCO, a benchmark for evaluating ML-based CO solvers under real-world structure and extreme scale. FrontierCO spans eight CO problems, including routing, scheduling, facility location, and graph problems, with instances drawn from competitions and public repositories (e.g., DIMACS, TSPLib). Each task provides both easy sets (historically challenging but now solvable) and hard sets (open or computationally intensive), alongside standardized training/validation resources. Using FrontierCO, we evaluate 16 representative ML solvers--graph neural approaches, hybrid neural-symbolic methods, and LLM-based agents--against state-of-the-art classical solvers. We find a persistent performance gap that widens under structurally challenging and large instance sizes (e.g., TSP up to 10M nodes; MIS up to 8M), while also identifying cases where ML methods outperform classical solvers. By centering evaluation on real-world structure and orders-of-magnitude larger instances, FrontierCO provides a rigorous basis for advancing ML for CO. Our benchmark is available at https://huggingface.co/datasets/CO-Bench/FrontierCO.

cs.LG↗

arXiv2025

CodePDE: An Inference Framework for LLM-driven PDE Solver Generation

Partial differential equations (PDEs) are fundamental to modeling physical systems, yet solving them remains a complex challenge. Traditional numerical solvers rely on expert knowledge to implement and are computationally expensive, while neural-network-based solvers require large training datasets and often lack interpretability. In this work, we frame PDE solving as a code generation task and introduce CodePDE, the first inference framework for generating PDE solvers using large language models (LLMs). With CodePDE, we present a thorough evaluation on critical capacities of LLM for PDE solving: reasoning, debugging, self-refinement, and test-time scaling. CodePDE shows that, with advanced inference-time algorithms and scaling strategies, LLMs can achieve strong performance across a range of representative PDE problems. We also identify novel insights into LLM-driven solver generation, such as trade-offs between solver reliability and sophistication, design principles for LLM-powered PDE solving agents, and failure modes for LLM on hard tasks. These insights offer guidance for building more capable and reliable LLM-based scientific engines.

cs.LG↗

arXiv2025

CO-Bench: Benchmarking Language Model Agents in Algorithm Search for Combinatorial Optimization

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential in tackling structured, constraint-intensive problems -- a pursuit currently limited by the absence of comprehensive benchmarks for systematic investigation. To address this, we introduce CO-Bench, a benchmark suite featuring 36 real-world CO problems drawn from a broad range of domains and complexity levels. CO-Bench includes structured problem formulations and curated data to support rigorous investigation of LLM agents. We evaluate multiple agentic frameworks against established human-designed algorithms, revealing the strengths and limitations of existing LLM agents and identifying promising directions for future research. CO-Bench is publicly available at https://github.com/sunnweiwei/CO-Bench.

cs.CL↗

arXiv2025

TFG-Flow: Training-free Guidance in Multimodal Generative Flow

Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. As a highly efficient technique for steering generative models toward flexible outcomes, training-free guidance has gained increasing attention in diffusion models. However, existing methods only handle data in continuous spaces, while many scientific applications involve both continuous and discrete data (referred to as multimodality). Another emerging trend is the growing use of the simple and general flow matching framework in building generative foundation models, where guided generation remains under-explored. To address this, we introduce TFG-Flow, a novel training-free guidance method for multimodal generative flow. TFG-Flow addresses the curse-of-dimensionality while maintaining the property of unbiased sampling in guiding discrete variables. We validate TFG-Flow on four molecular design tasks and show that TFG-Flow has great potential in drug design by generating molecules with desired properties.

cs.LG↗

arXiv2024

Inference Scaling Laws: An Empirical Analysis of Compute-Optimal Inference for Problem-Solving with Language Models

While the scaling laws of large language models (LLMs) training have been extensively studied, optimal inference configurations of LLMs remain underexplored. We study inference scaling laws (aka test-time scaling laws) and compute-optimal inference, focusing on the trade-offs between model sizes and generating additional tokens with different inference strategies. As a first step towards understanding and designing compute-optimal inference methods, we studied cost-performance trade-offs for inference strategies such as greedy search, majority voting, best-of-$n$, weighted voting, and two different tree search algorithms, using different model sizes and compute budgets. Our findings suggest that scaling inference compute with inference strategies can be more computationally efficient than scaling model parameters. Additionally, smaller models combined with advanced inference algorithms offer Pareto-optimal trade-offs in cost and performance. For example, the Llemma-7B model, when paired with our novel tree search algorithm, consistently outperforms the Llemma-34B model across all tested inference strategies on the MATH benchmark. We hope these insights contribute to a deeper understanding of inference scaling laws (test-time scaling laws) for LLMs.

cs.AI↗

arXiv2023

Functional Interpolation for Relative Positions Improves Long Context Transformers

Preventing the performance decay of Transformers on inputs longer than those used for training has been an important challenge in extending the context length of these models. Though the Transformer architecture has fundamentally no limits on the input sequence lengths it can process, the choice of position encoding used during training can limit the performance of these models on longer inputs. We propose a novel functional relative position encoding with progressive interpolation, FIRE, to improve Transformer generalization to longer contexts. We theoretically prove that this can represent some of the popular relative position encodings, such as T5's RPE, Alibi, and Kerple. We next empirically show that FIRE models have better generalization to longer contexts on both zero-shot language modeling and long text benchmarks.

cs.LG↗

arXiv2023

Learning a Fourier Transform for Linear Relative Positional Encodings in Transformers

We propose a new class of linear Transformers called FourierLearner-Transformers (FLTs), which incorporate a wide range of relative positional encoding mechanisms (RPEs). These include regular RPE techniques applied for sequential data, as well as novel RPEs operating on geometric data embedded in higher-dimensional Euclidean spaces. FLTs construct the optimal RPE mechanism implicitly by learning its spectral representation. As opposed to other architectures combining efficient low-rank linear attention with RPEs, FLTs remain practical in terms of their memory usage and do not require additional assumptions about the structure of the RPE mask. Besides, FLTs allow for applying certain structural inductive bias techniques to specify masking strategies, e.g. they provide a way to learn the so-called local RPEs introduced in this paper and give accuracy gains as compared with several other linear Transformers for language modeling. We also thoroughly test FLTs on other data modalities and tasks, such as image classification, 3D molecular modeling, and learnable optimizers. To the best of our knowledge, for 3D molecular data, FLTs are the first Transformer architectures providing linear attention and incorporating RPE masking.

cs.LG↗