As Large Language Models (LLMs) are increasingly deployed in real-world applications, reliable uncertainty quantification (UQ) becomes critical for safe and effective use. Most existing UQ approaches for language models aim to produce a single confidence score -- for example, estimating the probability that a model's answer is correct. However, uncertainty in natural language tasks arises from multiple distinct sources, including model knowledge gaps, output variability, and input ambiguity, which have different implications for system behavior and user interaction. In this work, we study how the source of uncertainty impacts the behavior and effectiveness of existing UQ methods. To enable controlled analysis, we introduce a new dataset that explicitly categorizes uncertainty sources, allowing systematic evaluation of UQ performance under each condition. Our experiments reveal that while many UQ methods perform well when uncertainty stems solely from model knowledge limitations, their performance degrades or becomes misleading when other sources are introduced. These findings highlight the need for uncertainty-aware methods that explicitly account for the source of uncertainty in large language models.
Figures & tables
Figure 1: Question generation pipeline used to construct question triplets.
Setting
Question Types
Desciption
MK
Type 1
Well-formed questions with a unique correct answer. Model knowledge is the sole source of uncertainty.
MK + OV
Type 2
Questions admitting multiple valid answers. Output variability is introduced alongside model knowledge uncertainty.
MK + IA
Type 1 + Type 3
Mix of well-formed and underspecified questions. A well-calibrated method must remain confident on correctly answered Type 1 and assign high uncertainty to Type 3.
MK + OV + IA
Type 1 + Type 2 + Type 3
All question types combined, reflecting realistic deployment conditions where all uncertainty sources co-occur.
Table 1: Evaluation settings. Model knowledge (MK) uncertainty is present in all settings as an inherent property of any deployed system; remaining settings layer output variability (OV) and input ambiguity (IA) on top.
Figure 2: Prediction–Rejection Ratio (PRR) curve of non-rejected prediction quality vs. rejection rate. Oracle denotes the optimal strategy; Random and UQ correspond to random and uncertainty-based rejection.
Metric
MK
MK+OV
MK+IA
MK+OV+IA
SP
0.580
0.417 ↓ 0.163
0.438 ↓ 0.142
0.415 ↓ 0.165
PPL
0.556
0.372 ↓ 0.184
0.415 ↓ 0.141
0.372 ↓ 0.184
MTE
0.593
0.405 ↓ 0.188
0.445 ↓ 0.148
0.401 ↓ 0.192
MCSE
0.587
0.425 ↓ 0.162
0.439 ↓ 0.149
0.426 ↓ 0.161
MCNSE
0.561
0.371 ↓ 0.190
0.400 ↓ 0.161
0.368 ↓ 0.193
Consistency
0.511
0.386 ↓ 0.125
0.358 ↓ 0.153
0.320 ↓ 0.191
Table 2: PRR scores averaged across all five models. Inline arrows show drop from MK setting. Bold and underline denote best and second-best per column.
Figure 3: Examples of UQ failure modes across question types. Type 1: consistent, high-probability answers are correct. Type 2: inconsistency reflects valid output diversity, not poor quality. Type 3: the model commits to one interpretation of an ambiguous input, producing falsely confident, consistent answers.
Figure 4: Density of UQ scores for correct single- and multi-answer, and incorrect responses. Output variability shifts the correct distribution toward higher uncertainty, increasing overlap with incorrect answers. Model – Gemma-3-12b-Instruct.
Figure 5: Density of UQ scores for correct, incorrect answers and answered ambiguous questions. Models commit to an arbitrary interpretation and answer with apparent confidence – uncertainty estimates for ambiguous inputs are lower than for incorrect answers, indicating overconfidence. Model – Gemma-3-12b-Instruct.
Appendix figures & tables17 assets
Supplementary material from the paper’s appendix.
Appendix
Figure 6: Agreement between human annotations and LLM-as-Judge across question types.
Model
HuggingFace Endpoint
Llama-3.1-8b-Instruct
meta-llama/Llama-3.1-8B-Instruct
Gemma-3-12b-Instruct
google/gemma-3-12b-it
Qwen-2.5-14b-Instruct
Qwen/Qwen2.5-14B-Instruct
llamaseventy
meta-llama/Llama-3.3-70B-Instruct
Appendix
Table 3: HuggingFace Inference Endpoints used in our experiments.
Model
Single-answer
Multi-answer
Clarification rate
Llama-3.1-8b-Instruct
68.6% (370/539)
76.3% (411/539)
3.5% (19/539)
Gemma-3-12b-Instruct
69.0% (372/539)
76.6% (413/539)
0.0% (0/539)
Qwen-2.5-14b-Instruct
64.7% (349/539)
70.5% (380/539)
0.7% (4/539)
Llama-3.3-70b-Instruct
88.5% (477/539)
84.6% (456/539)
0.0% (0/539)
GPT-4.1
94.8% (511/539)
91.8% (495/539)
0.0% (0/539)
Appendix
Table 4: Quality of generations across models. For single- and multi-answer questions we report accuracy; for ambiguous inputs we report the clarification rate (fraction of outputs that explicitly ask for clarification).
Figure 7: Distributions of generation lengths across models.
Metric
Single
Ambi
Multi
Combined
SP
0.594
0.503 ↓ 0.091
0.585 ↓ 0.009
0.501 ↓ 0.093
PPL
0.503
0.434 ↓ 0.069
0.457 ↓ 0.046
0.413 ↓ 0.090
MTE
0.568
0.492 ↓ 0.076
0.541 ↓ 0.027
0.485 ↓ 0.083
MCSE
0.608
0.522 ↓ 0.086
0.643 ↑ 0.035
0.543 ↓ 0.065
MCNSE
0.524
0.472 ↓ 0.052
0.464 ↓ 0.060
0.443 ↓ 0.081
Consistency
0.490
0.419 ↓ 0.072
0.479 ↓ 0.012
0.384 ↓ 0.107
Appendix
Table 5: PRR scores for Llama-8b-it. Inline arrows show drop from Single.
Metric
Single
Ambi
Multi
Combined
SP
0.564
0.394 ↓ 0.170
0.461 ↓ 0.103
0.358 ↓ 0.206
PPL
0.544
0.357 ↓ 0.187
0.456 ↓ 0.088
0.325 ↓ 0.219
MTE
0.587
0.378 ↓ 0.209
0.499 ↓ 0.089
0.346 ↓ 0.242
MCSE
0.587
0.413 ↓ 0.174
0.471 ↓ 0.117
0.374 ↓ 0.213
MCNSE
0.551
0.355 ↓ 0.197
0.467 ↓ 0.085
0.330 ↓ 0.221
Consistency
0.519
0.394 ↓ 0.125
0.424 ↓ 0.095
0.328 ↓ 0.191
Appendix
Table 6: PRR scores for Gemma-12b-it. Inline arrows show drop from Single.
Metric
Single
Ambi
Multi
Combined
SP
0.539
0.395 ↓ 0.145
0.550 ↑ 0.010
0.394 ↓ 0.145
PPL
0.544
0.392 ↓ 0.152
0.524 ↓ 0.020
0.371 ↓ 0.173
MTE
0.570
0.423 ↓ 0.146
0.568 ↓ 0.001
0.408 ↓ 0.162
MCSE
0.520
0.381 ↓ 0.140
0.531 ↑ 0.010
0.381 ↓ 0.140
MCNSE
0.524
0.380 ↓ 0.144
0.519 ↓ 0.005
0.358 ↓ 0.166
Consistency
0.467
0.327 ↓ 0.140
0.498 ↑ 0.031
0.329 ↓ 0.138
Appendix
Table 7: PRR scores for Qwen-14b-it. Inline arrows show drop from Single.
Metric
Single
Ambi
Multi
Combined
SP
0.707
0.476 ↓ 0.231
0.206 ↓ 0.501
0.428 ↓ 0.279
PPL
0.680
0.483 ↓ 0.197
0.213 ↓ 0.467
0.409 ↓ 0.271
MTE
0.702
0.514 ↓ 0.188
0.213 ↓ 0.489
0.423 ↓ 0.279
MCSE
0.751
0.490 ↓ 0.261
0.240 ↓ 0.511
0.447 ↓ 0.304
MCNSE
0.704
0.446 ↓ 0.258
0.222 ↓ 0.482
0.385 ↓ 0.318
Consistency
0.682
0.376 ↓ 0.305
0.290 ↓ 0.392
0.311 ↓ 0.371
Appendix
Table 8: PRR scores for Llama-70b. Inline arrows show drop from Single.
Metric
Single
Ambi
Multi
Combined
SP
0.495
0.424 ↓ 0.071
0.284 ↓ 0.210
0.392 ↓ 0.102
PPL
0.510
0.409 ↓ 0.101
0.209 ↓ 0.302
0.342 ↓ 0.168
MTE
0.537
0.419 ↓ 0.118
0.202 ↓ 0.335
0.341 ↓ 0.196
MCSE
0.470
0.388 ↓ 0.082
0.242 ↓ 0.228
0.386 ↓ 0.084
MCNSE
0.503
0.347 ↓ 0.156
0.185 ↓ 0.318
0.325 ↓ 0.178
Consistency
0.395
0.273 ↓ 0.122
0.237 ↓ 0.157
0.246 ↓ 0.149
Appendix
Table 9: PRR scores for GPT-4.1. Inline arrows show drop from Single.
Figure 8: Density of uncertainty scores for correct (single answer), correct (multi answer), and incorrect (pooled) responses. Model - Llama-3.1-8b-Instruct.
Figure 9: Density of uncertainty scores for correct (single answer), incorrect, and answered (ambiguous) responses. Model - Llama-3.1-8b-Instruct.
Figure 10: Density of uncertainty scores for correct (single answer), correct (multi answer), and incorrect (pooled) responses. Model - Qwen-2.5-14b-Instruct.
Figure 11: Density of uncertainty scores for correct (single answer), incorrect, and answered (ambiguous) responses. Model - Qwen-2.5-14b-Instruct.
Figure 12: Density of uncertainty scores for correct (single answer), correct (multi answer), and incorrect (pooled) responses. Model - Llama-3.3-70b-Instruct.
Figure 13: Density of uncertainty scores for correct (single answer), incorrect, and answered (ambiguous) responses. Model - Llama-3.3-70b-Instruct.
Figure 14: Density of uncertainty scores for correct (single answer), correct (multi answer), and incorrect (pooled) responses. Model - GPT-5.
Figure 15: Density of uncertainty scores for correct (single answer), incorrect, and answered (ambiguous) responses. Model - GPT-5.