Existing tool-use benchmarks report a single success rate for complex, multistep tasks. Inspired by ideas from cognitive science, we distinguish tool use from tool discovery and decompose the latter into curiosity (the model's ability to discover the parts needed to build the tool), recognition (the model's ability to discover the process of creating the tool), and efficiency (the model's use of the tool after creation). We show that this framework can be applied to existing discovery tasks, such as Voyager. In addition, we provide evidence that recognition inversely scales with model size, and we introduce and analyze a class of combinatorial games that demonstrates this. We further observe inverse scaling in a separate environment designed to emulate real-world tasks.
Tool calling is central to modern language model agents, but aggregate benchmark scores often hide where tool use fails. A model that never calls a needed tool and a model that calls the tool but ignores the result can look similar under final task accuracy. We introduce ToolFailBench, a diagnostic benchmark for measuring tool-use failures across 1,000 tasks in finance, medicine, law, cybersecurity, and real estate. Tool-required tasks return values the model wouldn't guess, forcing it to trust the tool while control tasks attach the same tools but should be answered directly. We label each trace with Tool-Skip, Result-Ignore, Output-Fabrication, and Unnecessary-Tool-Use, using a rule classifier and two LLM judges aggregated by majority vote. Across 19 headline models, the best reaches 86.33% Clean Tool-Use Rate, showing that faithful tool use is not saturated. More importantly, models with similar aggregate scores fail in different ways: most stay disciplined on no-tool controls, while Llama-3.1 models show an Always-Call pattern, and at the same parameter scale Llama-3.1-70B and Qwen2.5-72B differ by 89 percentage points on control-task accuracy. Tool-use evaluation should measure not only whether agents call tools, but whether they use tool outputs correctly and avoid tools when none is needed.
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× higher accuracy loss. Our code is available at https://github.com/Trustworthy-ML-Lab/when2tool
Large Language Models (LLMs) are increasingly deployed as agents that interact with stateful environments over multiple steps: gathering hidden information, composing tool calls, and committing state changes. We refer to this capability as multi-step tool use. Existing benchmarks have advanced tool-use agent evaluation, but often focus on isolated API calls, short trajectories, or settings that are difficult to scale or control. We introduce E-Bench, a fully synthetic benchmark with 323 state-changing tasks across three product domains: Honor of Kings, QQ Music, and Tencent Meeting. E-Bench decouples environment synthesis from task synthesis: graph-guided database filling builds reusable, orphan-free product environments, while generator-solver asymmetry creates tasks with both an information gap and a tool gap, requiring agents to discover hidden data and compose multiple tool calls before changing state. Outcomes are graded deterministically by database-state diffs. Since both environments and tasks are synthetic, E-Bench is controllable at the environment level and scalable at the task level. Benchmarking 11 cutting-edge LLMs shows that multi-step tool use remains challenging: Pass^3 stays below 60% for the strongest models, and even with code execution in the E-Bench-Code extension, reliability (Pass^3) remains below 70%.