# uncertaintyaware_decoding_with_minimum_bayes_risk__f586de29.pdf Published as a conference paper at ICLR 2025 UNCERTAINTY-AWARE DECODING WITH MINIMUM BAYES RISK Nico Daheim1, Clara Meister2, Thomas M ollenhoff3, Iryna Gurevych1 1Ubiquitous Knowledge Processing Lab (UKP Lab) Department of Computer Science and Hessian Center for AI (hessian.AI) Technical University of Darmstadt 2ETH Zurich 3RIKEN Center for Advanced Intelligence Project, Tokyo, Japan www.ukp.tu-darmstadt.de Despite their outstanding performance in the majority of scenarios, contemporary language models still occasionally generate undesirable outputs, for example, hallucinated text. While such behaviors have previously been linked to uncertainty, there is a notable lack of methods that actively consider uncertainty during text generation. In this work, we show how Minimum Bayes Risk (MBR) decoding, which selects model generations according to an expected risk, can be generalized into a principled uncertainty-aware decoding method. In short, we account for model uncertainty during decoding by incorporating a posterior over model parameters into MBR s computation of expected risk. We show that this modified expected risk is useful for both choosing outputs and deciding when to abstain from generation and can provide improvements without incurring overhead. We benchmark different methods for learning posteriors and show that performance improves with prediction diversity. We release our code publicly.1 1 INTRODUCTION Today s language models can generate fluent and coherent text. While they perform well in many scenarios, there are still instances where they fail and, for example, hallucinate factually incorrect outputs or generate harmful language (Ye et al., 2023; Bhandari & Brennan, 2023; Li et al., 2024). Previous works have shown that these behaviors are often related to out-of-distribution inputs (Ren et al., 2023) and (epistemic) uncertainty (Xiao & Wang, 2021; van der Poel et al., 2022; Fadeeva et al., 2024) which are both connected to uncertainty about the parameters of the model. Yet there is still a lack of methods that adjust for this type of uncertainty during decoding in language generation. Minimum Bayes Risk (MBR) decoding was originally proposed for statistical machine translation (Kumar & Byrne, 2002), motivated by similar model shortcomings. The idea of MBR is to make use of the entire distribution when choosing an output, because, while the model distribution might be a good overall representation of the target distribution (Smith, 2011), individual samples might not be adequate. More recent works have shown that such problems persist with modern models (Stahlberg & Byrne, 2019; Cohen & Beck, 2019; Eikema & Aziz, 2020), precipitating the resurgence of MBR (Freitag et al., 2022). In this work, we show how a small adjustment to MBR decoding can enhance it beyond this scope and turn it into an uncertainty-aware decoding method. In short, we modify MBR s definition of expected risk by incorporating an additional expectation over a posterior distribution over model parameters. This adjustment enables us to account for uncertainty in parameter estimates when judging the quality of different hypotheses from a model. We present different estimators for this expected risk which use multiple models from the (approximate) posterior to generate outputs.2 Two of these estimators combine outputs at the sequence-level, i.e. full strings generated by a model, which is useful for combining the outputs of black-box LLMs for which one does not have access to output probabilities. Another estimator combines token-level distributions. 1https://github.com/UKPLab/iclr2025-mbr-uncertainty 2This approach has previously been shown to improve downstream performance in classification tasks (Blundell et al., 2015; Lakshminarayanan et al., 2017; Maddox et al., 2019; Shen et al., 2024). Published as a conference paper at ICLR 2025 Overall, we find strong evidence that accounting for weight uncertainty can improve decoding and reduce hallucinations when finetuning and pretraining from scratch, even without computational overhead. We find that improvements trend with the expressiveness of the posterior. Likely related to this, the performance of uncertainty-aware MBR is highly correlated with the prediction diversity across the combined models. We also find that weight uncertainty provides a useful signal for selective prediction, where we observe that the uncertainty-aware expected risk can be used to decide when to predict or abstain from generation. Furthermore, we show that performance scales: it improves with more models and larger hypothesis set sizes. Finally, we show the effectiveness of this framework when used to ensemble outputs from black-box LLMs. 2 BACKGROUND 2.1 PROBABILISTIC LANGUAGE GENERATION Modern models for language generation are predominantly locally-normalized, autoregressive models of a conditional distribution over next tokens. The probability of a sequence of tokens forming a string can be determined by the product of all next-token probabilities in the sequence. Formally, given input x and model pθ the probability of an output sequence y = y1, y2, . . . is computed as pθ(y | x) = t=1 pθ(yt | y 0 and a test dataset Dtest, we only evaluate the model s answers for the topα |Dtest| examples according to s. If s is reliable, performance should improve as α decreases and we evaluate a smaller and smaller subset of outputs. 9This is because sequence-level modeling uses a an expectation of products approach while token-level modeling uses a product of expectations approach. Since expectation and product operations do not necessarily commute, these two ensemble definitions will, in general, assign different probabilities to the same sequence (Malinin & Gales, 2021). Published as a conference paper at ICLR 2025 Expected utility promises to be a good criterion: if we expect low utility, we should abstain from answering; if we expect high utility, we can place more trust in the model s answer. We compare different methods for using expected utility as the selective prediction criterion. We first consider the maximum-utility output in HΘ or HM for Eq. (13) and Eq. (10), i.e:5 s tok(x) = max y HΘ y HΘ u(y, y ) s seq(x) = max y HM y Hθ u(y, y ). (14) Note that we can easily define a similar risk for Eq. (9) by replacing HΘ with HM in the definition of s tok(x). Another strategy is to use the expected utility across outputs for the given input. We can do this by averaging the utility of all outputs in the hypothesis set HΘ or HM.5 stok(x) = X y HΘ u(y, y ) sseq(x) = X y Hθ u(y, y ). (15) 4 EXPERIMENTS & RESULTS Here, we demonstrate empirically that incorporating weight uncertainty can improve decoding. First, we provide brief experimental details and discuss how we learn weight uncertainty in 4.1 and 4.2. More details about our experiments are found in App. A. Then, we show results using prompted, finetuned and from-scratch-trained models in 4.3, where we explore different posteriors and model combination methods. 4.4 looks into the trade-off between performance and ensemble diversity and 4.5 Bayes risk for selective prediction. Finally, we show the scaling behavior of various methods in 4.6. 4.1 EXPERIMENTAL DETAILS Datasets. We use WMT14 (Bojar et al., 2014), IWSLT14 (Cettolo et al., 2014), afro MT (Reid et al., 2021), IWSLT17 (Cettolo et al., 2017), WMT18 (Bojar et al., 2018), and WMT19 (Barrault et al., 2019) for machine translation, XSUM (Narayan et al., 2018) and SAMSum (Gliwa et al., 2019) for summarization, E2E-NLG (Novikova et al., 2017) for data-to-text generation, and STS-B (Cer et al., 2017) for scoring. For the latter, the model outputs a string representation of its numerical prediction and MBR corresponds to an empirical mean of the numerical predictions (Lukasik et al., 2024). Models. We zero-shot prompt Llama-3 8B (Dubey et al., 2024), Mistral 7B (Jiang et al., 2023), Gemma-2 9B (Gemma Team, 2024a), and Qwen-2 7B (Yang et al., 2024). We finetune Gemma-2Bit (Gemma Team, 2024b) using Lo RA (Hu et al., 2022) with ca. 0.9M trainable parameters. For training from scratch, we use the Transformerbig architecture with ca. 261M parameters for WMT14 and Transformerbase with 86M-126M parameters otherwise, following Vaswani et al. (2017). Metrics. For machine translation, we use the Sacre BLEU implementation (Post, 2018) of BLEU (Papineni et al., 2002), chr F (Popovi c, 2015), the quality estimator COMET22 (Rei et al., 2022), and La BSE (Feng et al., 2022) to evaluate hallucinations which has shown strong correlation with human judgements (Dale et al., 2023; Himmi et al., 2024). For Summarization and data-to-text generation we use ROUGE (Lin, 2004) and regression is evaluated using root mean-squared error (RMSE). We use Fact CC for hallucination evaluation on XSUM (Kryscinski et al., 2020). For the utility function u we use BERTScore (Zhang et al., 2020), except for IWSLT14 and afro MT, where we use BLEU. 4.2 LEARNING WEIGHT UNCERTAINTY. We use the variational learning algorithm IVON (Shen et al., 2024) to estimate a posterior distribution over model weights and model weight uncertainty. We choose it, because each training run with IVON has only negligible overhead compared to Adam W (Loshchilov & Hutter, 2019) and gives comparable performance, as also shown in Tab. 1. It is also possible to use other Bayesian Deep Learning methods, such as, Laplace (Daxberger et al., 2021) or SWAG (Maddox et al., 2019) but we leave their exploration for future work. IVON learns a unimodal Gaussian posterior q(θ) := N(θ | m, Σ) with mean m and (diagonal) covariance matrix Σ. Setting model parameters equal to the mean of this distribution (m) is similar to standard neural network training but Σ also provides an estimate of its stability. To be precise, for each parameter mi the variance Σii indicates how much this parameter can be changed without significant performance degradation which can be seen as a Published as a conference paper at ICLR 2025 IWSLT17 En-De WMT18 Tr-En XSUM SAMSum E2E NLG STS-B Method BLEU COMET La BSE BLEU COMET La BSE R-1 R-L Fact CC R-1 R-L R-1 R-L RMSE MBR (Adam W) 19.93 76.62 83.47 14.75 78.20 76.02 33.63 25.67 27.50 46.47 36.21 67.88 44.41 0.330 MBR@Mean 19.73 76.60 83.51 15.27 78.44 77.12 33.04 25.19 23.56 46.17 35.98 68.74 45.16 0.284 Sequence-level - Eq. (9) Unimodal 20.89 77.42 84.01 15.66 79.01 77.79 33.39 25.73 26.07 46.40 36.51 69.36 45.57 0.271 Deep Ensemble 21.24 77.94 84.20 15.63 79.01 77.60 33.37 25.68 27.40 46.71 36.87 69.56 45.77 0.269 Sequence-level - Eq. (10) Unimodal 21.08 77.63 83.96 15.46 78.84 77.35 33.05 25.46 27.50 46.21 36.44 69.13 45.38 0.271 Deep Ensemble 21.20 77.91 84.04 15.69 79.10 77.56 33.10 25.50 32.86 46.14 36.48 69.19 45.31 0.269 Table 1: Sequence-level model combination to account for weight-uncertainty can improve the performance of a finetuned Gemma-2B model on various language generation and scoring tasks. Even simple posteriors that do not incur overhead during finetuning can give for-free improvements (unimodal). The number of total MBR comparisons is the same for all methods and each dataset. MBR@mean denotes decoding with a single model that is the mean of a variational distribution. WMT14 En-De IWSLT14 De-En Sampling Beam Search Sampling Beam Search MBR Effective Method BLEU COMET BLEU COMET BLEU COMET BLEU COMET comparisons beam size MBR@Mean 23.37 71.04 27.56 75.23 33.69 74.71 35.90 76.65 400 20 24.30 72.15 27.53 75.18 34.53 75.18 36.07 76.76 1600 40 Sequence-level - Eq. (9) Unimodal 24.31 72.09 27.52 75.16 34.59 75.15 35.78 76.55 1600 40 Deep Ensemble 24.70 72.39 28.99 76.02 36.03 75.79 38.30 78.01 1600 40 Sequence-level - Eq. (10) Unimodal 24.21 72.15 27.56 75.21 34.65 75.20 35.99 76.67 1600 80 Deep Ensemble 24.67 72.58 28.29 75.70 35.42 75.84 37.42 77.69 1600 80 Token-level Unimodal 23.44 71.36 27.75 75.19 33.62 74.68 35.94 76.66 400 80 Deep Ensemble 23.95 71.58 28.98 76.08 34.61 75.06 38.56 78.31 400 80 Table 2: Weight uncertainty improves decoding when training from scratch and using ancestral sampling and beam search. More complex posteriors (Deep Ensemble) provide better improvements. We use Transformerbig on WMT14 and Transformerbase on IWSLT17. Effective beam size = number of beams per model times number of models (we use four). measure of uncertainty. We also use multiple models obtained from independent IVON training runs to form a Deep Ensemble (Lakshminarayanan et al., 2017) in order to study multimodal tokenor sequence-level posteriors. This can be seen as constructing a mixture-of-Gaussian posterior with equal mixture component weights but incurs training overhead, since training time increases linearly with the number of mixture components. Unless otherwise stated, we use four models in total for MBR, i.e. |M| = 4. For deep ensembles, we use the mean of each training run and for the unimodal method using IVON we use four samples from the posterior. For smaller models we train all parameters but for larger models we only train newly-inserted Lo RA parameters θ Re, following IVON-Lo RA Cong et al. (2024). IVON-Lo RA then learns a distribution q(θ ) := N(θ | m , Σ ) while the original pretrained model parameters θ remain fixed. 4.3 WEIGHT UNCERTAINTY & DECODING Weight uncertainty improves decoding. Tab. 1 and Tab. 2 show results using finetuned Gemma2B and Transformer models that were pretrained from scratch, respectively, on various language generation and scoring benchmarks. Results on two low-resource tasks from afro MT are found in App. B.1. For a fair comparison, we match the number of MBR comparisons, i.e. evaluations of the utility function u for the estimator, with the single-model MBR baseline, as described in App. A.4. We find in Tab. 1 and Tab. 2 that weight uncertainty improves performance across all benchmarks, even with matched compute budgets. That is, using just one model (and thereby neglecting weight uncertainty) performs worse than using multiple models sampled from the posterior and averaging their predictions. Improvements also tend to hold when compared to training with Adam W (Tab. 1). In particular, when using Eq. (9) with unimodal posteriors both training time and time needed for decoding are the same as for the single-model MBR baseline. We ensure that the time needed for decoding is the same by i) using only as many MBR comparisons as MBR@mean for our methods and ii) always using the same or smaller effective beam size, which is measured by the number of Published as a conference paper at ICLR 2025 IWSLT17 De-En WMT19 Cs-En XSUM MBR Effective 2 Models 3 Models 2 Models 3 Models Comparisons Beam size Method BLEU COMET BLEU COMET BLEU COMET R-1 R-L Single Model 24.59 80.24 24.59 80.24 28.65 82.95 26.99 19.05 100 10 Sequence-level - Eq. (9) 26.66 81.60 29.12 83.06 30.60 84.12 28.27 20.22 400/900 20/30 Sequence-level - Eq. (10) 26.02 81.47 26.50 81.86 30.25 83.99 27.43 19.33 200/300 20/30 Table 3: Sequence-level model combination is also useful for ensembling zero-shot prompted LLMs. Eq. (9) performs better but requires more computation. 0 10 20 30 40 50 60 Unimodal Snapshot temperature 0 10 20 30 40 77.5 Unimodal Deep Ens. Figure 1: Our methods are more successful when the ensembled models are diverse. We compare a unimodal to mixture-based posteriors using Snapshot Ensembles and Deep Ensembles. Sampling from a unimodal posterior with higher temperature can increase diversity and improve performance (in blue). Left: token-level combination on IWSLT14 using beam search and Transformerbase. Right: sequence-level combination (Eq. (10)) on IWSLT17 using ancestral sampling and Gemma-2B. beams per model multiplied the number of models. We validate this empirically in App. B.3. Not only do results improve when using word-overlap metrics like BLEU, but also when using quality estimation (COMET) and hallucination metrics (La BSE). Notably, on IWSLT17 all improvements observed in COMET score when using uncertainty-aware vs. standard MBR indicate there is an estimated >85% chance that humans would distinguish the former system as better as per Kocmi et al. (2024). Improvements also hold for the STS-B sentence similarity scoring task. The estimators of Eq. (9) and Eq. (10) perform similarly even though Eq. (9) uses a smaller hypothesis set size than Eq. (10). Comparison of uniand multimodal posteriors. Next, we compare unimodal posteriors that can be learned without overhead during training to multimodal posteriors based on Deep Ensembles. Such posteriors incur significant overhead during training, because one separate training run with different initialization and data order is required per ensemble member, but can incorporate knowledge from different loss basins a characteristic that has proven to be beneficial (Lion et al., 2023). When training from scratch (Tab. 2), unimodal posteriors do not consistently outperform the single model baseline when compute budgets are equivalent. In contrast, multimodal Deep Ensemble posteriors can deliver significant improvements. On the other hand, when finetuning (Tab. 1), unimodal posteriors can provide strong improvements, performing on par with Deep Ensembles. We hypothesize that this difference can be attributed to the use of Lo RA for finetuning which explores a smaller subspace of potential posterior parameters and may therefore pose a comparably easier learning problem than estimating the variance of a posterior over all parameters. Further, finetuning may not work that well for Deep Ensembles due to the models still landing in the same basin (Frankle et al., 2020). We connect our findings to prediction diversity in 4.4. Comparison of sequenceand token-level posteriors. Here, we compare the use of sequenceand token-level posteriors (Eqs. (9), (10) and (13)) in MBR. Tab. 2 shows that improvements over the baseline with token-level combination are much stronger when using beam search instead of ancestral sampling to create hypothesis sets10. When using a mixture-based posterior, performance is improved in both settings. Sequence-level combination, on the other hand, provides similar improvements for 10Beam search provides a biased estimate and is similar to sampling from a low-temperature distribution. Published as a conference paper at ICLR 2025 0 0.2 0.4 0.6 0.8 30 Ancestral Sampling Beam Search Total Utility Sample Utility (a) Total vs. sample utility 0 0.2 0.4 0.6 0.8 MBR@mean λ = 108 (b) Unimodal, Beam Search 0 0.2 0.4 0.6 0.8 30 MBR@mean Unimodal (Seq.) Snapshot (Seq.) Deep Ensemble (Seq.) Deep Ensemble (Tok.) (c) Beam Search 0 0.2 0.4 0.6 0.8 30 (d) Sampling Figure 2: Total risk and best-output-risk are useful for selective prediction. (a) Creating hypothesis sets with sampling performs better than beam search. (b) Increasing temperature when sampling from unimodal posteriors improves selective prediction. (c) When using beam search more Deep Ensembles work best. (d) For sampling, all methods work well. Results on IWSLT14 with Transformerbase. both settings, with Eq. (9) providing similar results to token-level aggregation. Hence, the preferred method may also depend on the decoding algorithm used to create the hypothesis set. Ensembling zero-shot models. Tab. 3 shows results obtained when ensembling the outputs of various zero-shot prompted LLMs on IWSLT17 De-En with a hypothesis set size of 10. We compare the estimator using an additive union of hypothesis sets (Eq. (9)) to using a soft model average (Eq. (10)) and the average single model performance. Both estimators are effective for ensembling but Eq. (9) performs best, albeit with the highest computational complexity. Details are in App. A.3. 4.4 CORRELATION OF QUALITY AND DIVERSITY Next, we show that the performance of MBR with weight-uncertainty is correlated with the prediction diversity of ensembled models, potentially, due to incorporating knowledge from multiple loss basins. This is in line with prior works on ensembling which have found that diversity is important for good performance (Fort et al., 2019; Masegosa, 2020) but can form a trade-off with individual model performance (Abe et al., 2022; Wood et al., 2023). We empirically validate this in Fig. 1, where we plot BLEU and COMET on IWSLT14 and IWSLT17 against the prediction diversity. We measure diversity as 100 minus average self-BLEU; self-BLEU scores are measured on the set of greedy decoding outputs of each ensemble member, similar to Shen et al. (2019). For finetuning, the models from the unimodal posterior are more diverse than when pretraining. The plot shows a clear correlation between both metrics. We ask two questions: 1) can diversity be promoted in unimodal pretrained posteriors to improve performance and 2) can we find a method with the same pretraining overhead as a unimodal posterior but more expressiveness? For the first, note that the variance of the IVON posterior is σ2 = 1/λ(h+δ), where h is the expected Hessian of the loss, δ is weight-decay and λ the effective sample size which can be seen as an (inverse) temperature parameter. We decrease λ gradually, which samples models from the posterior with higher temperature. This improves diversity and can improve performance. For the latter, we use a mixture-of-Gaussian consisting of checkpoints from one training run, denoted by snapshot (Huang et al., 2017). This comes at no training time increase but can improve performance by incorporating knowledge from different regions along the optimization trajectory, as shown in Fig. 1. 4.5 SELECTIVE PREDICTION WITH BAYES RISK Here, we explore the use of expected Bayes risk for selective prediction on IWSLT14. We observe that both the maximum output utility and the expected output utility (i.e., average expected utility across outputs) can be used effectively for selective prediction. Our results are summarized in Fig. 2. First, we find in Fig. 2 (a) that using the total expected utility for selective prediction performs slightly better than just using the expected utility of the chosen output. This is especially true when creating hypothesis sets with beam search, which performs much worse than ancestral sampling. Next, we Published as a conference paper at ICLR 2025 21 22 23 24 25 Sequence-level Token-level Ensemble size (a) Ancestral Sampling 21 22 23 24 25 Ensemble size (b) Beam Search 10 20 30 40 50 60 70 32 (c) Ancestral Sampling 10 20 30 40 50 60 70 (d) Beam Search Figure 3: Scaling behavior on IWSLT14 with Transformerbase in terms of ensemble (a, b) and hypothesis set size (c, d). (a, b) For a unimodal posterior ( ), larger ensembles improve token-level combination using sampling but not beam search. For Deep Ensemble posteriors ( ), larger ensembles generally improve performance. (c, d) Sequence-level combination (Eq. (10)) performs better for smaller beam sizes but is outperformed by token-level combination at larger ones. Scaling the hypothesis set produces stronger improvements for ancestral sampling than beam search. again sample from the unimodal posterior with different temperatures (via decreasing λ). We find that this improves selective prediction with MBR when using beam search (Fig. 2 (b)). Finally, we evaluate the influence of the posterior approximation. First, we find that a hypothesis set built with ancestral sampling is reliable independent of the used posterior. Even the single model baseline works well but is outperformed by using an ensemble and more expressive posteriors give bigger improvements. For beam search, the baseline completely fails and token-level combination can be unreliable. Sequence-level combination (Eq. (10)) performs much better, especially with more expressive multimodal posteriors. These results are shown in Fig. 2 (c, d). 4.6 SCALING BEHAVIOR Lastly, we examine the scaling behavior of tokenand sequence-level combination (Eq. (10)) with different posteriors. Results are summarized in Fig. 3. First, we show scaling the ensemble size in Fig. 3 (a) for ancestral sampling and beam search (b). Using beam search, both token- (in blue) and sequence-level (in black) combination using unimodal posteriors provide no improvements. For ancestral sampling, we find improvements with a unimodal posterior, especially at larger ensemble sizes of 32 models, but sequence-level combination of a unimodal posterior only improves until 4 models. In all other settings, scaling the ensemble size is usually beneficial. When scaling hypothesis sets with beam search, the improvements are small, likely because the hypothesis sets lack diversity. Ancestral sampling shows a different picture and we obtain strong improvements when scaling hypothesis sets. For small hypothesis sets it is better to use sequence-level ensembling but for larger sizes token-level combination can be better. 5 CONCLUSION In this work, we explore using a Minimum Bayes Risk approach to account for weight uncertainty in language model decoding. We investigate different methods which combine predictions from multiple models either during generation or afterwards. Importantly, the latter can be used to ensemble any set of LLMs. We benchmark the methods on different language generation and scoring tasks for prompted and finetuned models, as well as models trained from scratch. We show that weight uncertainty can effectively improve decoding. We evaluate the effects of using different posterior distributions. More complex distributions can sometimes provide stronger performance improvements but also simple methods can improve performance. Crucially, the improvements with simpler methods do not incur training or test-time overhead. We also connect our findings to prediction diversity, which is important for both standard MBR and when using its expected utility for selective prediction, and show that improvements scale with model and sample sizes. Overall, we find that the uncertainty-aware variant of MBR proposed in this paper leads to better and more robust language generation. Altogether, our method provides a principled approach for scaling test-time compute. Published as a conference paper at ICLR 2025 ETHICS STATEMENT Our work uses probabilistic language models to generate language. Even when used with care, such models can produce outputs that are, among others, harmful, toxic, and hallucinated and our methods can not guarantee that such outputs are not generated. However, we aim to improve the robustness of language generation methods and, therefore, aim to alleviate these issues. Therefore, we believe there to be no direct ethical concern in our work. ACKNOWLEDGEMENTS This project has received funding by the German Federal Ministry of Education and Research and the Hessian Ministry of Higher Education, Research, Science and the Arts within their joint support of the National Research Center for Applied Cybersecurity ATHENE. Clara Meister was supported by a Google Ph D Fellowship. This work is supported by JST CREST Grant Number JP-MJCR2112. We thank Seyed Arshan Dalili for help with running the LLM experiments in Tab. 3. Taiga Abe, E. Kelly Buchanan, Geoff Pleiss, and John Patrick Cunningham. The best deep ensembles sacrifice predictive diversity. In I Can t Believe It s Not Better Workshop: Understanding Deep Learning Through Empirical Falsification, 2022. URL https://openreview.net/forum?id= 6s Bi AIpk Ui O. Pierre Alquier. User-friendly introduction to pac-bayes bounds. Foundations and Trends in Machine Learning, 17(2):174 303, 2024. ISSN 1935-8237. doi: 10.1561/2200000100. URL http://dx.doi.org/10.1561/2200000100. 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Bertscore: Evaluating text generation with bert. In International Conference on Learning Representations, 2020. URL https://openreview.net/forum?id=Ske Hu CVFDr. A EXPERIMENTAL DETAILS A.1 TRAINING FROM SCRATCH Datasets Our usage of the WMT14 English-to-German translation tasks (Bojar et al., 2014) follows the set-up from (Vaswani et al., 2017) but augments the training data by the news-commentary-v12 data from WMT17 (Bojar et al., 2017). In total, we train on ca. 3.9M paired examples. We also use a validation set during training in order to pick checkpoints which consists of ca 39.4K examples. We use the original newstest2014 data which consists of 3,003 examples for evaluation. We also use the IWSLT14 German-to-English translation task (Cettolo et al., 2014) which consists of ca 160K training examples. The validation set consists of ca. 7.3K examples. The test set consists of 6,750K examples. Furthermore, we use two language pairs from Afro MT (Reid et al., 2021), namely En-Bem (English Bemba) which consists of 275K training, 3K validation, and 3K test examples. We do not use any monolingual data but only train from scratch on the parallel data. We use En-Run (English-Rundi) in the same way, which consists of 253K training, 3k validation, and 3k test examples. All data usages can be reproduced by following the instructions from the Fairseq repository under https://github.com/facebookresearch/fairseq/tree/main/examples/translation and will be published along our code. Models All models follow the Transformer architecture from Vaswani et al. (2017) which consists of an encoder-decoder Transformer with 6 encoder and 6 decoder layers. We use the Transformerbase architecture for IWSLT2014 and afro MT and Transformerbig for WMT14 which has larger embedding and feed forward dimensions. The models use a vocabulary of Byte-Pair-Encoding tokens (Sennrich et al., 2016). The input and output embedding parameters of the decoder are shared. The IWSLT model has an input vocabulary size of 8848 and an output vocabulary size of 6632 for in total 39, 469, 056 parameters. The en-run and en-bem models both have an input and output vocabulary size of 80000 each and a total of 126, 058, 496 parameters. The WMT model has an input vocabulary size of 40480 and an output vocabulary size of 42720 for a total of 261, 431, 296 parameters. Training & Decoding We train all models from scratch using the fairseq library (Ott et al., 2019) which we extend for variational learning and a Bayesian interpretation of neural networks. Fairseq is licensed under MIT license11 which permits our form of usage. We will release our code publicly 11https://github.com/facebookresearch/fairseq/blob/main/LICENSE Published as a conference paper at ICLR 2025 Dataset Instruction IWSLT17 En-De Translate from English to German: WMT18 Tr-En Translate from Turkish to English: XSUM Summarize: Sam Sum Summarize: E2E-NLG Convert a set of two-to-nine key-value attribute pairs in the restaurant domain to a simple English-language text: STSB How similar are these sentences from 0 to 1? Table 4: Simple instructions used when finetuning Gemma-2B-it. in the future for further research in a software repository under Apache License 2.012. We train all models with the IVON optimizer (Shen et al., 2024) and place a diagonal Gaussian posterior over neural networks. We use IVON with a isotropic Gaussian prior and initialize all entries of the Hessian with 0.1. We use an effective sample size of 1 10 8, a small weight-decay of 0.0001, and a learning rate of 0.1. We set β1 = 0.9 and β2 = 0.9999. All models are trained with a batch size of 32 or up to 1024 tokens and we use 2 MC samples from the posterior during training for afro MT and IWSLT2014. For WMT14 we just use one MC sample due to the heavier compute requirements. We clip gradients elementwise at 0.001 and use a dropout rate of 0.2. We train the models until performance in terms of BLEU has not improved for at least 3 epochs and then stop with the exception for WMT14, where we train only up to 20 epochs. The results for the single model baseline and unimodal posterior are averaged over four runs. For the snapshot-like approach, we add 3 randomly-sampled distributions that were trained with at least 10 epochs to the best-performing one. For Deep Ensembles we always use four runs with different random seeds unless stated otherwise and for unimodal posteriors we sample four models from each posterior. In all experiments we sample from the posterior as-is and only vary the temperature by reducing the effective sample size when explicitly mentioned. All models are trained on a single GPU which is an NVIDIA GPU with either 80GB, 40GB, 32GB or 24GB GPU memory. Training takes around 1-3 hours for the IWSLT14 and afro MT models and 2 days for the WMT models. Following prior work, we use a length-penalty of 0.6 for decoding (Vaswani et al., 2017). A.2 FINETUNING Datasets For all datasets we use the versions from the huggingface hub (https://huggingface. co/). We use the En-De split of the IWSLT17 evaluation campaign (https://huggingface.co/ datasets/IWSLT/iwslt2017) (Cettolo et al., 2017) with 206,122 training and 8079 test examples and the WMT18 Tr-En split (https://huggingface.co/datasets/wmt/wmt18) (Bojar et al., 2018) with 205,756 training and 3,000 test examples for machine translation. For summarization experiments, we use XSUM (https://huggingface.co/datasets/Edinburgh NLP/xsum) (Narayan et al., 2018) and SAMSum (https://huggingface.co/datasets/Samsung/samsum) (Gliwa et al., 2019). XSUM has 204,045 training examples we train only on the first 50% to reduce computational load and 11,334 test examples. SAMSum is much smaller and consists only of 14,732 train and 819 test examples. Finally, we use E2E-NLG (https://huggingface.co/datasets/tuetschek/ e2e nlg) (Novikova et al., 2017) with 33,524 train and 1,846 test examples for data-to-text generation, as well as STS-B (https://huggingface.co/datasets/sentence-transformers/stsb) (Cer et al., 2017) with 5,749 train and 1,379 test examples for sentence similarity scoring. Note that we use the version provided with the sentence transformers library (Reimers & Gurevych, 2019) which uses ratings from 0 to 1. Models For finetuning results, we use the Gemma-2B-it (Gemma Team, 2024b) checkpoint, which can be found under https://huggingface.co/google/gemma-2b-it on the huggingface hub, with in total 2.51B parameters. Training & Decoding We finetune the model using Lo RA (Hu et al., 2022) with a rank r = 8, α = 32 and a dropout rate of 0.1. In total, this introduces 921, 600 new parameters that are learned with IVON and, correspondingly, the diagonal variance consists of 921, 600 further parameters that 12https://www.apache.org/licenses/LICENSE-2.0 Published as a conference paper at ICLR 2025 Dataset Instruction IWSLT17 De-En Translate the following English text to German. Make sure to only generate the translation without extra text: WMT19 Cs-En Translate the following Czech text to English. Make sure to only generate the translation without extra text: XSUM Given a BBC article, write a short summary of the article in one sentence. Table 5: Prompts used for zero-shot experiments. are learned. We use the chat template provided with huggingface (Wolf et al., 2020), which we adapt to organize our experiments in line with the Apache 2.0 license it is distributed under, to organize training and decoding. As we use an instruction-tuned model, we use simple instructions for each dataset which are outlined in Tab. 4. We train the model on both the prompt and the output labels and do not only calculate gradients for the latter. We again use IVON to learn a unimodal diagonal Gaussian posterior. We use four separate runs with different random seeds for the Deep Ensembles (which entails different data order and initialization of new parameters) and sample four models for the unimodal posterior. Results for the unimodal posterior and single model baseline are averaged over four seeds. For all experiments we use the same hyperparameter setting. We use an initial learning rate of 0.03 which we anneal to 0 with a cosine decay. We set β1 = 0.9, β2 = 0.99999, and use a small weight decay of 10 6. We again clip gradients to unit norm and element-wise with a maximum value of 0.001. All hessian values are initialized at 0.0003. We set the effective sample size (or inverse temperature) to 107 for training but 109 for decoding, because we have found this to perform better empirically, potentially due to the cold posterior effect (Wenzel et al., 2020). For training with Adam W, we set (β1, β2) = (0.9, 0.999) and perform a sweep over learning rates {1 10 5, 1 10 4, 5 10 4}. We again anneal the learning rates to 0, set a small weight decay of 10 6 and rescale gradients to unit norm but do not clip them element-wise. We train for 1 epoch for IWSLT17 and XSUM, 5 epochs for E2ENLG, 2 epochs for WMT18, and for 4 epochs on Sam SUM. We always take the final checkpoints after training has ended. A.3 ZERO-SHOT RESULTS In addition to trained models, we also evaluate zero-shot prompted models. While we do not have an explicit posterior in this setting, ensembling such models can be understood as a crude approximation to sampling from the unknown Bayes posterior. Datasets In addition to IWSLT17 De-En and XSUM, which are described in App. A.2, we use the Cs-En partition of WMT19 (https://huggingface.co/datasets/wmt/wmt19) (Barrault et al., 2019). On XSUM we only evaluate on the first 1000 examples of the test set due to computational load. Models We use different models for our experiments. In particular, we use Gemma-2 9B (https://huggingface.co/google/gemma-2-9b-it) (Gemma Team, 2024a), Llama-3 8B (https://huggingface.co/meta-llama/Llama-3.1-8B-Instruct) (Dubey et al., 2024), Mistral 7B (https://huggingface.co/mistralai/Mistral-7B-Instruct-v0.3) (Jiang et al., 2023), and Qwen-2 7B (https://huggingface.co/Qwen/Qwen2-7B-Instruct) (Yang et al., 2024). We use the instruction-tuned version of each model. We select the models used for each dataset based on a manual inspection of their performance on each dataset. For example, Gemma sometimes returned czech text when asked to translate from czech to english and was therefore not included in the experiment, and Mistral tended to produce too long summaries for XSUM when compared to other models. We use the following models for each dataset: Gemma-2, Llama-3, and Mistral for IWSLT17, Gemma-2, Qwen-2, Llama-3 for XSUM, and Llama-3 and Mistral for WMT19. The prompts are shown in Tab. 5 Our prompt for XSUM is taken from (Suzgun et al., 2023). Decoding We use ancestral sampling with a temperature of 1.0 for all experiments. Published as a conference paper at ICLR 2025 Afro MT En-Bem Afro MT En-Run MBR Sampling Beam Search Sampling Beam Search MBR Effective BLEU chr F BLEU chr F BLEU chr F BLEU chr F comparisons beam size MBR (Mean) 18.26 47.47 19.70 49.02 24.97 53.29 26.67 54.79 400 20 18.63 47.89 19.70 49.02 25.58 53.76 26.67 54.80 1600 40 Sequence-level (Eq. (9)) Unimodal 18.58 47.84 19.46 48.88 25.80 53.86 26.38 54.65 1600 40 Deep Ensemble 19.71 48.77 21.28 50.35 26.52 54.56 28.19 56.02 1600 40 Sequence-level (Eq. (10)) Unimodal 18.43 47.75 19.62 48.95 25.34 53.66 26.58 54.77 1600 80 Deep Ensemble 19.48 48.49 20.69 49.88 25.86 54.22 27.40 55.42 1600 80 Token-level Unimodal 17.90 47.29 19.60 48.94 24.86 53.29 26.57 54.79 400 80 Deep Ensemble 19.32 48.49 21.51 50.54 25.46 53.71 28.44 56.28 400 80 Table 6: Results on afro MT with Transformerbase trained from scratch. A.4 HYPOTHESIS SET SIZES For the finetuning experiments, we use 40 candidate hypotheses for the single model baseline and token-level combination, and 20 per model for Eq. (10) and 10 per model for Eq. (9), except for XSUM, where we use 20, 10, and 5 candidate hypotheses, respectively. A.5 SELECTIVE PREDICTION For selective prediction we reuse the models and set-up from App. A.1 which were used for Tab. 2. In particular, we use the sequence-level model combination of Eq. (10) and token-level combination with both ancestral sampling and beam search. The beam size is always 40 for MBR@mean, 20 for each model used in sequence-level combination and 10 for each model used in token-level combination. All training details are the same as in App. A.1. A.6 SCALING EXPERIMENT Again, we use the set-up from App. A.1 with Transformerbase trained from scratch on IWSLT14. We scale all methods according to the same training recipe as described there but with different random seeds to train the different models. B ADDITIONAL RESULTS B.1 RESULTS ON AFROMT Tab. 6 shows results on the En-Run and En-Bem partitions of afro MT. We find similar patterns to our results presented in Tab. 2: Deep-Ensemble-based weight uncertainty always improves performance, even with matched compute budgets, while unimodal posteriors perform similarly to a single model baseline. B.2 RESULTS WITH LABSE FOR FROM-SCRATCH-TRAINED MODELS Tab. 7 and Tab. 8 show La BSE scores for hallucination evaluation for the same evaluation setting as in Tab. 2. Again, we find hallucinations to be reduced when weight uncertainty is accounted for. B.3 INFERENCE-TIME MEASUREMENTS Tab. 9 shows the time needed for decoding in seconds as well as the obtained results for the E2ENLG experiment from Tab. 1. All results were obtained on NVIDIA Ge Force RTX 3090 GPUs with 24GB memory. Published as a conference paper at ICLR 2025 Sampling Beam Search Method BLEU COMET La BSE BLEU COMET La BSE MBR@Mean 33.69 74.71 85.33 35.90 76.65 86.44 Sequence-level - Eq. (9) Unimodal 34.59 75.15 85.65 35.78 76.55 86.42 Deep Ensemble 36.03 75.79 85.98 38.30 78.01 87.16 Sequence-level - Eq. (10) Unimodal 34.65 75.20 85.68 35.99 76.67 86.45 Mixture 35.42 75.84 86.07 37.42 77.69 86.97 Token-level Unimodal 33.62 74.68 85.39 35.94 76.66 86.45 Mixture 34.61 75.06 85.88 38.56 78.31 87.34 Table 7: Measuring hallucinations with La BSE (higher is better) on IWSLT14 with Transformerbase shows similar trends as quality estimation metrics: incorporating weight-uncertainty can reduce hallucinations, especially when a complex posterior is used. Here, we use a hypothesis set size of 20 for all methods but Eq. (9) which uses a size of 10. Sampling Beam Search Method BLEU COMET La BSE BLEU COMET La BSE MBR@Mean 23.37 71.04 86.97 27.56 75.23 88.46 Sequence-level - Eq. (9) Unimodal 24.31 72.09 87.36 27.52 75.16 88.42 Deep Ensemble 24.70 72.39 87.61 28.99 76.02 88.68 Sequence-level - Eq. (10) Unimodal 24.21 72.15 87.32 27.56 75.21 88.44 Deep Ensemble 24.67 72.58 87.56 28.29 75.70 88.75 Token-level Unimodal 23.44 71.36 86.84 27.75 75.19 88.35 Deep Ensemble 23.95 71.58 87.16 28.98 76.08 88.75 Table 8: Measuring hallucinations with La BSE (higher is better) on WMT14 with Transformerlarge shows similar trends as quality estimation metrics: incorporating weight-uncertainty can reduce hallucinations, especially when a complex posterior is used. Here, we use a hypothesis set size of 20 for all methods but Eq. (9) which uses a size of 10. Method Creation of H (s) Utility Calculation (s) Total (s) R-1 R-L MBR@mean 5824 402 6226 68.74 45.16 Sequence-level Eq. (9) 5472 408 5880 69.36 45.57 Sequence-level Eq. (10) 5881 418 6299 69.13 45.38 Table 9: Time (in seconds) taken for decoding for the results on E2ENLG from Tab. 1.