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Jul 2

UCoder: Unsupervised Code Generation by Internal Probing of Large Language Models

Large language models (LLMs) have demonstrated remarkable capabilities in code generation tasks. However, their effectiveness heavily relies on supervised training with extensive labeled (e.g., question-answering pairs) or unlabeled datasets (e.g., code snippets), which are often expensive and difficult to obtain at scale. To address this limitation, this paper introduces a method IPC, an unsupervised framework that leverages Internal Probing of LLMs for Code generation without any external corpus, even unlabeled code snippets. We introduce the problem space probing, test understanding probing, solution space probing, and knowledge consolidation and reinforcement to probe the internal knowledge and confidence patterns existing in LLMs. Further, IPC identifies reliable code candidates through self-consistency mechanisms and representation-based quality estimation to train UCoder (coder with unsupervised learning). We validate the proposed approach across multiple code benchmarks, demonstrating that unsupervised methods can achieve competitive performance compared to supervised approaches while significantly reducing the dependency on labeled data and computational resources. Analytic experiments reveal that internal model states contain rich signals about code quality and correctness, and that properly harnessing these signals enables effective unsupervised learning for code generation tasks, opening new directions for training code LLMs in resource-constrained scenarios.

  • 9 authors
·
Dec 19, 2025 2

RegexPSPACE: A Benchmark for Evaluating LLM Reasoning on PSPACE-complete Regex Problems

Large language models (LLMs) show strong performance across natural language processing (NLP), mathematical reasoning, and programming, and recent large reasoning models (LRMs) further emphasize explicit reasoning. Yet their computational limits, particularly spatial complexity constrained by finite context windows, remain poorly understood. While recent works often focus on problems within the NP complexity class, we push the boundary by introducing a novel benchmark grounded in two PSPACE-complete regular expression (regex) problems: equivalence decision (RegexEQ) and minimization (RegexMin). PSPACE-complete problems serve as a more rigorous standard for assessing computational capacity, as their solutions require massive search space exploration. We perform a double-exponential space exploration to construct a labeled dataset of over a million regex instances with a sound filtering process to build the benchmark. We conduct extensive evaluations on 6 LLMs and 5 LRMs of varying scales, revealing common failure patterns such as verbosity and repetition. With its well-defined structure and quantitative evaluation metrics, this work presents the first empirical investigation into the spatial computational limitations of LLMs and LRMs, offering a new framework for evaluating their advanced reasoning capabilities. Our code is available at https://github.com/hyundong98/RegexPSPACE .

  • 3 authors
·
Oct 10, 2025

Attention, Please! Revisiting Attentive Probing for Masked Image Modeling

As fine-tuning (FT) becomes increasingly impractical at scale, probing is emerging as the preferred evaluation protocol for self-supervised learning (SSL). Yet, the standard linear probing (LP) fails to adequately reflect the potential of models trained with Masked Image Modeling (MIM), due to the distributed nature of patch tokens. This motivates the need for attentive probing, an alternative that uses attention to selectively aggregate patch-level features. Despite its growing adoption, attentive probing remains under-explored, with existing methods suffering from excessive parameterization and poor computational efficiency. In this work, we revisit attentive probing through the lens of the accuracy-efficiency trade-off. We conduct a systematic study of existing methods, analyzing their mechanisms and benchmarking their performance. We introduce efficient probing (EP), a multi-query cross-attention mechanism that eliminates redundant projections, reduces the number of trainable parameters, and achieves up to a 10times speed-up over conventional multi-head attention. Despite its simplicity, EP outperforms LP and prior attentive probing approaches across seven benchmarks, generalizes well beyond MIM to diverse pre-training paradigms, produces interpretable attention maps, and achieves strong gains in low-shot and layer-wise settings. Code available at https://github.com/billpsomas/efficient-probing.

  • 9 authors
·
Jun 11, 2025 2

Navigating Ideation Space: Decomposed Conceptual Representations for Positioning Scientific Ideas

Scientific discovery is a cumulative process and requires new ideas to be situated within an ever-expanding landscape of existing knowledge. An emerging and critical challenge is how to identify conceptually relevant prior work from rapidly growing literature, and assess how a new idea differentiates from existing research. Current embedding approaches typically conflate distinct conceptual aspects into single representations and cannot support fine-grained literature retrieval; meanwhile, LLM-based evaluators are subject to sycophancy biases, failing to provide discriminative novelty assessment. To tackle these challenges, we introduce the Ideation Space, a structured representation that decomposes scientific knowledge into three distinct dimensions, i.e., research problem, methodology, and core findings, each learned through contrastive training. This framework enables principled measurement of conceptual distance between ideas, and modeling of ideation transitions that capture the logical connections within a proposed idea. Building upon this representation, we propose a Hierarchical Sub-Space Retrieval framework for efficient, targeted literature retrieval, and a Decomposed Novelty Assessment algorithm that identifies which aspects of an idea are novel. Extensive experiments demonstrate substantial improvements, where our approach achieves Recall@30 of 0.329 (16.7% over baselines), our ideation transition retrieval reaches Hit Rate@30 of 0.643, and novelty assessment attains 0.37 correlation with expert judgments. In summary, our work provides a promising paradigm for future research on accelerating and evaluating scientific discovery.

  • 4 authors
·
Jan 13

Illuminating search spaces by mapping elites

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

  • 2 authors
·
Apr 19, 2015

Hyperdimensional Probe: Decoding LLM Representations via Vector Symbolic Architectures

Despite their capabilities, Large Language Models (LLMs) remain opaque with limited understanding of their internal representations. Current interpretability methods, such as direct logit attribution (DLA) and sparse autoencoders (SAEs), provide restricted insight due to limitations such as the model's output vocabulary or unclear feature names. This work introduces Hyperdimensional Probe, a novel paradigm for decoding information from the LLM vector space. It combines ideas from symbolic representations and neural probing to project the model's residual stream into interpretable concepts via Vector Symbolic Architectures (VSAs). This probe combines the strengths of SAEs and conventional probes while overcoming their key limitations. We validate our decoding paradigm with controlled input-completion tasks, probing the model's final state before next-token prediction on inputs spanning syntactic pattern recognition, key-value associations, and abstract inference. We further assess it in a question-answering setting, examining the state of the model both before and after text generation. Our experiments show that our probe reliably extracts meaningful concepts across varied LLMs, embedding sizes, and input domains, also helping identify LLM failures. Our work advances information decoding in LLM vector space, enabling extracting more informative, interpretable, and structured features from neural representations.

  • 5 authors
·
Sep 29, 2025 2

Chain of Tools: Large Language Model is an Automatic Multi-tool Learner

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, empowering them to solve practical tasks. Existing work typically empowers LLMs as tool users with a manually designed workflow, where the LLM plans a series of tools in a step-by-step manner, and sequentially executes each tool to obtain intermediate results until deriving the final answer. However, they suffer from two challenges in realistic scenarios: (1) The handcrafted control flow is often ad-hoc and constraints the LLM to local planning; (2) The LLM is instructed to use only manually demonstrated tools or well-trained Python functions, which limits its generalization to new tools. In this work, we first propose Automatic Tool Chain (ATC), a framework that enables the LLM to act as a multi-tool user, which directly utilizes a chain of tools through programming. To scale up the scope of the tools, we next propose a black-box probing method. This further empowers the LLM as a tool learner that can actively discover and document tool usages, teaching themselves to properly master new tools. For a comprehensive evaluation, we build a challenging benchmark named ToolFlow, which diverges from previous benchmarks by its long-term planning scenarios and complex toolset. Experiments on both existing datasets and ToolFlow illustrate the superiority of our framework. Analysis on different settings also validates the effectiveness and the utility of our black-box probing algorithm.

  • 10 authors
·
May 26, 2024

Building Production-Ready Probes For Gemini

Frontier language model capabilities are improving rapidly. We thus need stronger mitigations against bad actors misusing increasingly powerful systems. Prior work has shown that activation probes may be a promising misuse mitigation technique, but we identify a key remaining challenge: probes fail to generalize under important production distribution shifts. In particular, we find that the shift from short-context to long-context inputs is difficult for existing probe architectures. We propose several new probe architecture that handle this long-context distribution shift. We evaluate these probes in the cyber-offensive domain, testing their robustness against various production-relevant shifts, including multi-turn conversations, static jailbreaks, and adaptive red teaming. Our results demonstrate that while multimax addresses context length, a combination of architecture choice and training on diverse distributions is required for broad generalization. Additionally, we show that pairing probes with prompted classifiers achieves optimal accuracy at a low cost due to the computational efficiency of probes. These findings have informed the successful deployment of misuse mitigation probes in user-facing instances of Gemini, Google's frontier language model. Finally, we find early positive results using AlphaEvolve to automate improvements in both probe architecture search and adaptive red teaming, showing that automating some AI safety research is already possible.

  • 7 authors
·
Jan 16 3

Supervised Chain of Thought

Large Language Models (LLMs) have revolutionized natural language processing and hold immense potential for advancing Artificial Intelligence. However, the core architecture of most mainstream LLMs -- the Transformer -- has inherent limitations in computational depth, rendering them theoretically incapable of solving many reasoning tasks that demand increasingly deep computations. Chain of Thought (CoT) prompting has emerged as a technique to address these architectural limitations, as evidenced by several theoretical studies. It offers a promising approach to solving complex reasoning tasks that were previously beyond the capabilities of these models. Despite its successes, CoT and its variants (such as Tree of Thought, Graph of Thought, etc.) rely on a "one-prompt-for-all" approach, using a single prompt structure (e.g., "think step by step") for a wide range of tasks -- from counting and sorting to solving mathematical and algorithmic problems. This approach poses significant challenges for models to generate the correct reasoning steps, as the model must navigate through a vast prompt template space to find the appropriate template for each task. In this work, we build upon previous theoretical analyses of CoT to demonstrate how the one-prompt-for-all approach can negatively affect the computability of LLMs. We partition the solution search space into two: the prompt space and the answer space. Our findings show that task-specific supervision is essential for navigating the prompt space accurately and achieving optimal performance. Through experiments with state-of-the-art LLMs, we reveal a gap in reasoning performance when supervision is applied versus when it is not.

  • 2 authors
·
Oct 18, 2024

Learning on Model Weights using Tree Experts

The number of publicly available models is rapidly increasing, yet most remain undocumented. Users looking for suitable models for their tasks must first determine what each model does. Training machine learning models to infer missing documentation directly from model weights is challenging, as these weights often contain significant variation unrelated to model functionality (denoted nuisance). Here, we identify a key property of real-world models: most public models belong to a small set of Model Trees, where all models within a tree are fine-tuned from a common ancestor (e.g., a foundation model). Importantly, we find that within each tree there is less nuisance variation between models. Concretely, while learning across Model Trees requires complex architectures, even a linear classifier trained on a single model layer often works within trees. While effective, these linear classifiers are computationally expensive, especially when dealing with larger models that have many parameters. To address this, we introduce Probing Experts (ProbeX), a theoretically motivated and lightweight method. Notably, ProbeX is the first probing method specifically designed to learn from the weights of a single hidden model layer. We demonstrate the effectiveness of ProbeX by predicting the categories in a model's training dataset based only on its weights. Excitingly, ProbeX can map the weights of Stable Diffusion into a weight-language embedding space, enabling model search via text, i.e., zero-shot model classification.

  • 4 authors
·
Oct 17, 2024

Soohak: A Mathematician-Curated Benchmark for Evaluating Research-level Math Capabilities of LLMs

Following the recent achievement of gold-medal performance on the IMO by frontier LLMs, the community is searching for the next meaningful and challenging target for measuring LLM reasoning. Whereas olympiad-style problems measure step-by-step reasoning alone, research-level problems use such reasoning to advance the frontier of mathematical knowledge itself, emerging as a compelling alternative. Yet research-level math benchmarks remain scarce because such problems are difficult to source (e.g., Riemann Bench and FrontierMath-Tier 4 contain 25 and 50 problems, respectively). To support reliable evaluation of next-generation frontier models, we introduce Soohak, a 439-problem benchmark newly authored from scratch by 64 mathematicians. Soohak comprises two subsets. On the Challenge subset, frontier models including Gemini-3-Pro, GPT-5, and Claude-Opus-4.5 reach 30.4%, 26.4%, and 10.4% respectively, leaving substantial headroom, while leading open-weight models such as Qwen3-235B, GPT-OSS-120B, and Kimi-2.5 remain below 15%. Notably, beyond standard problem solving, Soohak introduces a refusal subset that probes a capability intrinsic to research mathematics: recognizing ill-posed problems and pausing rather than producing confident but unjustified answers. On this subset, no model exceeds 50%, identifying refusal as a new optimization target that current models do not directly address. To prevent contamination, the dataset will be publicly released in late 2026, with model evaluations available upon request in the interim.

EleutherAI EleutherAI
·
May 8 3

GraphLocator: Graph-guided Causal Reasoning for Issue Localization

The issue localization task aims to identify the locations in a software repository that requires modification given a natural language issue description. This task is fundamental yet challenging in automated software engineering due to the semantic gap between issue description and source code implementation. This gap manifests as two mismatches:(1) symptom-to-cause mismatches, where descriptions do not explicitly reveal underlying root causes; (2) one-to-many mismatches, where a single issue corresponds to multiple interdependent code entities. To address these two mismatches, we propose GraphLocator, an approach that mitigates symptom-to-cause mismatches through causal structure discovering and resolves one-to-many mismatches via dynamic issue disentangling. The key artifact is the causal issue graph (CIG), in which vertices represent discovered sub-issues along with their associated code entities, and edges encode the causal dependencies between them. The workflow of GraphLocator consists of two phases: symptom vertices locating and dynamic CIG discovering; it first identifies symptom locations on the repository graph, then dynamically expands the CIG by iteratively reasoning over neighboring vertices. Experiments on three real-world datasets demonstrates the effectiveness of GraphLocator: (1) Compared with baselines, GraphLocator achieves more accurate localization with average improvements of +19.49% in function-level recall and +11.89% in precision. (2) GraphLocator outperforms baselines on both symptom-to-cause and one-to-many mismatch scenarios, achieving recall improvement of +16.44% and +19.18%, precision improvement of +7.78% and +13.23%, respectively. (3) The CIG generated by GraphLocator yields the highest relative improvement, resulting in a 28.74% increase in performance on downstream resolving task.

  • 7 authors
·
Dec 27, 2025 3

Discovering and Exploiting Sparse Rewards in a Learned Behavior Space

Learning optimal policies in sparse rewards settings is difficult as the learning agent has little to no feedback on the quality of its actions. In these situations, a good strategy is to focus on exploration, hopefully leading to the discovery of a reward signal to improve on. A learning algorithm capable of dealing with this kind of settings has to be able to (1) explore possible agent behaviors and (2) exploit any possible discovered reward. Efficient exploration algorithms have been proposed that require to define a behavior space, that associates to an agent its resulting behavior in a space that is known to be worth exploring. The need to define this space is a limitation of these algorithms. In this work, we introduce STAX, an algorithm designed to learn a behavior space on-the-fly and to explore it while efficiently optimizing any reward discovered. It does so by separating the exploration and learning of the behavior space from the exploitation of the reward through an alternating two-steps process. In the first step, STAX builds a repertoire of diverse policies while learning a low-dimensional representation of the high-dimensional observations generated during the policies evaluation. In the exploitation step, emitters are used to optimize the performance of the discovered rewarding solutions. Experiments conducted on three different sparse reward environments show that STAX performs comparably to existing baselines while requiring much less prior information about the task as it autonomously builds the behavior space.

  • 4 authors
·
Nov 2, 2021

Chain of Thoughtlessness: An Analysis of CoT in Planning

Large language model (LLM) performance on reasoning problems typically does not generalize out of distribution. Previous work has claimed that this can be mitigated by modifying prompts to include examples with chains of thought--demonstrations of solution procedures--with the intuition that it is possible to in-context teach an LLM an algorithm for solving the problem. This paper presents a case study of chain of thought on problems from Blocksworld, a classical planning domain, and examine the performance of two state-of-the-art LLMs across two axes: generality of examples given in prompt, and complexity of problems queried with each prompt. While our problems are very simple, we only find meaningful performance improvements from chain of thought prompts when those prompts are exceedingly specific to their problem class, and that those improvements quickly deteriorate as the size n of the query-specified stack grows past the size of stacks shown in the examples. Our results hint that, contrary to previous claims in the literature, CoT's performance improvements do not stem from the model learning general algorithmic procedures via demonstrations and depend on carefully engineering highly problem specific prompts. This spotlights drawbacks of chain of thought, especially because of the sharp tradeoff between possible performance gains and the amount of human labor necessary to generate examples with correct reasoning traces.

  • 3 authors
·
May 7, 2024

Can Current Agents Close the Discovery-to-Application Gap? A Case Study in Minecraft

Discovering causal regularities and applying them to build functional systems--the discovery-to-application loop--is a hallmark of general intelligence, yet evaluating this capacity has been hindered by the vast complexity gap between scientific discovery and real-world engineering. We introduce SciCrafter, a Minecraft-based benchmark that operationalizes this loop through parameterized redstone circuit tasks. Agents must ignite lamps in specified patterns (e.g., simultaneously or in timed sequences); scaling target parameters substantially increases construction complexity and required knowledge, forcing genuine discovery rather than reliance on memorized solutions. Evaluating frontier models including GPT-5.2, Gemini-3-Pro, and Claude-Opus-4.5 under a general-purpose code agent scaffold, we find that all plateau at approximately 26% success rate. To diagnose these failures, we decompose the loop into four capacities--knowledge gap identification, experimental discovery, knowledge consolidation, and knowledge application--and design targeted interventions whose marginal contributions serve as proxies for corresponding gaps. Our analysis reveals that although the general knowledge application capability still remains as the biggest gap across all models, for frontier models the knowledge gap identification starts to become a major hurdle--indicating the bottleneck is shifting from solving problems right to raising the right problems for current AI. We release SciCrafter as a diagnostic probe for future research on AI systems that navigate the full discovery-to-application loop.

  • 12 authors
·
Apr 26

Spacer: Towards Engineered Scientific Inspiration

Recent advances in LLMs have made automated scientific research the next frontline in the path to artificial superintelligence. However, these systems are bound either to tasks of narrow scope or the limited creative capabilities of LLMs. We propose Spacer, a scientific discovery system that develops creative and factually grounded concepts without external intervention. Spacer attempts to achieve this via 'deliberate decontextualization,' an approach that disassembles information into atomic units - keywords - and draws creativity from unexplored connections between them. Spacer consists of (i) Nuri, an inspiration engine that builds keyword sets, and (ii) the Manifesting Pipeline that refines these sets into elaborate scientific statements. Nuri extracts novel, high-potential keyword sets from a keyword graph built with 180,000 academic publications in biological fields. The Manifesting Pipeline finds links between keywords, analyzes their logical structure, validates their plausibility, and ultimately drafts original scientific concepts. According to our experiments, the evaluation metric of Nuri accurately classifies high-impact publications with an AUROC score of 0.737. Our Manifesting Pipeline also successfully reconstructs core concepts from the latest top-journal articles solely from their keyword sets. An LLM-based scoring system estimates that this reconstruction was sound for over 85% of the cases. Finally, our embedding space analysis shows that outputs from Spacer are significantly more similar to leading publications compared with those from SOTA LLMs.

  • 16 authors
·
Aug 25, 2025 2

Hell or High Water: Evaluating Agentic Recovery from External Failures

As language model agents are applied to real world problems of increasing complexity, they will be expected to formulate plans across large search spaces. If those plans fail for reasons beyond their control, how well do language agents search for alternative ways to achieve their goals? We devise a specialized agentic planning benchmark to study this question. Each planning problem is solved via combinations of function calls. The agent searches for relevant functions from a set of over four thousand possibilities, and observes environmental feedback in the form of function outputs or error messages. Our benchmark confronts the agent with external failures in its workflow, such as functions that suddenly become unavailable. At the same time, even with the introduction of these failures, we guarantee that the task remains solvable. Ideally, an agent's performance on the planning task should not be affected by the presence of external failures. Overall, we find that language agents struggle to formulate and execute backup plans in response to environment feedback. While state-of-the-art models are often able to identify the correct function to use in the right context, they struggle to adapt to feedback from the environment and often fail to pursue alternate courses of action, even when the search space is artificially restricted. We provide a systematic analysis of the failures of both open-source and commercial models, examining the effects of search space size, as well as the benefits of scaling model size in our setting. Our analysis identifies key challenges for current generative models as well as promising directions for future work.

  • 5 authors
·
Aug 14, 2025

Curiosity-driven Red-teaming for Large Language Models

Large language models (LLMs) hold great potential for many natural language applications but risk generating incorrect or toxic content. To probe when an LLM generates unwanted content, the current paradigm is to recruit a red team of human testers to design input prompts (i.e., test cases) that elicit undesirable responses from LLMs. However, relying solely on human testers is expensive and time-consuming. Recent works automate red teaming by training a separate red team LLM with reinforcement learning (RL) to generate test cases that maximize the chance of eliciting undesirable responses from the target LLM. However, current RL methods are only able to generate a small number of effective test cases resulting in a low coverage of the span of prompts that elicit undesirable responses from the target LLM. To overcome this limitation, we draw a connection between the problem of increasing the coverage of generated test cases and the well-studied approach of curiosity-driven exploration that optimizes for novelty. Our method of curiosity-driven red teaming (CRT) achieves greater coverage of test cases while mantaining or increasing their effectiveness compared to existing methods. Our method, CRT successfully provokes toxic responses from LLaMA2 model that has been heavily fine-tuned using human preferences to avoid toxic outputs. Code is available at https://github.com/Improbable-AI/curiosity_redteam

  • 8 authors
·
Feb 29, 2024

Autonomous Scientific Discovery via Iterative Meta-Reflection

Autonomous scientific discovery systems offer the potential to accelerate research by automating the process of hypothesis generation and validation. However, current systems operate within constrained search spaces or require predefined research questions, limiting their capacity for true open-ended inquiry. Furthermore, while they generate hypotheses iteratively, they largely lack the ability to explicitly synthesize their own accumulated findings to uncover complex, interconnected phenomena. We introduce DiscoPER, an autonomous large language model-powered framework that conducts open-ended research by dynamically generating and executing code to explore datasets without pre-specified research objectives. To ensure rigorous scientific validity, every proposed discovery must pass statistical testing. To overcome the limitations of isolated search, our framework introduces a second-order reasoning mechanism that periodically analyzes its own accumulated discoveries. By treating prior discoveries as empirical data, DiscoPER identifies structural patterns, confounds, and epistemic gaps, actively redirecting hypothesis exploration toward uncharted regions of the search space. The search space is further expanded by incorporating tool use, enabling the system to explore hypotheses beyond structured metadata by seamlessly processing and extracting useful information from multimodal sources like images. Evaluated on iNatDisco, a new multimodal ecological knowledge benchmark with pattern-level ground truth obtained from peer-reviewed literature, DiscoPER recovers 8 of 9 known patterns with a 72.7% hypothesis support rate, outperforming both classical causal discovery and LLM-guided baselines. Ablations show that DiscoPER scales with more data, and confirms the benefits of second-order meta-reflection.

  • 3 authors
·
Jun 30

Instructing Large Language Models to Identify and Ignore Irrelevant Conditions

Math word problem (MWP) solving requires generating a reasoning path based on a given problem description that often contains irrelevant conditions. Existing chain-of-thought (CoT) prompting methods elicited multi-step reasoning abilities of large language models (LLMs) to solve MWPs. However, they were seriously confused by the irrelevant conditions, resulting in low accuracy. In this paper, we propose a novel approach named I^3C that instructs LLMs to identify and ignore irrelevant conditions. It identifies a set of irrelevant condition candidates that have a weak semantic relevance with the question. Then it prompts LLMs to verify the irrelevant conditions. Lastly it instructs the LLMs with the verification on relevant and irrelevant conditions to avoid confusion and improve reasoning paths. Moreover, we propose to select (problem, reasoning paths) pairs as demonstrations to enhance I^3C with few-shot reasoning. We develop I^3C-Select that selects the most confusing problems based on the semantic relevance measurement. We conduct extensive experiments on eight MWP datasets. I^3C can be combined with any CoT prompting methods to improve the performance of solving MWPs. Notably, with GPT-3.5-Turbo and I^3C-Select, we achieve an accuracy of 96.0 and 94.1 on GSM-IC2-1K and GSM-ICM-1K, respectively, significantly outperforming the state-of-the-art few-shot prompting method Complex-CoT by +11.7 and +11.1. Our implementation is made publicly available at https://wzy6642.github.io/I3C.github.io/.

  • 3 authors
·
Mar 19, 2024

The Model Says Walk: How Surface Heuristics Override Implicit Constraints in LLM Reasoning

Large language models systematically fail when a salient surface cue conflicts with an unstated feasibility constraint. We study this through a diagnose-measure-bridge-treat framework. Causal-behavioral analysis of the ``car wash problem'' across six models reveals approximately context-independent sigmoid heuristics: the distance cue exerts 8.7 to 38 times more influence than the goal, and token-level attribution shows patterns more consistent with keyword associations than compositional inference. The Heuristic Override Benchmark (HOB) -- 500 instances spanning 4 heuristic by 5 constraint families with minimal pairs and explicitness gradients -- demonstrates generality across 14 models: under strict evaluation (10/10 correct), no model exceeds 75%, and presence constraints are hardest (44%). A minimal hint (e.g., emphasizing the key object) recovers +15 pp on average, suggesting the failure lies in constraint inference rather than missing knowledge; 12/14 models perform worse when the constraint is removed (up to -39 pp), revealing conservative bias. Parametric probes confirm that the sigmoid pattern generalizes to cost, efficiency, and semantic-similarity heuristics; goal-decomposition prompting recovers +6 to 9 pp by forcing models to enumerate preconditions before answering. Together, these results characterize heuristic override as a systematic reasoning vulnerability and provide a benchmark for measuring progress toward resolving it.

Can LLMs Solve longer Math Word Problems Better?

Math Word Problems (MWPs) play a vital role in assessing the capabilities of Large Language Models (LLMs), yet current research primarily focuses on questions with concise contexts. The impact of longer contexts on mathematical reasoning remains under-explored. This study pioneers the investigation of Context Length Generalizability (CoLeG), which refers to the ability of LLMs to solve MWPs with extended narratives. We introduce Extended Grade-School Math (E-GSM), a collection of MWPs featuring lengthy narratives, and propose two novel metrics to evaluate the efficacy and resilience of LLMs in tackling these problems. Our analysis of existing zero-shot prompting techniques with proprietary LLMs along with open-source LLMs reveals a general deficiency in CoLeG. To alleviate these issues, we propose tailored approaches for different categories of LLMs. For proprietary LLMs, we introduce a new instructional prompt designed to mitigate the impact of long contexts. For open-source LLMs, we develop a novel auxiliary task for fine-tuning to enhance CoLeG. Our comprehensive results demonstrate the effectiveness of our proposed methods, showing improved performance on E-GSM. Additionally, we conduct an in-depth analysis to differentiate the effects of semantic understanding and reasoning efficacy, showing that our methods improves the latter. We also establish the generalizability of our methods across several other MWP benchmarks. Our findings highlight the limitations of current LLMs and offer practical solutions correspondingly, paving the way for further exploration of model generalizability and training methodologies.

  • 6 authors
·
May 23, 2024

What Does My QA Model Know? Devising Controlled Probes using Expert Knowledge

Open-domain question answering (QA) is known to involve several underlying knowledge and reasoning challenges, but are models actually learning such knowledge when trained on benchmark tasks? To investigate this, we introduce several new challenge tasks that probe whether state-of-the-art QA models have general knowledge about word definitions and general taxonomic reasoning, both of which are fundamental to more complex forms of reasoning and are widespread in benchmark datasets. As an alternative to expensive crowd-sourcing, we introduce a methodology for automatically building datasets from various types of expert knowledge (e.g., knowledge graphs and lexical taxonomies), allowing for systematic control over the resulting probes and for a more comprehensive evaluation. We find automatically constructing probes to be vulnerable to annotation artifacts, which we carefully control for. Our evaluation confirms that transformer-based QA models are already predisposed to recognize certain types of structural lexical knowledge. However, it also reveals a more nuanced picture: their performance degrades substantially with even a slight increase in the number of hops in the underlying taxonomic hierarchy, or as more challenging distractor candidate answers are introduced. Further, even when these models succeed at the standard instance-level evaluation, they leave much room for improvement when assessed at the level of clusters of semantically connected probes (e.g., all Isa questions about a concept).

  • 2 authors
·
Dec 31, 2019

Demystifying Scientific Problem-Solving in LLMs by Probing Knowledge and Reasoning

Scientific problem solving poses unique challenges for LLMs, requiring both deep domain knowledge and the ability to apply such knowledge through complex reasoning. While automated scientific reasoners hold great promise for assisting human scientists, there is currently no widely adopted holistic benchmark for evaluating scientific reasoning, and few approaches systematically disentangle the distinct roles of knowledge and reasoning in these tasks. To address these gaps, we introduce SciReas, a diverse suite of existing benchmarks for scientific reasoning tasks, and SciReas-Pro, a selective subset that requires more complex reasoning. Our holistic evaluation surfaces insights about scientific reasoning performance that remain hidden when relying on individual benchmarks alone. We then propose KRUX, a probing framework for studying the distinct roles of reasoning and knowledge in scientific tasks. Combining the two, we conduct an in-depth analysis that yields several key findings: (1) Retrieving task-relevant knowledge from model parameters is a critical bottleneck for LLMs in scientific reasoning; (2) Reasoning models consistently benefit from external knowledge added in-context on top of the reasoning enhancement; (3) Enhancing verbalized reasoning improves LLMs' ability to surface task-relevant knowledge. Finally, we conduct a lightweight analysis, comparing our science-focused data composition with concurrent efforts on long CoT SFT, and release SciLit01, a strong 8B baseline for scientific reasoning.

  • 5 authors
·
Aug 26, 2025 2

Rethink MAE with Linear Time-Invariant Dynamics

Standard representation probing for visual models relies on mathematically permutation-invariant operations like Global Average Pooling (GAP) or CLS tokens, treating patch representations as an unstructured bag-of-words. We challenge this paradigm by demonstrating that token order is a critical, exploitable dimension in frozen visual representations (e.g., MAE, BEiT, DINOv2, and ViT as CLS-ablation extreme). We propose SSMProbe, a probing framework driven by a State Space Model (SSM). Operating as discrete Linear Time-Invariant (LTI) dynamical systems, SSMs act as permutation-sensitive probes where sequence order strictly dictates the final state due to inherent memory decay. Formulating token ordering as an information scheduling problem, we compare fixed scan heuristics against a differentiable soft permutation (Sinkhorn-based) learned from downstream supervision. Evaluations on standard and fine-grained classification benchmarks reveal a striking order gap: while fixed scans fail dramatically on highly localized patch features, our learned soft permutation successfully extracts highly competitive performance from otherwise heavily localized patch sequences. We find that pre-training objectives fundamentally shape token structure: DINOv2 concentrates global semantics in optimized CLS tokens leaving patches hyperspecialized, pure MAE preserves distributed representations with heterogeneous patch informativeness, and ViT represents a supervised CLS-dominated extreme. BEiT occupies middle ground. This heterogeneity is order-dependent -- meaning the SSM probe's performance depends critically on which tokens are placed at which temporal positions -- and is not merely a topological property of the spatial grid. SSMProbe's learned routing effectively discovers and exploits this heterogeneity, offering a powerful new diagnostic lens for visual representation analysis.

  • 1 authors
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Apr 28

How Many Code and Test Cases Are Enough? Evaluating Test Cases Generation from a Binary-Matrix Perspective

Evaluating test cases automatically generated by Large Language Models (LLMs) is a critical yet challenging task. Existing benchmarks often evaluate the exclusion ratio on large, unstructured collections of wrong codes, suffering from high computational costs and score inflation. Furthermore, they inadvertently reward generators that detect common, trivial bugs, while failing to penalize their inability to identify rare yet critical faults. In this work, we connect two fundamental questions: (1) What is the minimal set of wrong codes sufficient to represent the entire error space? and (2) What is the minimal set of test cases needed to distinguish them? We introduce a novel framework that formalizes benchmark construction as finding an optimal diagnostic basis in a binary code-test matrix, where rows represent wrong codes and columns represent test case results. The rank of this matrix specifies the minimal number of independent error patterns (wrong codes) and provides a tight upper bound on the number of test cases required for complete fault coverage. Our objective is to identify a basis of size equal to the matrix rank that maximizes internal diversity. To tackle this NP-hard problem, we propose WrongSelect, an efficient approximation algorithm to select maximally diverse wrong codes. Applying this framework to millions of competitive programming submissions, we construct TC-Bench, a compact, diverse, and inflation-resistant benchmark. Extensive experiments show that even the most advanced test case generation methods achieve only ~60% exclusion rates on TC-Bench, exposing a significant gap in their diagnostic power and highlighting substantial room for future improvement. Our dataset is available at: https://huggingface.co/datasets/Luoberta/TC-Bench and our code is at: https://github.com/Luowaterbi/TC-Bench.

  • 8 authors
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Oct 9, 2025

AST-Probe: Recovering abstract syntax trees from hidden representations of pre-trained language models

The objective of pre-trained language models is to learn contextual representations of textual data. Pre-trained language models have become mainstream in natural language processing and code modeling. Using probes, a technique to study the linguistic properties of hidden vector spaces, previous works have shown that these pre-trained language models encode simple linguistic properties in their hidden representations. However, none of the previous work assessed whether these models encode the whole grammatical structure of a programming language. In this paper, we prove the existence of a syntactic subspace, lying in the hidden representations of pre-trained language models, which contain the syntactic information of the programming language. We show that this subspace can be extracted from the models' representations and define a novel probing method, the AST-Probe, that enables recovering the whole abstract syntax tree (AST) of an input code snippet. In our experimentations, we show that this syntactic subspace exists in five state-of-the-art pre-trained language models. In addition, we highlight that the middle layers of the models are the ones that encode most of the AST information. Finally, we estimate the optimal size of this syntactic subspace and show that its dimension is substantially lower than those of the models' representation spaces. This suggests that pre-trained language models use a small part of their representation spaces to encode syntactic information of the programming languages.

  • 4 authors
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Jun 23, 2022

Sparking Scientific Creativity via LLM-Driven Interdisciplinary Inspiration

Despite interdisciplinary research leading to larger and longer-term impact, most work remains confined to single-domain academic silos. Recent AI-based approaches to scientific discovery show promise for interdisciplinary research, but many prioritize rapidly designing experiments and solutions, bypassing the exploratory, collaborative reasoning processes that drive creative interdisciplinary breakthroughs. As a result, prior efforts largely prioritize automating scientific discovery rather than augmenting the reasoning processes that underlie scientific disruption. We present Idea-Catalyst, a novel framework that systematically identifies interdisciplinary insights to support creative reasoning in both humans and large language models. Starting from an abstract research goal, Idea-Catalyst is designed to assist the brainstorming stage, explicitly avoiding premature anchoring on specific solutions. The framework embodies key metacognitive features of interdisciplinary reasoning: (a) defining and assessing research goals, (b) awareness of a domain's opportunities and unresolved challenges, and (c) strategic exploration of interdisciplinary ideas based on impact potential. Concretely, Idea-Catalyst decomposes an abstract goal (e.g., improving human-AI collaboration) into core target-domain research questions that guide the analysis of progress and open challenges within that domain. These challenges are reformulated as domain-agnostic conceptual problems, enabling retrieval from external disciplines (e.g., Psychology, Sociology) that address analogous issues. By synthesizing and recontextualizing insights from these domains back into the target domain, Idea-Catalyst ranks source domains by their interdisciplinary potential. Empirically, this targeted integration improves average novelty by 21% and insightfulness by 16%, while remaining grounded in the original research problem.

The Latent Space: Foundation, Evolution, Mechanism, Ability, and Outlook

Latent space is rapidly emerging as a native substrate for language-based models. While modern systems are still commonly understood through explicit token-level generation, an increasing body of work shows that many critical internal processes are more naturally carried out in continuous latent space than in human-readable verbal traces. This shift is driven by the structural limitations of explicit-space computation, including linguistic redundancy, discretization bottlenecks, sequential inefficiency, and semantic loss. This survey aims to provide a unified and up-to-date landscape of latent space in language-based models. We organize the survey into five sequential perspectives: Foundation, Evolution, Mechanism, Ability, and Outlook. We begin by delineating the scope of latent space, distinguishing it from explicit or verbal space and from the latent spaces commonly studied in generative visual models. We then trace the field's evolution from early exploratory efforts to the current large-scale expansion. To organize the technical landscape, we examine existing work through the complementary lenses of mechanism and ability. From the perspective of Mechanism, we identify four major lines of development: Architecture, Representation, Computation, and Optimization. From the perspective of Ability, we show how latent space supports a broad capability spectrum spanning Reasoning, Planning, Modeling, Perception, Memory, Collaboration, and Embodiment. Beyond consolidation, we discuss the key open challenges, and outline promising directions for future research. We hope this survey serves not only as a reference for existing work, but also as a foundation for understanding latent space as a general computational and systems paradigm for next-generation intelligence.

  • 37 authors
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Apr 1 5

SWE-Explore: Benchmarking How Coding Agents Explore Repositories

Repository-level coding benchmarks such as SWE-bench have driven a rapid surge in the capabilities of coding agents. Yet they usually treat coding tasks as a holistic, binary prediction problem (e.g., resolved or unresolved), neglecting fine-grained agent capabilities such as repository understanding, context retrieval, code localization, and bug diagnosis. In this paper, we introduce SWE-Explore, a benchmark that isolates the evaluation of repository exploration, a critical capability of coding agents. Given a repository and an issue, SWE-Explore asks an explorer to return a ranked list of relevant code regions under a fixed line budget. SWE-Explore covers 848 issues across 10 programming languages and 203 open-source repositories. For each instance, we derive line-level ground truth from independent agent trajectories that successfully solved the same issue, distilling the specific code regions their solution paths actually consulted. We evaluate exploration along coverage, ranking, and context-efficiency dimensions, showing that these metrics strongly track downstream repair behavior. Across a broad set of retrieval methods, general coding agents, and specialized localizers, we find that agentic explorers form a clear tier above classical retrieval. While file-level localization is already strong for modern methods, line-level coverage and efficient ranking remain the key axes differentiating state-of-the-art explorers.

Survival of the Most Influential Prompts: Efficient Black-Box Prompt Search via Clustering and Pruning

Prompt-based learning has been an effective paradigm for large pretrained language models (LLM), enabling few-shot or even zero-shot learning. Black-box prompt search has received growing interest recently for its distinctive properties of gradient-free optimization, proven particularly useful and powerful for model-as-a-service usage. However, the discrete nature and the complexity of combinatorial optimization hinder the efficiency of modern black-box approaches. Despite extensive research on search algorithms, the crucial aspect of search space design and optimization has been largely overlooked. In this paper, we first conduct a sensitivity analysis by prompting LLM, revealing that only a small number of tokens exert a disproportionate amount of influence on LLM predictions. Leveraging this insight, we propose the Clustering and Pruning for Efficient Black-box Prompt Search (ClaPS), a simple black-box search method that first clusters and prunes the search space to focus exclusively on influential prompt tokens. By employing even simple search methods within the pruned search space, ClaPS achieves state-of-the-art performance across various tasks and LLMs, surpassing the performance of complex approaches while significantly reducing search costs. Our findings underscore the critical role of search space design and optimization in enhancing both the usefulness and the efficiency of black-box prompt-based learning.

  • 4 authors
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Oct 19, 2023

MIG: Automatic Data Selection for Instruction Tuning by Maximizing Information Gain in Semantic Space

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

  • 6 authors
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Apr 18, 2025 3

Neural Probe-Based Hallucination Detection for Large Language Models

Large language models(LLMs) excel at text generation and knowledge question-answering tasks, but they are prone to generating hallucinated content, severely limiting their application in high-risk domains. Current hallucination detection methods based on uncertainty estimation and external knowledge retrieval suffer from the limitation that they still produce erroneous content at high confidence levels and rely heavily on retrieval efficiency and knowledge coverage. In contrast, probe methods that leverage the model's hidden-layer states offer real-time and lightweight advantages. However, traditional linear probes struggle to capture nonlinear structures in deep semantic spaces.To overcome these limitations, we propose a neural network-based framework for token-level hallucination detection. By freezing language model parameters, we employ lightweight MLP probes to perform nonlinear modeling of high-level hidden states. A multi-objective joint loss function is designed to enhance detection stability and semantic disambiguity. Additionally, we establish a layer position-probe performance response model, using Bayesian optimization to automatically search for optimal probe insertion layers and achieve superior training results.Experimental results on LongFact, HealthBench, and TriviaQA demonstrate that MLP probes significantly outperform state-of-the-art methods in accuracy, recall, and detection capability under low false-positive conditions.

  • 2 authors
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Dec 24, 2025

CHAMP: A Competition-level Dataset for Fine-Grained Analyses of LLMs' Mathematical Reasoning Capabilities

Recent large language models (LLMs) have shown indications of mathematical reasoning ability. However it has not been clear how they would fare on more challenging competition-level problems. And while self-generated verbalizations of intermediate reasoning steps (i.e., chain-of-thought prompting) have been shown to be helpful, whether LLMs can make use of helpful side information such as problem-specific hints has not been investigated before. In this paper, we propose a challenging benchmark dataset for enabling such analyses. The Concept and Hint-Annotated Math Problems (CHAMP) consists of high school math competition problems, annotated with concepts, or general math facts, and hints, or problem-specific tricks. These annotations allow us to explore the effects of additional information, such as relevant hints, misleading concepts, or related problems. This benchmark is difficult, with the best model only scoring 58.1% in standard settings. With concepts and hints, performance sometimes improves, indicating that some models can make use of such side information. We further annotate model-generated solutions for their correctness. Using this corpus, we find that models often arrive at the correct final answer through wrong reasoning steps. In addition, we test whether models are able to verify these solutions, and find that most models struggle. The dataset and code are available on the project website.

  • 3 authors
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Jan 12, 2024