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Deep Learning · Large Language Models

Fan Wang, Juyong Jiang, Chansung Park, Sunghun Kim, Jing Tang

The increasing sizes of large language models (LLMs) result in significant computational overhead and memory usage when adapting these models to specific tasks or domains. Various parameter-efficient fine-tuning (PEFT) methods have been devised to mitigate these challenges by training a small set of parameters for the task-specific updates of the model weights. Among PEFT methods, LoRA stands out for its simplicity and efficiency, inspiring the development of a series of variants. However, LoRA and its successors disregard the knowledge that is noisy or irrelevant to the targeted task, detrimentally impacting model performance and leading to suboptimality. To address this limitation, we introduce Knowledge-aware Singular-value Adaptation (KaSA), a PEFT method that leverages singular value decomposition (SVD) with knowledge-aware singular values to dynamically activate knowledge based on its relevance to the task at hand. We conduct extensive experiments across a range of LLMs on tasks spanning natural language understanding (NLU), generation (NLG), instruction following, and commonsense reasoning. The experimental results demonstrate that KaSA consistently outperforms FFT and 14 popular PEFT baselines across 16 benchmarks and 4 synthetic datasets, underscoring our method's efficacy and adaptability. The source code of our method is available at https://github.com/juyongjiang/KaSA.

Xiang Yue, Yueqi Song, Akari Asai, Seungone Kim, JEAN NYANDWI, Simran Khanuja, Anjali Kantharuban, Lintang Sutawika, Sathyanarayanan Ramamoorthy, Graham Neubig

Despite recent advances in multimodal large language models (MLLMs), their development has predominantly focused on English- and western-centric datasets and tasks, leaving most of the world's languages and diverse cultural contexts underrepresented. This paper introduces PANGEA, a multilingual multimodal LLM trained on PANGEAINS, a diverse 6M instruction dataset spanning 39 languages. PANGEAINS features: 1) high-quality English instructions, 2) carefully machine-translated instructions, and 3) culturally relevant multimodal tasks to ensure cross-cultural coverage. To rigorously assess models' capabilities, we introduce PANGEABENCH, a holistic evaluation suite encompassing 14 datasets covering 47 languages. Results show that PANGEA significantly outperforms existing open-source models in multilingual settings and diverse cultural contexts. Ablation studies further reveal the importance of English data proportions, language popularity, and the number of multimodal training samples on overall performance. We fully open-source our data, code, and trained checkpoints, to facilitate the development of inclusive and robust multilingual MLLMs, promoting equity and accessibility across a broader linguistic and cultural spectrum.

Social Aspects · Accountability, Transparency and Interpretability

Julian Minder, Kevin Du, Niklas Stoehr, Giovanni Monea, Chris Wendler, Robert West, Ryan Cotterell

When making predictions, a language model must trade off how much it relies on its context vs. its prior knowledge.Choosing how sensitive the model is to its context is a fundamental functionality, as it enables the model to excel at tasks like retrieval-augmented generation and question-answering. In this paper, we search for a knob which controls this sensitivity, determining whether language models answer from the context or their prior knowledge.To guide this search, we design a task for controllable context sensitivity. In this task, we first feed the model a context ("Paris is in England") and a question ("Where is Paris?"); we then instruct the model to either use its prior or contextual knowledge and evaluate whether it generates the correct answer for both intents (either "France" or "England").When fine-tuned on this task, instruct versions of Llama-3.1, Mistral-v0.3, and Gemma-2 can solve it with high accuracy (85-95%). Analyzing these high-performing models, we narrow down which layers may be important to context sensitivity using a novel linear time algorithm. Then, in each model, we identify a 1-D subspace in a single layer that encodes whether the model follows context or prior knowledge.Interestingly, while we identify this subspace in a fine-tuned model, we find that the exact same subspace serves as an effective knob in not only that model but also non-fine-tuned instruct and base models of that model family.Finally, we show a strong correlation between a model's performance and how distinctly it separates context-agreeing from context-ignoring answers in this subspace.These results suggest a single fundamental subspace facilitates how the model chooses between context and prior knowledge.

Probabilistic Methods · Bayesian Models and Methods

Manuel Gloeckler, Shoji Toyota, Kenji Fukumizu, Jakob Macke

Amortized simulation-based inference (SBI) methods train neural networks on simulated data to perform Bayesian inference. While this strategy avoids the need for tractable likelihoods, it often requires a large number of simulations and has been challenging to scale to time series data. Scientific simulators frequently emulate real-world dynamics through thousands of single-state transitions over time. We propose an SBI approach that can exploit such Markovian simulators by locally identifying parameters consistent with individual state transitions. We then compose these local results to obtain a posterior over parameters that align with the entire time series observation. We focus on applying this approach to neural posterior score estimation but also show how it can be applied, e.g., to neural likelihood (ratio) estimation. We demonstrate that our approach is more simulation-efficient than directly estimating the global posterior on several synthetic benchmark tasks and simulators used in ecology and epidemiology. Finally, we validate scalability and simulation efficiency of our approach by applying it to a high-dimensional Kolmogorov flow simulator with around one million data dimensions.

Deep Learning · Theory

Alexandra Butoi, Ghazal Khalighinejad, Anej Svete, Josef Valvoda, Ryan Cotterell, Brian DuSell

Characterizing the computational power of neural network architectures in terms of formal language theory remains a crucial line of research, as it describes lower and upper bounds on the reasoning capabilities of modern AI. However, when empirically testing these bounds, existing work often leaves a discrepancy between experiments and the formal claims they are meant to support. The problem is that formal language theory pertains specifically to recognizers: machines that receive a string as input and classify whether it belongs to a language. On the other hand, it is common instead to evaluate language models on proxy tasks, e.g., language modeling or sequence-to-sequence transduction, that are similar in only an informal sense to the underlying theory. We correct this mismatch by training and evaluating neural networks directly as binary classifiers of strings, using a general method that can be applied to a wide variety of languages. As part of this, we extend an algorithm recently proposed by Snæbjarnarson et al. (2025) for efficient length-controlled sampling of strings from regular languages. We provide results on a variety of languages across the Chomsky hierarchy for three neural architectures: a simple RNN, an LSTM, and a causally-masked transformer. We find that the RNN and LSTM often outperform the transformer, and that auxiliary training objectives such as language modeling can help, although no single objective uniformly improves performance across languages and architectures. Our contributions will facilitate theoretically sound empirical testing of language recognition claims in future work. We have released our datasets as a benchmark called FLaRe (Formal Language Recognition), along with our code.

Deep Learning · Graph Neural Networks

Charilaos Kanatsoulis, Evelyn Choi, Stefanie Jegelka, Jure Leskovec, Alejandro Ribeiro

Positional encodings (PEs) are essential for effective graph representation learning because they provide position awareness in inherently position-agnostic transformer architectures and increase the expressive capacity of Graph Neural Networks (GNNs). However, designing powerful and efficient PEs for graphs poses significant challenges due to the absence of canonical node ordering and the scale of the graph. In this work, we identify four key properties that graph PEs should satisfy: stability, expressive power, scalability, and genericness. We find that existing eigenvector-based PE methods often fall short of jointly satisfying these criteria. To address this gap, we introduce PEARL, a novel framework of learnable PEs for graphs. Our primary insight is that message-passing GNNs function as nonlinear mappings of eigenvectors, enabling the design of GNN architectures for generating powerful and efficient PEs. A crucial challenge lies in initializing node features in a manner that is both expressive and permutation equivariant. We tackle this by initializing GNNs with random node inputs or standard basis vectors, thereby unlocking the expressive power of message-passing operations, while employing statistical pooling functions to maintain permutation equivariance. Our analysis demonstrates that PEARL approximates equivariant functions of eigenvectors with linear complexity, while rigorously establishing its stability and high expressive power. Experimental evaluations show that PEARL outperforms lightweight versions of eigenvector-based PEs and achieves comparable performance to full eigenvector-based PEs, but with one or two orders of magnitude lower complexity. Our code is available at https://github.com/ehejin/Pearl-PE.

Deep Learning · Large Language Models

Afra Amini, Tim Vieira, Elliott Ash, Ryan Cotterell

Best-of-N (BoN) is a popular and effective algorithm for aligning language models to human preferences. The algorithm works as follows: at inference time, N samples are drawn from the language model, and the sample with the highest reward, as judged by a reward model, is returned as the output. Despite its effectiveness, BoN is computationally expensive; it reduces sampling throughput by a factor of N. To make BoN more efficient at inference time, one strategy is to fine-tune the language model to mimic what BoN does during inference. To achieve this, we derive the distribution induced by the BoN algorithm. We then propose to fine-tune the language model to minimize backward KL divergence to the BoN distribution. Our approach is analogous to mean-field variational inference and, thus, we term it variational BoN (vBoN). To the extent this fine-tuning is successful and we end up with a good approximation, we have reduced the inference cost by a factor of N. Our experiments on controlled generation and summarization tasks show that BoN is the most effective alignment method, and our variational approximation to BoN achieves the closest performance to BoN and surpasses models fine-tuned using the standard KL-constrained RL objective. In the controlled generation task, vBoN appears more frequently on the Pareto frontier of reward and KL divergence compared to other alignment methods. In the summarization task, vBoN achieves high reward values across various sampling temperatures.

Applications · Computer Vision

Jinyang Li, En Yu, Sijia Chen, Wenbing Tao

Open-vocabulary multiple object tracking aims to generalize trackers to unseen categories during training, enabling their application across a variety of real-world scenarios. However, the existing open-vocabulary tracker is constrained by its framework structure, isolated frame-level perception, and insufficient modal interactions, which hinder its performance in open-vocabulary classification and tracking. In this paper, we propose OVTR (End-to-End Open-Vocabulary Multiple Object Tracking with TRansformer), the first end-to-end open-vocabulary tracker that models motion, appearance, and category simultaneously. To achieve stable classification and continuous tracking, we design the CIP (Category Information Propagation) strategy, which establishes multiple high-level category information priors for subsequent frames. Additionally, we introduce a dual-branch structure for generalization capability and deep multimodal interaction, and incorporate protective strategies in the decoder to enhance performance. Experimental results show that our method surpasses previous trackers on the open-vocabulary MOT benchmark while also achieving faster inference speeds and significantly reducing preprocessing requirements. Moreover, the experiment transferring the model to another dataset demonstrates its strong adaptability.

Deep Learning · Other Representation Learning

Yuena Lin, Yiyuan Wang, Gengyu Lyu, Yongjian Deng, Haichun Cai, Huibin Lin, Haobo Wang, Zhen Yang

Multi-view classification aims at unifying the data from multiple views to complementarily enhance the classification performance. Unfortunately, two major problems in multi-view data are damaging model performance. The first is feature heterogeneity, which makes it hard to fuse features from different views. Considering this, we introduce a multi-scale alignment module, including an instance-scale alignment module and a prototype-scale alignment module to mine the commonality from an inter-view perspective and an inter-class perspective respectively, jointly alleviating feature heterogeneity. The second is information redundancy which easily incurs ambiguous data to blur class boundaries and impair model generalization. Therefore, we propose a novel expanded boundary by extending the original class boundary with fuzzy set theory, which adaptively adjusts the boundary to fit ambiguous data. By integrating the expanded boundary into the prototype-scale alignment module, our model further tightens the produced representations and reduces boundary ambiguity. Additionally, compared with the original class boundary, the expanded boundary preserves more margins for classifying unseen data, which guarantees the model generalization. Extensive experiment results across various real-world datasets demonstrate the superiority of the proposed model against existing state-of-the-art methods.

Applications · Computer Vision

Jiwook Kim, Seonho Lee, Jaeyo Shin, Jiho Choi, Hyunjung Shim

Score distillation sampling (SDS) has emerged as an effective framework in text-driven 3D editing tasks, leveraging diffusion models for 3D-consistent editing. However, existing SDS-based 3D editing methods suffer from long training times and produce low-quality results. We identify that the root cause of this performance degradation is their conflict with the sampling dynamics of diffusion models. Addressing this conflict allows us to treat SDS as a diffusion reverse process for 3D editing via sampling from data space. In contrast, existing methods naively distill the score function using diffusion models. From these insights, we propose DreamCatalyst, a novel framework that considers these sampling dynamics in the SDS framework. Specifically, we devise the optimization process of our DreamCatalyst to approximate the diffusion reverse process in editing tasks, thereby aligning with diffusion sampling dynamics. As a result, DreamCatalyst successfully reduces training time and improves editing quality. Our method offers two modes: (1) a fast mode that edits Neural Radiance Fields (NeRF) scenes approximately 23 times faster than current state-of-the-art NeRF editing methods, and (2) a high-quality mode that produces superior results about 8 times faster than these methods. Notably, our high-quality mode outperforms current state-of-the-art NeRF editing methods in terms of both speed and quality. DreamCatalyst also surpasses the state-of-the-art 3D Gaussian Splatting (3DGS) editing methods, establishing itself as an effective and model-agnostic 3D editing solution.

Deep Learning · Self-Supervised Learning

Ivan Butakov, Alexander Semenenko, Alexander Tolmachev, Andrey Gladkov, Marina Munkhoeva, Alexey Frolov

Deep InfoMax (DIM) is a well-established method for self-supervised representation learning (SSRL) based on maximization of the mutual information between the input and the output of a deep neural network encoder. Despite the DIM and contrastive SSRL in general being well-explored, the task of learning representations conforming to a specific distribution (i.e., distribution matching, DM) is still under-addressed. Motivated by the importance of DM to several downstream tasks (including generative modeling, disentanglement, outliers detection and other), we enhance DIM to enable automatic matching of learned representations to a selected prior distribution. To achieve this, we propose injecting an independent noise into the normalized outputs of the encoder, while keeping the same InfoMax training objective. We show that such modification allows for learning uniformly and normally distributed representations, as well as representations of other absolutely continuous distributions. Our approach is tested on various downstream tasks. The results indicate a moderate trade-off between the performance on the downstream tasks and quality of DM.

Deep Learning · Everything Else

Qizhou Wang, Guansong Pang, Mahsa Salehi, Xiaokun Xia, Christopher Leckie

This paper considers an important Graph Anomaly Detection (GAD) task, namely open-set GAD, which aims to train a detection model using a small number of normal and anomaly nodes (referred to as *seen anomalies*) to detect both seen anomalies and *unseen anomalies* (*i.e*., anomalies that cannot be illustrated the training anomalies). Those labelled training data provide crucial prior knowledge about abnormalities for GAD models, enabling substantially reduced detection errors. However, current supervised GAD methods tend to over-emphasise fitting the seen anomalies, leading to many errors of detecting the unseen anomalies as normal nodes. Further, existing open-set AD models were introduced to handle Euclidean data, failing to effectively capture discriminative features from graph structure and node attributes for GAD. In this work, we propose a novel open-set GAD approach, namely $\underline{n}ormal$ $\underline{s}tructure$ $\underline{reg}ularisation$ (**NSReg**), to achieve generalised detection ability to unseen anomalies, while maintaining its effectiveness on detecting seen anomalies. The key idea in NSReg is to introduce a regularisation term that enforces the learning of compact, semantically-rich representations of normal nodes based on their structural relations to other nodes. When being optimised with supervised anomaly detection losses, the regularisation term helps incorporate strong normality into the modelling, and thus, it effectively avoids over-fitting the seen anomalies and learns a better normality decision boundary, largely reducing the false negatives of detecting unseen anomalies as normal. Extensive empirical results on seven real-world datasets show that NSReg significantly outperforms state-of-the-art competing methods by at least 14% AUC-ROC on the unseen anomaly classes and by 10% AUC-ROC on all anomaly classes. Code and datasets are available at https://github.com/mala-lab/NSReg.

Social Aspects · Accountability, Transparency and Interpretability

Tyler Chang, Dheeraj Rajagopal, Tolga Bolukbasi, Lucas Dixon, Ian Tenney

Training data attribution (TDA) methods aim to attribute model outputs back to specific training examples, and the application of these methods to large language model (LLM) outputs could significantly advance model transparency and data curation. However, it has been challenging to date to apply these methods to the full scale of LLM pretraining. In this paper, we refine existing gradient-based methods to work effectively at scale, allowing us to retrieve influential examples for an 8B-parameter language model from a pretraining corpus of over 160B tokens with no need for subsampling or pre-filtering. Our method combines several techniques, including optimizer state correction, a task-specific Hessian approximation, and normalized encodings, which we find to be critical for performance at scale. In quantitative evaluations on a fact tracing task, our method performs best at identifying examples that influence model predictions, but classical, model-agnostic retrieval methods such as BM25 still perform better at finding passages which explicitly contain relevant facts. These results demonstrate a misalignment between factual *attribution* and causal *influence*. With increasing model size and training tokens, we find that influence more closely aligns with factual attribution. Finally, we examine different types of examples identified as influential by our method, finding that while many directly entail a particular fact, others support the same output by reinforcing priors on relation types, common entities, and names. We release our prompt set and model outputs, along with a web-based visualization tool to explore influential examples for factual predictions, commonsense reasoning, arithmetic, and open-ended generation for an 8B-parameter LLM.

Theory · Learning Theory

Behrooz Tahmasebi, Stefanie Jegelka

Canonicalization, a popular method for generating invariant or equivariant function classes from arbitrary function sets, involves initial data projection onto a reduced input space subset, followed by applying any learning method to the projected dataset. Despite recent research on the expressive power and continuity of functions represented by canonicalization, its generalization capabilities remain less explored. This paper addresses this gap by theoretically examining the generalization benefits and sample complexity of canonicalization, comparing them with group averaging, another popular technique for creating invariant or equivariant function classes. Our findings reveal two distinct regimes where canonicalization may outperform or underperform compared to group averaging, with precise quantification of this phase transition in terms of sample size, group action characteristics, and a newly introduced concept of alignment.To the best of our knowledge, this study represents the first theoretical exploration of such behavior, offering insights into the relative effectiveness of canonicalization and group averaging under varying conditions.

Deep Learning · Everything Else

Nimrod Shabtay, Felipe Maia Polo, Sivan Doveh, Wei Lin, Muhammad Jehanzeb Mirza, Leshem Choshen, Mikhail Yurochkin, Yuekai Sun, Assaf Arbelle, Leonid Karlinsky 等

The large-scale training of multi-modal models on data scraped from the web has shown outstanding utility in infusing these models with the required world knowledge to perform effectively on multiple downstream tasks. However, one downside of scraping data from the web can be the potential sacrifice of the benchmarks on which the abilities of these models are often evaluated. To safeguard against test data contamination and to truly test the abilities of these foundation models we propose LiveXiv: A scalable evolving live benchmark based on scientific ArXiv papers. LiveXiv accesses domain-specific manuscripts at any given timestamp and proposes to automatically generate visual question-answer pairs (VQA). This is done without any human-in-the-loop, using the multi-modal content in the manuscripts, like graphs, charts, and tables. Moreover, we introduce an efficient evaluation approach that estimates the performance of all models on the evolving benchmark using evaluations of only a subset of models. This significantly reduces the overall evaluation cost. We benchmark multiple open and proprietary Large Multi-modal Models (LMMs) on the first version of our benchmark, showing its challenging nature and exposing the models’ true abilities, avoiding contamination. Lastly, in our commitment to high quality, we have collected and evaluated a manually verified subset. By comparing its overall results to our automatic annotations, we have found that the performance variance is indeed minimal (<2.5%). Our dataset is available online on HuggingFace, and our code is available here.

Deep Learning · Theory

Levi Rauchwerger, Stefanie Jegelka, Ron Levie

We analyze the universality and generalization of graph neural networks (GNNs) on attributed graphs, i.e., with node attributes. To this end, we propose pseudometrics over the space of all attributed graphs that describe the fine-grained expressivity of GNNs. Namely, GNNs are both Lipschitz continuous with respect to our pseudometrics and can separate attributed graphs that are distant in the metric. Moreover, we prove that the space of all attributed graphs is relatively compact with respect to our metrics. Based on these properties, we prove a universal approximation theorem for GNNs and generalization bounds for GNNs on any data distribution of attributed graphs. The proposed metrics compute the similarity between the structures of attributed graphs via a hierarchical optimal transport between computation trees. Our work extends and unites previous approaches which either derived theory only for graphs with no attributes, derived compact metrics under which GNNs are continuous but without separation power, or derived metrics under which GNNs are continuous and separate points but the space of graphs is not relatively compact, which prevents universal approximation and generalization analysis.

Deep Learning · Graph Neural Networks

Daniel Herbst, Stefanie Jegelka

Graph limit models, like *graphons* for limits of dense graphs, have recently been used to study size transferability of graph neural networks (GNNs). While most literature focuses on message passing GNNs (MPNNs), in this work we attend to the more powerful *higher-order* GNNs. First, we extend the $k$-WL test for graphons (Böker, 2023) to the graphon-signal space and introduce *signal-weighted homomorphism densities* as a key tool. As an exemplary focus, we generalize *Invariant Graph Networks* (IGNs) to graphons, proposing *Invariant Graphon Networks* (IWNs) defined via a subset of the IGN basis corresponding to bounded linear operators. Even with this restricted basis, we show that IWNs of order $k$ are at least as powerful as the $k$-WL test, and we establish universal approximation results for graphon-signals in $L^p$ distances. This significantly extends the prior work of Cai & Wang (2022), showing that IWNs—a subset of their *IGN-small*—retain effectively the same expressivity as the full IGN basis in the limit. In contrast to their approach, our blueprint of IWNs also aligns better with the geometry of graphon space, for example facilitating comparability to MPNNs. We highlight that, while typical higher-order GNNs are discontinuous w.r.t.\ cut distance—which causes their lack of convergence and is inherently tied to the definition of $k$-WL—their transferability remains comparable to MPNNs.

Social Aspects · Trustworthy Machine Learning

Seamus Somerstep, Felipe Maia Polo, Moulinath Banerjee, Yaacov Ritov, Mikhail Yurochkin, Yuekai Sun

Modern large language model (LLM) alignment techniques rely on human feedback, but it is unclear whether the techniques fundamentally limit the capabilities of aligned LLMs. In particular, it is unclear whether it is possible to align (stronger) LLMs with superhuman capabilities with (weaker) human feedback *without degrading their capabilities*. This is an instance of the weak-to-strong generalization problem: using weaker (less capable) feedback to train a stronger (more capable) model. We prove that weak-to-strong generalization is possible by eliciting latent knowledge from pre-trained LLMs. In particular, we cast the weak-to-strong generalization problem as a transfer learning problem in which we wish to transfer a latent concept from a weak model to a strong pre-trained model. We prove that a naive fine-tuning approach suffers from fundamental limitations, but an alternative refinement-based approach suggested by the problem structure provably overcomes the limitations of fine-tuning. Finally, we demonstrate the practical applicability of the refinement approach in multiple LLM alignment tasks.

Social Aspects · Accountability, Transparency and Interpretability

Chung-En Sun, Tuomas Oikarinen, Berk Ustun, Tsui-Wei Weng

We introduce Concept Bottleneck Large Language Models (CB-LLMs), a novel framework for building inherently interpretable Large Language Models (LLMs). In contrast to traditional black-box LLMs that rely on limited post-hoc interpretations, CB-LLMs integrate intrinsic interpretability directly into the LLMs -- allowing accurate explanations with scalability and transparency. We build CB-LLMs for two essential NLP tasks: text classification and text generation. In text classification, CB-LLMs is competitive with, and at times outperforms, traditional black-box models while providing explicit and interpretable reasoning. For the more challenging task of text generation, interpretable neurons in CB-LLMs enable precise concept detection, controlled generation, and safer outputs. The embedded interpretability empowers users to transparently identify harmful content, steer model behavior, and unlearn undesired concepts -- significantly enhancing the safety, reliability, and trustworthiness of LLMs, which are critical capabilities notably absent in existing language models.

Theory · Optimization

Steffen Schotthöfer, Emanuele Zangrando, Gianluca Ceruti, Francesco Tudisco, Jonas Kusch

Low-Rank Adaptation (LoRA) has become a widely used method for parameter-efficient fine-tuning of large-scale, pre-trained neural networks. However, LoRA and its extensions face several challenges, including the need for rank adaptivity, robustness, and computational efficiency during the fine-tuning process. We introduce GeoLoRA, a novel approach that addresses these limitations by leveraging dynamical low-rank approximation theory. GeoLoRA requires only a single backpropagation pass over the small-rank adapters, significantly reducing computational cost as compared to similar dynamical low-rank training methods and making it faster than popular baselines such as AdaLoRA. This allows GeoLoRA to efficiently adapt the allocated parameter budget across the model, achieving smaller low-rank adapters compared to heuristic methods like AdaLoRA and LoRA, while maintaining critical convergence, descent, and error-bound theoretical guarantees. The resulting method is not only more efficient but also more robust to varying hyperparameter settings. We demonstrate the effectiveness of GeoLoRA on several state-of-the-art benchmarks, showing that it outperforms existing methods in bothaccuracy and computational efficiency