Structured but Silent: Probing Capability Requirements in LLM Hidden States

Tool-augmented LLM agents tend to call tools indiscriminately, even when the model can answer directly. Each unnecessary call wastes API fees and latency, yet no existing benchmark systematically studies when a tool call is actually needed. We propose When2Tool, a benchmark of 18 environments (15 single-hop, 3 multi-hop) spanning three categories of tool necessity -- computational scale, knowledge boundaries, and execution reliability -- each with controlled difficulty levels that create a clear decision boundary between tool-necessary and tool-unnecessary tasks. We evaluate two families of training-free baselines: Prompt-only (varying the prompt to discourage unnecessary calls) and Reason-then-Act (requiring the model to reason about tool necessity before acting). Both provide limited control: Prompt-only suppresses necessary calls alongside unnecessary ones, and Reason-then-Act still incurs a disproportionate accuracy cost on hard tasks. To understand why these baselines fail, we probe the models' hidden states and find that tool necessity is linearly decodable from the pre-generation representation with AUROC 0.89--0.96 across six models, substantially exceeding the model's own verbalized reasoning. This reveals that models already know when tools are needed, but fail to act on this knowledge during generation. Building on this finding, we propose Probe&Prefill, which uses a lightweight linear probe to read the hidden-state signal and prefills the model's response with a steering sentence. Across all models tested, Probe&Prefill reduces tool calls by 48% with only 1.7% accuracy loss, while the best baseline at comparable accuracy only reduces 6% of tool calls, or achieves a similar tool call reduction but incurs a 5$\times$ higher accuracy loss. Our code is available at https://github.com/Trustworthy-ML-Lab/when2tool

Linear probing of large language model (LLM) hidden states is widely used to claim that models learn distinct representations for different reasoning types. We test this by probing Qwen3-14B on three benchmarks spanning the classical trichotomy: LogiQA 2.0 (deductive), ARC-Challenge (inductive), and $α$NLI (abductive). At layer 32 of 40, linear probes achieve 100% cross-validated accuracy with well-separated geometry (intrinsic dimensionalities: 20.6, 28.5, 33.6; convex hull contamination $\leq$1.5%). However, this separation is entirely driven by format confounds. Residualizing source identity, option count, and response length reduces accuracy to chance. Trace-anchor similarity indicates largely shared reasoning across tasks (42.5% agreement vs.\ 33.3% chance), and causal steering with random controls ($n=20$) shows no functional link between geometry and reasoning mode ($p=0.286$). Thus, high probe accuracy reflects task format rather than computational structure, motivating routine format deconfounding in mechanistic interpretability.

Large language models (LLMs) can generate fluent and useful responses but remain prone to hallucinations. We introduce Prompt Embedding Probes (PEP), a white-box method for answer-level hallucination detection from the hidden states of a frozen LLM. PEP extends standard linear probes by augmenting the input with a small number of learnable prompt embeddings. We evaluate PEP on TriviaQA, GSM8K, and MedQA using Qwen3 models at multiple scales. PEP improves hidden-state-based detection over standard linear probes in the main in-distribution setting. We further evaluate PEP for pre-generation prediction, cross-model transfer, and out-of-distribution generalization. PEP remains effective in the pre-generation and cross-model settings, whereas robust cross-dataset transfer remains difficult. These results show that prompt-based adaptation can strengthen hidden-state probing while keeping the backbone frozen and adding only a small number of trainable parameters.