Daily Papers

This is a handbook of simple proofs of the convergence of gradient and stochastic gradient descent type methods. We consider functions that are Lipschitz, smooth, convex, strongly convex, and/or Polyak-{\L}ojasiewicz functions. Our focus is on ``good proofs'' that are also simple. Each section can be consulted separately. We start with proofs of gradient descent, then on stochastic variants, including minibatching and momentum. Then move on to nonsmooth problems with the subgradient method, the proximal gradient descent and their stochastic variants. Our focus is on global convergence rates and complexity rates. Some slightly less common proofs found here include that of SGD (Stochastic gradient descent) with a proximal step, with momentum, and with mini-batching without replacement.

Open-vocabulary Object Goal Navigation requires an embodied agent to reach objects described by free-form language, including categories never seen during training. Existing end-to-end policies overfit small simulator datasets, achieving high success on training scenes but failing to generalize and exhibiting unsafe behaviour (frequent collisions). We introduce OVSegDT, a lightweight transformer policy that tackles these issues with two synergistic components. The first component is the semantic branch, which includes an encoder for the target binary mask and an auxiliary segmentation loss function, grounding the textual goal and providing precise spatial cues. The second component consists of a proposed Entropy-Adaptive Loss Modulation, a per-sample scheduler that continuously balances imitation and reinforcement signals according to the policy entropy, eliminating brittle manual phase switches. These additions cut the sample complexity of training by 33%, and reduce collision count in two times while keeping inference cost low (130M parameters, RGB-only input). On HM3D-OVON, our model matches the performance on unseen categories to that on seen ones and establishes state-of-the-art results (40.1% SR, 20.9% SPL on val unseen) without depth, odometry, or large vision-language models. Code is available at https://github.com/CognitiveAISystems/OVSegDT.

In mixtures-of-experts (ME) model, where a number of submodels (experts) are combined, there have been two longstanding problems: (i) how many experts should be chosen, given the size of the training data? (ii) given the total number of parameters, is it better to use a few very complex experts, or is it better to combine many simple experts? In this paper, we try to provide some insights to these problems through a theoretic study on a ME structure where m experts are mixed, with each expert being related to a polynomial regression model of order k. We study the convergence rate of the maximum likelihood estimator (MLE), in terms of how fast the Kullback-Leibler divergence of the estimated density converges to the true density, when the sample size n increases. The convergence rate is found to be dependent on both m and k, and certain choices of m and k are found to produce optimal convergence rates. Therefore, these results shed light on the two aforementioned important problems: on how to choose m, and on how m and k should be compromised, for achieving good convergence rates.

Learning complex functions that involve multi-step reasoning poses a significant challenge for standard supervised learning from input-output examples. Chain-of-thought (CoT) supervision, which provides intermediate reasoning steps together with the final output, has emerged as a powerful empirical technique, underpinning much of the recent progress in the reasoning capabilities of large language models. This paper develops a statistical theory of learning under CoT supervision. A key characteristic of the CoT setting, in contrast to standard supervision, is the mismatch between the training objective (CoT risk) and the test objective (end-to-end risk). A central part of our analysis, distinguished from prior work, is explicitly linking those two types of risk to achieve sharper sample complexity bounds. This is achieved via the *CoT information measure* I_{D, h_star}^{CoT}(epsilon; calH), which quantifies the additional discriminative power gained from observing the reasoning process. The main theoretical results demonstrate how CoT supervision can yield significantly faster learning rates compared to standard E2E supervision. Specifically, it is shown that the sample complexity required to achieve a target E2E error epsilon scales as d/I_{D, h_star}^{CoT}(epsilon; calH), where d is a measure of hypothesis class complexity, which can be much faster than standard d/epsilon rates. Information-theoretic lower bounds in terms of the CoT information are also obtained. Together, these results suggest that CoT information is a fundamental measure of statistical complexity for learning under chain-of-thought supervision.

We address the challenge of exploration in reinforcement learning (RL) when the agent operates in an unknown environment with sparse or no rewards. In this work, we study the maximum entropy exploration problem of two different types. The first type is visitation entropy maximization previously considered by Hazan et al.(2019) in the discounted setting. For this type of exploration, we propose a game-theoretic algorithm that has mathcal{O}(H^3S^2A/varepsilon^2) sample complexity thus improving the varepsilon-dependence upon existing results, where S is a number of states, A is a number of actions, H is an episode length, and varepsilon is a desired accuracy. The second type of entropy we study is the trajectory entropy. This objective function is closely related to the entropy-regularized MDPs, and we propose a simple algorithm that has a sample complexity of order mathcal{O}(poly(S,A,H)/varepsilon). Interestingly, it is the first theoretical result in RL literature that establishes the potential statistical advantage of regularized MDPs for exploration. Finally, we apply developed regularization techniques to reduce sample complexity of visitation entropy maximization to mathcal{O}(H^2SA/varepsilon^2), yielding a statistical separation between maximum entropy exploration and reward-free exploration.

Pruning neural networks has become popular in the last decade when it was shown that a large number of weights can be safely removed from modern neural networks without compromising accuracy. Numerous pruning methods have been proposed since then, each claiming to be better than the previous. Many state-of-the-art (SOTA) techniques today rely on complex pruning methodologies utilizing importance scores, getting feedback through back-propagation or having heuristics-based pruning rules amongst others. In this work, we question whether this pattern of introducing complexity is really necessary to achieve better pruning results. We benchmark these SOTA techniques against a naive pruning baseline, namely, Global Magnitude Pruning (Global MP). Global MP ranks weights in order of their magnitudes and prunes the smallest ones. Hence, in its vanilla form, it is one of the simplest pruning techniques. Surprisingly, we find that vanilla Global MP outperforms all the other SOTA techniques and achieves a new SOTA result. It also achieves promising performance on FLOPs sparsification, which we find is enhanced, when pruning is conducted in a gradual fashion. We also find that Global MP is generalizable across tasks, datasets, and models with superior performance. Moreover, a common issue that many pruning algorithms run into at high sparsity rates, namely, layer-collapse, can be easily fixed in Global MP by setting a minimum threshold of weights to be retained in each layer. Lastly, unlike many other SOTA techniques, Global MP does not require any additional algorithm specific hyper-parameters and is very straightforward to tune and implement. We showcase our findings on various models (WRN-28-8, ResNet-32, ResNet-50, MobileNet-V1 and FastGRNN) and multiple datasets (CIFAR-10, ImageNet and HAR-2). Code is available at https://github.com/manasgupta-1/GlobalMP.

How can "weak teacher models" such as average human annotators or existing AI systems, effectively supervise LLMs to improve performance on hard reasoning tasks, especially those that challenge and requires expertise or daily practice from the teacher models? In this paper, we seek for empirical answers to this question by investigating various data-driven strategies that offer supervision data at different quality levels upon tasks of varying complexity. Two intuitive strategies emerge for teacher models to provide supervision during alignment training: 1) using lower-quality supervision from complete tasks that match the difficulty of the target reasoning tasks, and 2) leveraging higher-quality supervision from easier subtasks that are less challenging. Interestingly, we find that even when the outcome error rate for hard task supervision is high (e.g., 90\%), training on such data can outperform perfectly correct supervision on easier subtasks on multiple hard math benchmarks. We further identify a more critical factor influencing training performance: step-wise error rates, which indicate the severity of errors in solutions. Specifically, training on hard task supervision with the same outcome error rates but disparate step-wise error rates can lead to a 30\% accuracy gap on MATH benchmark. Our results also reveal that supplementing hard task supervision with the corresponding subtask supervision can yield notable performance improvements than simply combining rephrased hard full task supervision, suggesting new avenues for data augmentation. Data and code are released at https://github.com/hexuan21/Weak-to-Strong.

We study the problem of approximating stationary points of Lipschitz and smooth functions under (varepsilon,delta)-differential privacy (DP) in both the finite-sum and stochastic settings. A point w is called an alpha-stationary point of a function F:R^drightarrowR if |nabla F(w)|leq alpha. We provide a new efficient algorithm that finds an Obig(big[sqrt{d}{nvarepsilon}big]^{2/3}big)-stationary point in the finite-sum setting, where n is the number of samples. This improves on the previous best rate of Obig(big[sqrt{d}{nvarepsilon}big]^{1/2}big). We also give a new construction that improves over the existing rates in the stochastic optimization setting, where the goal is to find approximate stationary points of the population risk. Our construction finds a Obig(1{n^{1/3}} + big[sqrt{d}{nvarepsilon}big]^{1/2}big)-stationary point of the population risk in time linear in n. Furthermore, under the additional assumption of convexity, we completely characterize the sample complexity of finding stationary points of the population risk (up to polylog factors) and show that the optimal rate on population stationarity is tilde Thetabig(1{n}+sqrt{d}{nvarepsilon}big). Finally, we show that our methods can be used to provide dimension-independent rates of Obig(1{n}+minbig(big[sqrt{rank}{nvarepsilon}big]^{2/3},1{(nvarepsilon)^{2/5}}big)big) on population stationarity for Generalized Linear Models (GLM), where rank is the rank of the design matrix, which improves upon the previous best known rate.

In this paper, we propose the Dynamic Latent Frame Rate VAE (DLFR-VAE), a training-free paradigm that can make use of adaptive temporal compression in latent space. While existing video generative models apply fixed compression rates via pretrained VAE, we observe that real-world video content exhibits substantial temporal non-uniformity, with high-motion segments containing more information than static scenes. Based on this insight, DLFR-VAE dynamically adjusts the latent frame rate according to the content complexity. Specifically, DLFR-VAE comprises two core innovations: (1) A Dynamic Latent Frame Rate Scheduler that partitions videos into temporal chunks and adaptively determines optimal frame rates based on information-theoretic content complexity, and (2) A training-free adaptation mechanism that transforms pretrained VAE architectures into a dynamic VAE that can process features with variable frame rates. Our simple but effective DLFR-VAE can function as a plug-and-play module, seamlessly integrating with existing video generation models and accelerating the video generation process.

We present an end-to-end and practical randomness amplification and privatisation protocol based on Bell tests. This allows the building of device-independent random number generators which output (near-)perfectly unbiased and private numbers, even if using an uncharacterised quantum device potentially built by an adversary. Our generation rates are linear in the repetition rate of the quantum device and the classical randomness post-processing has quasi-linear complexity - making it efficient on a standard personal laptop. The statistical analysis is also tailored for real-world quantum devices. Our protocol is then showcased on several different quantum computers. Although not purposely built for the task, we show that quantum computers can run faithful Bell tests by adding minimal assumptions. In this semi-device-independent manner, our protocol generates (near-)perfectly unbiased and private random numbers on today's quantum computers.

Neural networks are capable of translating between languages -- in some cases even between two languages where there is little or no access to parallel translations, in what is known as Unsupervised Machine Translation (UMT). Given this progress, it is intriguing to ask whether machine learning tools can ultimately enable understanding animal communication, particularly that of highly intelligent animals. We propose a theoretical framework for analyzing UMT when no parallel translations are available and when it cannot be assumed that the source and target corpora address related subject domains or posses similar linguistic structure. We exemplify this theory with two stylized models of language, for which our framework provides bounds on necessary sample complexity; the bounds are formally proven and experimentally verified on synthetic data. These bounds show that the error rates are inversely related to the language complexity and amount of common ground. This suggests that unsupervised translation of animal communication may be feasible if the communication system is sufficiently complex.

We present an open-source Python library for simulating two-dimensional incompressible Kelvin-Helmholtz instabilities in stratified shear flows. The solver employs a fractional-step projection method with spectral Poisson solution via Fast Sine Transform, achieving second-order spatial accuracy. Implementation leverages NumPy, SciPy, and Numba JIT compilation for efficient computation. Four canonical test cases explore Reynolds numbers 1000--5000 and Richardson numbers 0.1--0.3: classical shear layer, double shear configuration, rotating flow, and forced turbulence. Statistical analysis using Shannon entropy and complexity indices reveals that double shear layers achieve 2.8times higher mixing rates than forced turbulence despite lower Reynolds numbers. The solver runs efficiently on standard desktop hardware, with 384times192 grid simulations completing in approximately 31 minutes. Results demonstrate that mixing efficiency depends on instability generation pathways rather than intensity measures alone, challenging Richardson number-based parameterizations and suggesting refinements for subgrid-scale representation in climate models.

Mathematical reasoning in Large Language Models (LLMs) is often evaluated using benchmarks with limited numerical ranges, failing to reflect real-world problem-solving across diverse scales. Furthermore, most existing evaluation methods only compare model outputs to ground-truth answers, obscuring insights into reasoning processes. To address these limitations, we introduce GSM-Ranges, a dataset generator derived from GSM8K that systematically perturbs numerical values in math problems to assess model robustness across varying numerical scales. Additionally, we propose a novel grading methodology that distinguishes between logical and non-logical errors, offering a more precise evaluation of reasoning processes beyond computational accuracy. Our experiments with various models reveal a significant increase in logical error rates-up to 14 percentage points-as numerical complexity rises, demonstrating a general weakness in reasoning with out-of-distribution numerical values. Moreover, while models demonstrate high accuracy on standalone arithmetic tasks, their performance deteriorates substantially when computations are embedded within word problems. These findings provide a comprehensive evaluation of LLMs' mathematical reasoning capabilities and inform future research directions for improving numerical generalization in language models.

In the current cybersecurity landscape, protecting military devices such as communication and battlefield management systems against sophisticated cyber attacks is crucial. Malware exploits vulnerabilities through stealth methods, often evading traditional detection mechanisms such as software signatures. The application of ML/DL in vulnerability detection has been extensively explored in the literature. However, current ML/DL vulnerability detection methods struggle with understanding the context and intent behind complex attacks. Integrating large language models (LLMs) with system call analysis offers a promising approach to enhance malware detection. This work presents a novel framework leveraging LLMs to classify malware based on system call data. The framework uses transfer learning to adapt pre-trained LLMs for malware detection. By retraining LLMs on a dataset of benign and malicious system calls, the models are refined to detect signs of malware activity. Experiments with a dataset of over 1TB of system calls demonstrate that models with larger context sizes, such as BigBird and Longformer, achieve superior accuracy and F1-Score of approximately 0.86. The results highlight the importance of context size in improving detection rates and underscore the trade-offs between computational complexity and performance. This approach shows significant potential for real-time detection in high-stakes environments, offering a robust solution to evolving cyber threats.

Exploiting partial first-order information in a cyclic way is arguably the most natural strategy to obtain scalable first-order methods. However, despite their wide use in practice, cyclic schemes are far less understood from a theoretical perspective than their randomized counterparts. Motivated by a recent success in analyzing an extrapolated cyclic scheme for generalized variational inequalities, we propose an Accelerated Cyclic Coordinate Dual Averaging with Extrapolation (A-CODER) method for composite convex optimization, where the objective function can be expressed as the sum of a smooth convex function accessible via a gradient oracle and a convex, possibly nonsmooth, function accessible via a proximal oracle. We show that A-CODER attains the optimal convergence rate with improved dependence on the number of blocks compared to prior work. Furthermore, for the setting where the smooth component of the objective function is expressible in a finite sum form, we introduce a variance-reduced variant of A-CODER, VR-A-CODER, with state-of-the-art complexity guarantees. Finally, we demonstrate the effectiveness of our algorithms through numerical experiments.

Predicting case outcomes is useful but still an extremely hard task for attorneys and other Law professionals. It is not easy to search case information to extract valuable information as this requires dealing with huge data sets and their complexity. For instance, the complexity of Brazil legal system along with the high litigation rates makes this problem even harder. This paper introduces an approach for predicting Brazilian court decisions which is also able to predict whether the decision will be unanimous. We developed a working prototype which performs 79% of accuracy (F1-score) on a data set composed of 4,043 cases from a Brazilian court. To our knowledge, this is the first study to forecast judge decisions in Brazil.

Recent advancements in implicit neural representations have contributed to high-fidelity surface reconstruction and photorealistic novel view synthesis. However, the computational complexity inherent in these methodologies presents a substantial impediment, constraining the attainable frame rates and resolutions in practical applications. In response to this predicament, we propose VQ-NeRF, an effective and efficient pipeline for enhancing implicit neural representations via vector quantization. The essence of our method involves reducing the sampling space of NeRF to a lower resolution and subsequently reinstating it to the original size utilizing a pre-trained VAE decoder, thereby effectively mitigating the sampling time bottleneck encountered during rendering. Although the codebook furnishes representative features, reconstructing fine texture details of the scene remains challenging due to high compression rates. To overcome this constraint, we design an innovative multi-scale NeRF sampling scheme that concurrently optimizes the NeRF model at both compressed and original scales to enhance the network's ability to preserve fine details. Furthermore, we incorporate a semantic loss function to improve the geometric fidelity and semantic coherence of our 3D reconstructions. Extensive experiments demonstrate the effectiveness of our model in achieving the optimal trade-off between rendering quality and efficiency. Evaluation on the DTU, BlendMVS, and H3DS datasets confirms the superior performance of our approach.

Neural material representations are becoming a popular way to represent materials for rendering. They are more expressive than analytic models and occupy less memory than tabulated BTFs. However, existing neural materials are immutable, meaning that their output for a certain query of UVs, camera, and light vector is fixed once they are trained. While this is practical when there is no need to edit the material, it can become very limiting when the fragment of the material used for training is too small or not tileable, which frequently happens when the material has been captured with a gonioreflectometer. In this paper, we propose a novel neural material representation which jointly tackles the problems of BTF compression, tiling, and extrapolation. At test time, our method uses a guidance image as input to condition the neural BTF to the structural features of this input image. Then, the neural BTF can be queried as a regular BTF using UVs, camera, and light vectors. Every component in our framework is purposefully designed to maximize BTF encoding quality at minimal parameter count and computational complexity, achieving competitive compression rates compared with previous work. We demonstrate the results of our method on a variety of synthetic and captured materials, showing its generality and capacity to learn to represent many optical properties.

This work proposes a Momentum-Enabled Kronecker-Factor-Based Optimizer Using Rank-1 updates, called MKOR, that improves the training time and convergence properties of deep neural networks (DNNs). Second-order techniques, while enjoying higher convergence rates vs first-order counterparts, have cubic complexity with respect to either the model size and/or the training batch size. Hence they exhibit poor scalability and performance in transformer models, e.g. large language models (LLMs), because the batch sizes in these models scale by the attention mechanism sequence length, leading to large model size and batch sizes. MKOR's complexity is quadratic with respect to the model size, alleviating the computation bottlenecks in second-order methods. Because of their high computation complexity, state-of-the-art implementations of second-order methods can only afford to update the second order information infrequently, and thus do not fully exploit the promise of better convergence from these updates. By reducing the communication complexity of the second-order updates as well as achieving a linear communication complexity, MKOR increases the frequency of second order updates. We also propose a hybrid version of MKOR (called MKOR-H) that mid-training falls backs to a first order optimizer if the second order updates no longer accelerate convergence. Our experiments show that MKOR outperforms state -of-the-art first order methods, e.g. the LAMB optimizer, and best implementations of second-order methods, i.e. KAISA/KFAC, up to 2.57x and 1.85x respectively on BERT-Large-Uncased on 64 GPUs.

We present CrystalDiT, a diffusion transformer for crystal structure generation that achieves state-of-the-art performance by challenging the trend of architectural complexity. Instead of intricate, multi-stream designs, CrystalDiT employs a unified transformer that imposes a powerful inductive bias: treating lattice and atomic properties as a single, interdependent system. Combined with a periodic table-based atomic representation and a balanced training strategy, our approach achieves 9.62% SUN (Stable, Unique, Novel) rate on MP-20, substantially outperforming recent methods including FlowMM (4.38%) and MatterGen (3.42%). Notably, CrystalDiT generates 63.28% unique and novel structures while maintaining comparable stability rates, demonstrating that architectural simplicity can be more effective than complexity for materials discovery. Our results suggest that in data-limited scientific domains, carefully designed simple architectures outperform sophisticated alternatives that are prone to overfitting.

Retrieval-augmented generation (RAG) enhances large language models (LLMs) with external knowledge but incurs significant inference costs due to lengthy retrieved contexts. While context compression mitigates this issue, existing methods apply fixed compression rates, over-compressing simple queries or under-compressing complex ones. We propose Adaptive Context Compression for RAG (ACC-RAG), a framework that dynamically adjusts compression rates based on input complexity, optimizing inference efficiency without sacrificing accuracy. ACC-RAG combines a hierarchical compressor (for multi-granular embeddings) with a context selector to retain minimal sufficient information, akin to human skimming. Evaluated on Wikipedia and five QA datasets, ACC-RAG outperforms fixed-rate methods and matches/unlocks over 4 times faster inference versus standard RAG while maintaining or improving accuracy.

In the ever-evolving digital audio landscape, Spotify, well-known for its music and talk content, has recently introduced audiobooks to its vast user base. While promising, this move presents significant challenges for personalized recommendations. Unlike music and podcasts, audiobooks, initially available for a fee, cannot be easily skimmed before purchase, posing higher stakes for the relevance of recommendations. Furthermore, introducing a new content type into an existing platform confronts extreme data sparsity, as most users are unfamiliar with this new content type. Lastly, recommending content to millions of users requires the model to react fast and be scalable. To address these challenges, we leverage podcast and music user preferences and introduce 2T-HGNN, a scalable recommendation system comprising Heterogeneous Graph Neural Networks (HGNNs) and a Two Tower (2T) model. This novel approach uncovers nuanced item relationships while ensuring low latency and complexity. We decouple users from the HGNN graph and propose an innovative multi-link neighbor sampler. These choices, together with the 2T component, significantly reduce the complexity of the HGNN model. Empirical evaluations involving millions of users show significant improvement in the quality of personalized recommendations, resulting in a +46% increase in new audiobooks start rate and a +23% boost in streaming rates. Intriguingly, our model's impact extends beyond audiobooks, benefiting established products like podcasts.

Generalist Large Language Models (LLMs), such as GPT-4, have shown considerable promise in various domains, including medical diagnosis. Rare diseases, affecting approximately 300 million people worldwide, often have unsatisfactory clinical diagnosis rates primarily due to a lack of experienced physicians and the complexity of differentiating among many rare diseases. In this context, recent news such as "ChatGPT correctly diagnosed a 4-year-old's rare disease after 17 doctors failed" underscore LLMs' potential, yet underexplored, role in clinically diagnosing rare diseases. To bridge this research gap, we introduce RareBench, a pioneering benchmark designed to systematically evaluate the capabilities of LLMs on 4 critical dimensions within the realm of rare diseases. Meanwhile, we have compiled the largest open-source dataset on rare disease patients, establishing a benchmark for future studies in this domain. To facilitate differential diagnosis of rare diseases, we develop a dynamic few-shot prompt methodology, leveraging a comprehensive rare disease knowledge graph synthesized from multiple knowledge bases, significantly enhancing LLMs' diagnostic performance. Moreover, we present an exhaustive comparative study of GPT-4's diagnostic capabilities against those of specialist physicians. Our experimental findings underscore the promising potential of integrating LLMs into the clinical diagnostic process for rare diseases. This paves the way for exciting possibilities in future advancements in this field.

Code Agent development is an extremely active research area, where a reliable performance metric is critical for tracking progress and guiding new developments. This demand is underscored by the meteoric rise in popularity of SWE-Bench. This benchmark challenges code agents to generate patches addressing GitHub issues given the full repository as context. The correctness of generated patches is then evaluated by executing a human-written test suite extracted from the repository after the issue's resolution. However, constructing benchmarks like SWE-Bench requires substantial manual effort to set up historically accurate execution environments for testing. Crucially, this severely limits the number of considered repositories, e.g., just 12 for SWE-Bench. Considering so few repositories, selected for their popularity runs the risk of leading to a distributional mismatch, i.e., the measured performance may not be representative of real-world scenarios potentially misguiding development efforts. In this work, we address this challenge and introduce SetUpAgent, a fully automated system capable of historically accurate dependency setup, test execution, and result parsing. Using SetUpAgent, we generate two new datasets: (i) SWEE-Bench an extended version of SWE-Bench encompassing hundreds of repositories, and (ii) SWA-Bench a benchmark focusing on applications rather than libraries. Comparing these datasets to SWE-Bench with respect to their characteristics and code agent performance, we find significant distributional differences, including lower issue description quality and detail level, higher fix complexity, and most importantly up to 40% lower agent success rates.

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

In this paper, we investigate which questions are challenging for retrieval-based Question Answering (QA). We (i) propose retrieval complexity (RC), a novel metric conditioned on the completeness of retrieved documents, which measures the difficulty of answering questions, and (ii) propose an unsupervised pipeline to measure RC given an arbitrary retrieval system. Our proposed pipeline measures RC more accurately than alternative estimators, including LLMs, on six challenging QA benchmarks. Further investigation reveals that RC scores strongly correlate with both QA performance and expert judgment across five of the six studied benchmarks, indicating that RC is an effective measure of question difficulty. Subsequent categorization of high-RC questions shows that they span a broad set of question shapes, including multi-hop, compositional, and temporal QA, indicating that RC scores can categorize a new subset of complex questions. Our system can also have a major impact on retrieval-based systems by helping to identify more challenging questions on existing datasets.

Few neural architectures lend themselves to provable learning with gradient based methods. One popular model is the single-index model, in which labels are produced by composing an unknown linear projection with a possibly unknown scalar link function. Learning this model with SGD is relatively well-understood, whereby the so-called information exponent of the link function governs a polynomial sample complexity rate. However, extending this analysis to deeper or more complicated architectures remains challenging. In this work, we consider single index learning in the setting of symmetric neural networks. Under analytic assumptions on the activation and maximum degree assumptions on the link function, we prove that gradient flow recovers the hidden planted direction, represented as a finitely supported vector in the feature space of power sum polynomials. We characterize a notion of information exponent adapted to our setting that controls the efficiency of learning.

Understanding how humans perceive visual complexity is a key area of study in visual cognition. Previous approaches to modeling visual complexity assessments have often resulted in intricate, difficult-to-interpret algorithms that employ numerous features or sophisticated deep learning architectures. While these complex models achieve high performance on specific datasets, they often sacrifice interpretability, making it challenging to understand the factors driving human perception of complexity. Recently (Shen, et al. 2024) proposed an interpretable segmentation-based model that accurately predicted complexity across various datasets, supporting the idea that complexity can be explained simply. In this work, we investigate the failure of their model to capture structural, color and surprisal contributions to complexity. To this end, we propose Multi-Scale Sobel Gradient (MSG) which measures spatial intensity variations, Multi-Scale Unique Color (MUC) which quantifies colorfulness across multiple scales, and surprise scores generated using a Large Language Model. We test our features on existing benchmarks and a novel dataset (Surprising Visual Genome) containing surprising images from Visual Genome. Our experiments demonstrate that modeling complexity accurately is not as simple as previously thought, requiring additional perceptual and semantic factors to address dataset biases. Our model improves predictive performance while maintaining interpretability, offering deeper insights into how visual complexity is perceived and assessed. Our code, analysis and data are available at https://github.com/Complexity-Project/Complexity-in-Complexity.

We explore the emergence of intelligent behavior in artificial systems by investigating how the complexity of rule-based systems influences the capabilities of models trained to predict these rules. Our study focuses on elementary cellular automata (ECA), simple yet powerful one-dimensional systems that generate behaviors ranging from trivial to highly complex. By training distinct Large Language Models (LLMs) on different ECAs, we evaluated the relationship between the complexity of the rules' behavior and the intelligence exhibited by the LLMs, as reflected in their performance on downstream tasks. Our findings reveal that rules with higher complexity lead to models exhibiting greater intelligence, as demonstrated by their performance on reasoning and chess move prediction tasks. Both uniform and periodic systems, and often also highly chaotic systems, resulted in poorer downstream performance, highlighting a sweet spot of complexity conducive to intelligence. We conjecture that intelligence arises from the ability to predict complexity and that creating intelligence may require only exposure to complexity.

Recent studies suggest that deep learning models inductive bias towards favoring simpler features may be one of the sources of shortcut learning. Yet, there has been limited focus on understanding the complexity of the myriad features that models learn. In this work, we introduce a new metric for quantifying feature complexity, based on V-information and capturing whether a feature requires complex computational transformations to be extracted. Using this V-information metric, we analyze the complexities of 10,000 features, represented as directions in the penultimate layer, that were extracted from a standard ImageNet-trained vision model. Our study addresses four key questions: First, we ask what features look like as a function of complexity and find a spectrum of simple to complex features present within the model. Second, we ask when features are learned during training. We find that simpler features dominate early in training, and more complex features emerge gradually. Third, we investigate where within the network simple and complex features flow, and find that simpler features tend to bypass the visual hierarchy via residual connections. Fourth, we explore the connection between features complexity and their importance in driving the networks decision. We find that complex features tend to be less important. Surprisingly, important features become accessible at earlier layers during training, like a sedimentation process, allowing the model to build upon these foundational elements.

In the context of distributed synchronous computing, processors perform in rounds, and the time-complexity of a distributed algorithm is classically defined as the number of rounds before all computing nodes have output. Hence, this complexity measure captures the running time of the slowest node(s). In this paper, we are interested in the running time of the ordinary nodes, to be compared with the running time of the slowest nodes. The node-averaged time-complexity of a distributed algorithm on a given instance is defined as the average, taken over every node of the instance, of the number of rounds before that node output. We compare the node-averaged time-complexity with the classical one in the standard LOCAL model for distributed network computing. We show that there can be an exponential gap between the node-averaged time-complexity and the classical time-complexity, as witnessed by, e.g., leader election. Our first main result is a positive one, stating that, in fact, the two time-complexities behave the same for a large class of problems on very sparse graphs. In particular, we show that, for LCL problems on cycles, the node-averaged time complexity is of the same order of magnitude as the slowest node time-complexity. In addition, in the LOCAL model, the time-complexity is computed as a worst case over all possible identity assignments to the nodes of the network. In this paper, we also investigate the ID-averaged time-complexity, when the number of rounds is averaged over all possible identity assignments. Our second main result is that the ID-averaged time-complexity is essentially the same as the expected time-complexity of randomized algorithms (where the expectation is taken over all possible random bits used by the nodes, and the number of rounds is measured for the worst-case identity assignment). Finally, we study the node-averaged ID-averaged time-complexity.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

Automatically estimating the complexity of texts for readers has a variety of applications, such as recommending texts with an appropriate complexity level to language learners or supporting the evaluation of text simplification approaches. In this paper, we present our submission to the Text Complexity DE Challenge 2022, a regression task where the goal is to predict the complexity of a German sentence for German learners at level B. Our approach relies on more than 220,000 pseudo-labels created from the German Wikipedia and other corpora to train Transformer-based models, and refrains from any feature engineering or any additional, labeled data. We find that the pseudo-label-based approach gives impressive results yet requires little to no adjustment to the specific task and therefore could be easily adapted to other domains and tasks.

When agents are acting together, they may need a simple mechanism to decide on joint actions. One possibility is to have the agents express their preferences in the form of a ballot and use a voting rule to decide the winning action(s). Unfortunately, agents may try to manipulate such an election by misreporting their preferences. Fortunately, it has been shown that it is NP-hard to compute how to manipulate a number of different voting rules. However, NP-hardness only bounds the worst-case complexity. Recent theoretical results suggest that manipulation may often be easy in practice. To address this issue, I suggest studying empirically if computational complexity is in practice a barrier to manipulation. The basic tool used in my investigations is the identification of computational "phase transitions". Such an approach has been fruitful in identifying hard instances of propositional satisfiability and other NP-hard problems. I show that phase transition behaviour gives insight into the hardness of manipulating voting rules, increasing concern that computational complexity is indeed any sort of barrier. Finally, I look at the problem of computing manipulation of other, related problems like stable marriage and tournament problems.

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure -- length complexity -- which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of language models can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

We consider concept generalization at a large scale in the diverse and natural visual spectrum. Established computational modes (i.e., rule-based or similarity-based) are primarily studied isolated and focus on confined and abstract problem spaces. In this work, we study these two modes when the problem space scales up, and the complexity of concepts becomes diverse. Specifically, at the representational level, we seek to answer how the complexity varies when a visual concept is mapped to the representation space. Prior psychology literature has shown that two types of complexities (i.e., subjective complexity and visual complexity) (Griffiths and Tenenbaum, 2003) build an inverted-U relation (Donderi, 2006; Sun and Firestone, 2021). Leveraging Representativeness of Attribute (RoA), we computationally confirm the following observation: Models use attributes with high RoA to describe visual concepts, and the description length falls in an inverted-U relation with the increment in visual complexity. At the computational level, we aim to answer how the complexity of representation affects the shift between the rule- and similarity-based generalization. We hypothesize that category-conditioned visual modeling estimates the co-occurrence frequency between visual and categorical attributes, thus potentially serving as the prior for the natural visual world. Experimental results show that representations with relatively high subjective complexity outperform those with relatively low subjective complexity in the rule-based generalization, while the trend is the opposite in the similarity-based generalization.

What are the root causes of hallucinations in large language models (LLMs)? We use Communication Complexity to prove that the Transformer layer is incapable of composing functions (e.g., identify a grandparent of a person in a genealogy) if the domains of the functions are large enough; we show through examples that this inability is already empirically present when the domains are quite small. We also point out that several mathematical tasks that are at the core of the so-called compositional tasks thought to be hard for LLMs are unlikely to be solvable by Transformers, for large enough instances and assuming that certain well accepted conjectures in the field of Computational Complexity are true.

The interest in linear complexity models for large language models is on the rise, although their scaling capacity remains uncertain. In this study, we present the scaling laws for linear complexity language models to establish a foundation for their scalability. Specifically, we examine the scaling behaviors of three efficient linear architectures. These include TNL, a linear attention model with data-independent decay; HGRN2, a linear RNN with data-dependent decay; and cosFormer2, a linear attention model without decay. We also include LLaMA as a baseline architecture for softmax attention for comparison. These models were trained with six variants, ranging from 70M to 7B parameters on a 300B-token corpus, and evaluated with a total of 1,376 intermediate checkpoints on various downstream tasks. These tasks include validation loss, commonsense reasoning, and information retrieval and generation. The study reveals that existing linear complexity language models exhibit similar scaling capabilities as conventional transformer-based models while also demonstrating superior linguistic proficiency and knowledge retention.

This paper describes the performance of the team cs60075_team2 at SemEval 2021 Task 1 - Lexical Complexity Prediction. The main contribution of this paper is to fine-tune transformer-based language models pre-trained on several text corpora, some being general (E.g., Wikipedia, BooksCorpus), some being the corpora from which the CompLex Dataset was extracted, and others being from other specific domains such as Finance, Law, etc. We perform ablation studies on selecting the transformer models and how their individual complexity scores are aggregated to get the resulting complexity scores. Our method achieves a best Pearson Correlation of 0.784 in sub-task 1 (single word) and 0.836 in sub-task 2 (multiple word expressions).

Attention layers, as commonly used in transformers, form the backbone of modern deep learning, yet there is no mathematical description of their benefits and deficiencies as compared with other architectures. In this work we establish both positive and negative results on the representation power of attention layers, with a focus on intrinsic complexity parameters such as width, depth, and embedding dimension. On the positive side, we present a sparse averaging task, where recurrent networks and feedforward networks all have complexity scaling polynomially in the input size, whereas transformers scale merely logarithmically in the input size; furthermore, we use the same construction to show the necessity and role of a large embedding dimension in a transformer. On the negative side, we present a triple detection task, where attention layers in turn have complexity scaling linearly in the input size; as this scenario seems rare in practice, we also present natural variants that can be efficiently solved by attention layers. The proof techniques emphasize the value of communication complexity in the analysis of transformers and related models, and the role of sparse averaging as a prototypical attention task, which even finds use in the analysis of triple detection.

Large language models (LLMs) have shown promising results in a wide array of generative NLP tasks, such as summarization and machine translation. In the context of narrative generation, however, existing models still do not capture factors that contribute to producing consistent text. For instance, it is logical that a piece of text or a story should be uniformly readable throughout and that this form of complexity should be controllable. As such, if the complexity of an input text prompt is rated first-grade reading level in the Flesch Reading Ease test, then the generated text continuing the plot should also be within this range of complexity. With this in mind, we introduce Uniform Complexity for Text Generation (UCTG), a new benchmark test which raises the challenge of making generative models observe uniform linguistic properties with respect to prompts. We experiment with over 150+ linguistically and cognitively motivated features for evaluating text complexity in humans and generative models. From our results, we find that models such as GPT-2 struggle to preserve the complexity of input prompts used in its generations, even if finetuned with professionally written texts.

This paper presents TextComplexityDE, a dataset consisting of 1000 sentences in German language taken from 23 Wikipedia articles in 3 different article-genres to be used for developing text-complexity predictor models and automatic text simplification in German language. The dataset includes subjective assessment of different text-complexity aspects provided by German learners in level A and B. In addition, it contains manual simplification of 250 of those sentences provided by native speakers and subjective assessment of the simplified sentences by participants from the target group. The subjective ratings were collected using both laboratory studies and crowdsourcing approach.

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100\% accuracy with only a few calls to the LLM. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.

Self-attention is at the heart of the popular Transformer architecture, yet suffers from quadratic time and memory complexity. The breakthrough FlashAttention algorithm revealed I/O complexity as the true bottleneck in scaling Transformers. Given two levels of memory hierarchy, a fast cache (e.g. GPU on-chip SRAM) and a slow memory (e.g. GPU high-bandwidth memory), the I/O complexity measures the number of accesses to memory. FlashAttention computes attention using N^2d^2{M} I/O operations where N is the dimension of the attention matrix, d the head-dimension and M the cache size. However, is this I/O complexity optimal? The known lower bound only rules out an I/O complexity of o(Nd) when M=Theta(Nd), since the output that needs to be written to slow memory is Omega(Nd). This leads to the main question of our work: Is FlashAttention I/O optimal for all values of M? We resolve the above question in its full generality by showing an I/O complexity lower bound that matches the upper bound provided by FlashAttention for any values of M geq d^2 within any constant factors. Further, we give a better algorithm with lower I/O complexity for M < d^2, and show that it is optimal as well. Moreover, our lower bounds do not rely on using combinatorial matrix multiplication for computing the attention matrix. We show even if one uses fast matrix multiplication, the above I/O complexity bounds cannot be improved. We do so by introducing a new communication complexity protocol for matrix compression, and connecting communication complexity to I/O complexity. To the best of our knowledge, this is the first work to establish a connection between communication complexity and I/O complexity, and we believe this connection could be of independent interest and will find many more applications in proving I/O complexity lower bounds in the future.

In the realm of embodied artificial intelligence, the reasoning capabilities of Large Language Models (LLMs) play a pivotal role. Although there are effective methods like program-of-thought prompting for LLMs which uses programming language to tackle complex reasoning tasks, the specific impact of code data on the improvement of reasoning capabilities remains under-explored. To address this gap, we propose complexity-impacted reasoning score (CIRS), which combines structural and logical attributes, to measure the correlation between code and reasoning abilities. Specifically, we use the abstract syntax tree to encode the structural information and calculate logical complexity by considering the difficulty and the cyclomatic complexity. Through an empirical analysis, we find not all code data of complexity can be learned or understood by LLMs. Optimal level of complexity is critical to the improvement of reasoning abilities by program-aided prompting. Then we design an auto-synthesizing and stratifying algorithm, and apply it to instruction generation for mathematical reasoning and code data filtering for code generation tasks. Extensive results demonstrates the effectiveness of our proposed approach. Code will be integrated into the EasyInstruct framework at https://github.com/zjunlp/EasyInstruct.

While machine learning has advanced through massive parallelization, we identify a critical blind spot: some problems are fundamentally sequential. These "inherently serial" problems-from mathematical reasoning to physical simulations to sequential decision-making-require dependent computational steps that cannot be parallelized. Drawing from complexity theory, we formalize this distinction and demonstrate that current parallel-centric architectures face fundamental limitations on such tasks. We argue that recognizing the serial nature of computation holds profound implications on machine learning, model design, hardware development. As AI tackles increasingly complex reasoning, deliberately scaling serial computation-not just parallel computation-is essential for continued progress.

Recent generations of language models have introduced Large Reasoning Models (LRMs) that generate detailed thinking processes before providing answers. While these models demonstrate improved performance on reasoning benchmarks, their fundamental capabilities, scaling properties, and limitations remain insufficiently understood. Current evaluations primarily focus on established math and coding benchmarks, emphasizing final answer accuracy. However, this evaluation paradigm often suffers from contamination and does not provide insights into the reasoning traces. In this work, we systematically investigate these gaps with the help of controllable puzzle environments that allow precise manipulation of complexity while maintaining consistent logical structures. This setup enables the analysis of not only final answers but also the internal reasoning traces, offering insights into how LRMs think. Through extensive experiments, we show that LRMs face a complete accuracy collapse beyond certain complexities. Moreover, they exhibit a counterintuitive scaling limit: their reasoning effort increases with problem complexity up to a point, then declines despite having remaining token budget. By comparing LRMs with their standard LLM counterparts under same inference compute, we identify three performance regimes: (1) low-complexity tasks where standard models outperform LRMs, (2) medium-complexity tasks where LRMs demonstrates advantage, and (3) high-complexity tasks where both models face complete collapse. We found that LRMs have limitations in exact computation: they fail to use explicit algorithms and reason inconsistently across scales. We also investigate the reasoning traces in more depth, studying the patterns of explored solutions and analyzing the models' computational behavior, shedding light on their strengths, limitations, and raising questions about their reasoning capabilities.

Code based Language Models (LMs) have shown very promising results in the field of software engineering with applications such as code refinement, code completion and generation. However, the task of time and space complexity classification from code has not been extensively explored due to a lack of datasets, with prior endeavors being limited to Java. In this project, we aim to address these gaps by creating a labelled dataset of code snippets spanning multiple languages (Python and C++ datasets currently, with C, C#, and JavaScript datasets being released shortly). We find that existing time complexity calculation libraries and tools only apply to a limited number of use-cases. The lack of a well-defined rule based system motivates the application of several recently proposed code-based LMs. We demonstrate the effectiveness of dead code elimination and increasing the maximum sequence length of LMs. In addition to time complexity, we propose to use LMs to find space complexities from code, and to the best of our knowledge, this is the first attempt to do so. Furthermore, we introduce a novel code comprehension task, called cross-language transfer, where we fine-tune the LM on one language and run inference on another. Finally, we visualize the activation of the attention fed classification head of our LMs using Non-negative Matrix Factorization (NMF) to interpret our results.

We study the task of prompting large-scale language models to perform multi-step reasoning. Existing work shows that when prompted with a chain of thoughts (CoT), sequences of short sentences describing intermediate reasoning steps towards a final answer, large language models can generate new reasoning chains and predict answers for new inputs. A central question is which reasoning examples make the most effective prompts. In this work, we propose complexity-based prompting, a simple and effective example selection scheme for multi-step reasoning. We show that prompts with higher reasoning complexity, i.e., chains with more reasoning steps, achieve substantially better performance on multi-step reasoning tasks over strong baselines. We further extend our complexity-based criteria from prompting (selecting inputs) to decoding (selecting outputs), where we sample multiple reasoning chains from the model, then choose the majority of generated answers from complex reasoning chains (over simple chains). When used to prompt GPT-3 and Codex, our approach substantially improves multi-step reasoning accuracy and achieves new state-of-the-art (SOTA) performance on three math benchmarks (GSM8K, MultiArith, and MathQA) and two BigBenchHard tasks (Date Understanding and Penguins), with an average +5.3 and up to +18 accuracy improvements. Compared with existing example selection schemes like manual tuning or retrieval-based selection, selection based on reasoning complexity is intuitive, easy to implement, and annotation-efficient. Further results demonstrate the robustness of performance gains from complex prompts under format perturbation and distribution shift.

We introduce a high-quality dataset that contains 3,397 samples comprising (i) multiple choice questions, (ii) answers (including distractors), and (iii) their source documents, from the educational domain. Each question is phrased in two forms, normal and close. Correct answers are linked to source documents with sentence-level annotations. Thus, our versatile dataset can be used for both question and distractor generation, as well as to explore new challenges such as question format conversion. Furthermore, 903 questions are accompanied by their cognitive complexity level as per Bloom's taxonomy. All questions have been generated by educational experts rather than crowd workers to ensure they are maintaining educational and learning standards. Our analysis and experiments suggest distinguishable differences between our dataset and commonly used ones for question generation for educational purposes. We believe this new dataset can serve as a valuable resource for research and evaluation in the educational domain. The dataset and baselines will be released to support further research in question generation.

Theory of Mind (ToM) can be used to assess the capabilities of Large Language Models (LLMs) in complex scenarios where social reasoning is required. While the research community has proposed many ToM benchmarks, their hardness varies greatly, and their complexity is not well defined. This work proposes a framework inspired by cognitive load theory to measure the complexity of ToM tasks. We quantify a problem's complexity as the number of states necessary to solve it correctly. Our complexity measure also accounts for spurious states of a ToM problem designed to make it apparently harder. We use our method to assess the complexity of five widely adopted ToM benchmarks. On top of this framework, we design a prompting technique that augments the information available to a model with a description of how the environment changes with the agents' interactions. We name this technique Discrete World Models (DWM) and show how it elicits superior performance on ToM tasks.

While large language models (LLMs) have shown exceptional capabilities in understanding complex queries and performing sophisticated tasks, their generalization abilities are often deeply entangled with memorization, necessitating more precise evaluation. To address this challenge, we introduce Scylla, a dynamic evaluation framework that quantitatively measures the generalization abilities of LLMs. Scylla disentangles generalization from memorization via assessing model performance on both in-distribution (ID) and out-of-distribution (OOD) data through 20 tasks across 5 levels of complexity. Through extensive experiments, we uncover a non-monotonic relationship between task complexity and the performance gap between ID and OOD data, which we term the generalization valley. Specifically, this phenomenon reveals a critical threshold - referred to as critical complexity - where reliance on non-generalizable behavior peaks, indicating the upper bound of LLMs' generalization capabilities. As model size increases, the critical complexity shifts toward higher levels of task complexity, suggesting that larger models can handle more complex reasoning tasks before over-relying on memorization. Leveraging Scylla and the concept of critical complexity, we benchmark 28LLMs including both open-sourced models such as LLaMA and Qwen families, and close-sourced models like Claude and GPT, providing a more robust evaluation and establishing a clearer understanding of LLMs' generalization capabilities.

Recent progress has pushed AI frontiers from pattern recognition tasks toward problems that require step by step, System2 style reasoning, especially with large language models. Yet, unlike learning, where generalization and out of distribution (OoD) evaluation concepts are well formalized, there is no clear, consistent definition or metric for reasoning ability. We propose Complexity Out of Distribution (Complexity OoD) generalization as a framework and problem setting to define and measure reasoning. A model exhibits Complexity OoD generalization when it maintains performance on test instances whose minimal required solution complexity, either representational (richer solution structure) or computational (more reasoning steps/program length), exceeds that of all training examples. We formalize complexity via solution description Kolmogorov complexity and operational proxies (e.g., object/relation counts; reasoning step counts), clarifying how Complexity OoD differs from length and compositional OoD. This lens unifies learning and reasoning: many cases solvable with System1 like processing at low complexity become System2 like under complexity pressure, while System2 can be viewed as generalization over solution structures. We translate this perspective into practice with recommendations for operationalizing Complexity OoD across the stack: incorporating complexity into benchmark and evaluation metric design, rethinking supervision to target solution traces, seeking and designing inductive biases for Complexity OoD generalization, addressing learning to reason spillovers such as spurious shortcuts, semantic robustness, catastrophic forgetting, and step wise calibration. Because Complexity OoD cannot be solved by scaling data alone, progress toward robust reasoning will require architectures and training regimes that explicitly model and allocate computation with respect to complexity.

A simple communication complexity argument proves that no one-layer transformer can solve the induction heads task unless its size is exponentially larger than the size sufficient for a two-layer transformer.

Assessing the complexity of functions computed by a neural network helps us understand how the network will learn and generalize. One natural measure of complexity is how the network distorts length - if the network takes a unit-length curve as input, what is the length of the resulting curve of outputs? It has been widely believed that this length grows exponentially in network depth. We prove that in fact this is not the case: the expected length distortion does not grow with depth, and indeed shrinks slightly, for ReLU networks with standard random initialization. We also generalize this result by proving upper bounds both for higher moments of the length distortion and for the distortion of higher-dimensional volumes. These theoretical results are corroborated by our experiments.

Human intelligence emerged through the process of natural selection and evolution on Earth. We investigate what it would take to re-create this process in silico. While past work has often focused on low-level processes (such as simulating physics or chemistry), we instead take a more targeted approach, aiming to evolve agents that can accumulate open-ended culture and technologies across generations. Towards this, we present JaxLife: an artificial life simulator in which embodied agents, parameterized by deep neural networks, must learn to survive in an expressive world containing programmable systems. First, we describe the environment and show that it can facilitate meaningful Turing-complete computation. We then analyze the evolved emergent agents' behavior, such as rudimentary communication protocols, agriculture, and tool use. Finally, we investigate how complexity scales with the amount of compute used. We believe JaxLife takes a step towards studying evolved behavior in more open-ended simulations. Our code is available at https://github.com/luchris429/JaxLife

We introduce BigO(Bench), a novel coding benchmark designed to evaluate the capabilities of generative language models in understanding and generating code with specified time and space complexities. This benchmark addresses the gap in current evaluations that often overlook the ability of models to comprehend and produce code constrained by computational complexity. BigO(Bench) includes tooling to infer the algorithmic complexity of any Python function from profiling measurements, including human- or LLM-generated solutions. BigO(Bench) also includes of set of 3,105 coding problems and 1,190,250 solutions from Code Contests annotated with inferred (synthetic) time and space complexity labels from the complexity framework, as well as corresponding runtime and memory footprint values for a large set of input sizes. We present results from evaluating multiple state-of-the-art language models on this benchmark, highlighting their strengths and weaknesses in handling complexity requirements. In particular, token-space reasoning models are unrivaled in code generation but not in complexity understanding, hinting that they may not generalize well to tasks for which no reward was given at training time.

Building upon our previous investigations of O1 replication (Part 1: Journey Learning [Qin et al., 2024] and Part 2: Distillation [Huang et al., 2024]), this work explores the potential of inference-time scaling in large language models (LLMs) for medical reasoning tasks, ranging from diagnostic decision-making to treatment planning. Through extensive experiments on medical benchmarks of varying complexity (MedQA, Medbullets, and JAMA Clinical Challenges), our investigation reveals several key insights: (1) Increasing inference time does lead to improved performance. With a modest training set of 500 samples, our model yields substantial performance improvements of 6%-11%. (2) Task complexity directly correlates with the required length of reasoning chains, confirming the necessity of extended thought processes for challenging problems. (3) The differential diagnoses generated by our model adhere to the principles of the hypothetico-deductive method, producing a list of potential conditions that may explain a patient's symptoms and systematically narrowing these possibilities by evaluating the evidence. These findings demonstrate the promising synergy between inference-time scaling and journey learning in advancing LLMs' real-world clinical reasoning capabilities.

We study the representation complexity of model-based and model-free reinforcement learning (RL) in the context of circuit complexity. We prove theoretically that there exists a broad class of MDPs such that their underlying transition and reward functions can be represented by constant depth circuits with polynomial size, while the optimal Q-function suffers an exponential circuit complexity in constant-depth circuits. By drawing attention to the approximation errors and building connections to complexity theory, our theory provides unique insights into why model-based algorithms usually enjoy better sample complexity than model-free algorithms from a novel representation complexity perspective: in some cases, the ground-truth rule (model) of the environment is simple to represent, while other quantities, such as Q-function, appear complex. We empirically corroborate our theory by comparing the approximation error of the transition kernel, reward function, and optimal Q-function in various Mujoco environments, which demonstrates that the approximation errors of the transition kernel and reward function are consistently lower than those of the optimal Q-function. To the best of our knowledge, this work is the first to study the circuit complexity of RL, which also provides a rigorous framework for future research.

Large language models (LLMs) have shown significant progress in reasoning tasks. However, recent studies show that transformers and LLMs fail catastrophically once reasoning problems exceed modest complexity. We revisit these findings through the lens of large reasoning models (LRMs) -- LLMs fine-tuned with incentives for step-by-step argumentation and self-verification. LRM performance on graph and reasoning benchmarks such as NLGraph seem extraordinary, with some even claiming they are capable of generalized reasoning and innovation in reasoning-intensive fields such as mathematics, physics, medicine, and law. However, by more carefully scaling the complexity of reasoning problems, we show existing benchmarks actually have limited complexity. We develop a new dataset, the Deep Reasoning Dataset (DeepRD), along with a generative process for producing unlimited examples of scalable complexity. We use this dataset to evaluate model performance on graph connectivity and natural language proof planning. We find that the performance of LRMs drop abruptly at sufficient complexity and do not generalize. We also relate our LRM results to the distributions of the complexities of large, real-world knowledge graphs, interaction graphs, and proof datasets. We find the majority of real-world examples fall inside the LRMs' success regime, yet the long tails expose substantial failure potential. Our analysis highlights the near-term utility of LRMs while underscoring the need for new methods that generalize beyond the complexity of examples in the training distribution.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Large Language Models (LLMs) based on the pre-trained fine-tuning paradigm have become pivotal in solving natural language processing tasks, consistently achieving state-of-the-art performance. Nevertheless, the theoretical understanding of how model complexity influences fine-tuning performance remains challenging and has not been well explored yet. In this paper, we focus on autoregressive LLMs and propose to employ Hidden Markov Models (HMMs) to model them. Based on the HMM modeling, we investigate the relationship between model complexity and the generalization capability in downstream tasks. Specifically, we consider a popular tuning paradigm for downstream tasks, head tuning, where all pre-trained parameters are frozen and only individual heads are trained atop pre-trained LLMs. Our theoretical analysis reveals that the risk initially increases and then decreases with rising model complexity, showcasing a "double descent" phenomenon. In this case, the initial "descent" is degenerate, signifying that the "sweet spot" where bias and variance are balanced occurs when the model size is zero. Obtaining the presented in this study conclusion confronts several challenges, primarily revolving around effectively modeling autoregressive LLMs and downstream tasks, as well as conducting a comprehensive risk analysis for multivariate regression. Our research is substantiated by experiments conducted on data generated from HMMs, which provided empirical support and alignment with our theoretical insights.

Recurrent large language models that compete with Transformers in language modeling perplexity are emerging at a rapid rate (e.g., Mamba, RWKV). Excitingly, these architectures use a constant amount of memory during inference. However, due to the limited memory, recurrent LMs cannot recall and use all the information in long contexts leading to brittle in-context learning (ICL) quality. A key challenge for efficient LMs is selecting what information to store versus discard. In this work, we observe the order in which information is shown to the LM impacts the selection difficulty. To formalize this, we show that the hardness of information recall reduces to the hardness of a problem called set disjointness (SD), a quintessential problem in communication complexity that requires a streaming algorithm (e.g., recurrent model) to decide whether inputted sets are disjoint. We empirically and theoretically show that the recurrent memory required to solve SD changes with set order, i.e., whether the smaller set appears first in-context. Our analysis suggests, to mitigate the reliance on data order, we can put information in the right order in-context or process prompts non-causally. Towards that end, we propose: (1) JRT-Prompt, where context gets repeated multiple times in the prompt, effectively showing the model all data orders. This gives 11.0 pm 1.3 points of improvement, averaged across 16 recurrent LMs and the 6 ICL tasks, with 11.9times higher throughput than FlashAttention-2 for generation prefill (length 32k, batch size 16, NVidia H100). We then propose (2) JRT-RNN, which uses non-causal prefix-linear-attention to process prompts and provides 99% of Transformer quality at 360M params., 30B tokens and 96% at 1.3B params., 50B tokens on average across the tasks, with 19.2times higher throughput for prefill than FA2.

In this paper, we investigate a problem of actively learning threshold in latent space, where the unknown reward g(gamma, v) depends on the proposed threshold gamma and latent value v and it can be only achieved if the threshold is lower than or equal to the unknown latent value. This problem has broad applications in practical scenarios, e.g., reserve price optimization in online auctions, online task assignments in crowdsourcing, setting recruiting bars in hiring, etc. We first characterize the query complexity of learning a threshold with the expected reward at most epsilon smaller than the optimum and prove that the number of queries needed can be infinitely large even when g(gamma, v) is monotone with respect to both gamma and v. On the positive side, we provide a tight query complexity Theta(1/epsilon^3) when g is monotone and the CDF of value distribution is Lipschitz. Moreover, we show a tight Theta(1/epsilon^3) query complexity can be achieved as long as g satisfies one-sided Lipschitzness, which provides a complete characterization for this problem. Finally, we extend this model to an online learning setting and demonstrate a tight Theta(T^{2/3}) regret bound using continuous-arm bandit techniques and the aforementioned query complexity results.

Neural image compression methods have seen increasingly strong performance in recent years. However, they suffer orders of magnitude higher computational complexity compared to traditional codecs, which stands in the way of real-world deployment. This paper takes a step forward in closing this gap in decoding complexity by adopting shallow or even linear decoding transforms. To compensate for the resulting drop in compression performance, we exploit the often asymmetrical computation budget between encoding and decoding, by adopting more powerful encoder networks and iterative encoding. We theoretically formalize the intuition behind, and our experimental results establish a new frontier in the trade-off between rate-distortion and decoding complexity for neural image compression. Specifically, we achieve rate-distortion performance competitive with the established mean-scale hyperprior architecture of Minnen et al. (2018), while reducing the overall decoding complexity by 80 %, or over 90 % for the synthesis transform alone. Our code can be found at https://github.com/mandt-lab/shallow-ntc.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower communication complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

One might think that, once we know something is computable, how efficiently it can be computed is a practical question with little further philosophical importance. In this essay, I offer a detailed case that one would be wrong. In particular, I argue that computational complexity theory -- the field that studies the resources (such as time, space, and randomness) needed to solve computational problems -- leads to new perspectives on the nature of mathematical knowledge, the strong AI debate, computationalism, the problem of logical omniscience, Hume's problem of induction, Goodman's grue riddle, the foundations of quantum mechanics, economic rationality, closed timelike curves, and several other topics of philosophical interest. I end by discussing aspects of complexity theory itself that could benefit from philosophical analysis.

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

The measure of a machine learning algorithm is the difficulty of the tasks it can perform, and sufficiently difficult tasks are critical drivers of strong machine learning models. However, quantifying the generalization difficulty of machine learning benchmarks has remained challenging. We propose what is to our knowledge the first model-agnostic measure of the inherent generalization difficulty of tasks. Our inductive bias complexity measure quantifies the total information required to generalize well on a task minus the information provided by the data. It does so by measuring the fractional volume occupied by hypotheses that generalize on a task given that they fit the training data. It scales exponentially with the intrinsic dimensionality of the space over which the model must generalize but only polynomially in resolution per dimension, showing that tasks which require generalizing over many dimensions are drastically more difficult than tasks involving more detail in fewer dimensions. Our measure can be applied to compute and compare supervised learning, reinforcement learning and meta-learning generalization difficulties against each other. We show that applied empirically, it formally quantifies intuitively expected trends, e.g. that in terms of required inductive bias, MNIST < CIFAR10 < Imagenet and fully observable Markov decision processes (MDPs) < partially observable MDPs. Further, we show that classification of complex images < few-shot meta-learning with simple images. Our measure provides a quantitative metric to guide the construction of more complex tasks requiring greater inductive bias, and thereby encourages the development of more sophisticated architectures and learning algorithms with more powerful generalization capabilities.

In the classical transformer attention scheme, we are given three n times d size matrices Q, K, V (the query, key, and value tokens), and the goal is to compute a new n times d size matrix D^{-1} exp(QK^top) V where D = diag( exp(QK^top) {bf 1}_n ). In this work, we study a generalization of attention which captures triple-wise correlations. This generalization is able to solve problems about detecting triple-wise connections that were shown to be impossible for transformers. The potential downside of this generalization is that it appears as though computations are even more difficult, since the straightforward algorithm requires cubic time in n. However, we show that in the bounded-entry setting (which arises in practice, and which is well-studied in both theory and practice), there is actually a near-linear time algorithm. More precisely, we show that bounded entries are both necessary and sufficient for quickly performing generalized computations: bullet On the positive side, if all entries of the input matrices are bounded above by o(sqrt[3]{log n}) then we show how to approximate the ``tensor-type'' attention matrix in n^{1+o(1)} time. bullet On the negative side, we show that if the entries of the input matrices may be as large as Omega(sqrt[3]{log n}), then there is no algorithm that runs faster than n^{3-o(1)} (assuming the Strong Exponential Time Hypothesis from fine-grained complexity theory). We also show that our construction, algorithms, and lower bounds naturally generalize to higher-order tensors and correlations. Interestingly, the higher the order of the tensors, the lower the bound on the entries needs to be for an efficient algorithm. Our results thus yield a natural tradeoff between the boundedness of the entries, and order of the tensor one may use for more expressive, efficient attention computation.

Large language models (LLMs) are powerful tools capable of handling diverse tasks. Comparing and selecting appropriate LLMs for specific tasks requires systematic evaluation methods, as models exhibit varying capabilities across different domains. However, finding suitable benchmarks is difficult given the many available options. This complexity not only increases the risk of benchmark misuse and misinterpretation but also demands substantial effort from LLM users, seeking the most suitable benchmarks for their specific needs. To address these issues, we introduce BenchmarkCards, an intuitive and validated documentation framework that standardizes critical benchmark attributes such as objectives, methodologies, data sources, and limitations. Through user studies involving benchmark creators and users, we show that BenchmarkCards can simplify benchmark selection and enhance transparency, facilitating informed decision-making in evaluating LLMs. Data & Code: https://github.com/SokolAnn/BenchmarkCards

The increasing complexity of Artificial Intelligence models poses challenges to interpretability, particularly in the healthcare sector. This study investigates the impact of deep learning model complexity and Explainable AI (XAI) efficacy, utilizing four ResNet architectures (ResNet-18, 34, 50, 101). Through methodical experimentation on 4,369 lung X-ray images of COVID-19-infected and healthy patients, the research evaluates models' classification performance and the relevance of corresponding XAI explanations with respect to the ground-truth disease masks. Results indicate that the increase in model complexity is associated with a decrease in classification accuracy and AUC-ROC scores (ResNet-18: 98.4%, 0.997; ResNet-101: 95.9%, 0.988). Notably, in eleven out of twelve statistical tests performed, no statistically significant differences occurred between XAI quantitative metrics - Relevance Rank Accuracy and the proposed Positive Attribution Ratio - across trained models. These results suggest that increased model complexity does not consistently lead to higher performance or relevance of explanations for models' decision-making processes.

Computational complexity has often been ignored in philosophy of mind, in philosophical artificial intelligence studies. The purpose of this paper is threefold. First and foremost, to show the importance of complexity rather than computability in philosophical and AI problems. Second, to rephrase the notion of computability in terms of solvability, i.e. treating computability as non-sufficient for establishing intelligence. The Church-Turing thesis is therefore revisited and rephrased in order to capture the ontological background of spatial and temporal complexity. Third, to emphasize ontological differences between different time complexities, which seem to provide a solid base towards better understanding of artificial intelligence in general.

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any N points that satisfy a mild separability assumption using Oleft(Nright) parameters. Known VC-dimension upper bounds imply that memorizing N samples requires Omega(N) parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by 1 leq L leq N, for memorizing N samples using O(N/L) parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.

Energy consumption in solving computational problems has been gaining growing attention as a part of the performance measures of computers. Quantum computation is known to offer advantages over classical computation in terms of various computational resources; however, its advantage in energy consumption has been challenging to analyze due to the lack of a theoretical foundation to relate the physical notion of energy and the computer-scientific notion of complexity for quantum computation with finite computational resources. To bridge this gap, we introduce a general framework for studying the energy consumption of quantum and classical computation based on a computational model that has been conventionally used for studying query complexity in computational complexity theory. With this framework, we derive an upper bound for the achievable energy consumption of quantum computation. We also develop techniques for proving a nonzero lower bound of energy consumption of classical computation based on the energy-conservation law and Landauer's principle. With these general bounds, we rigorously prove that quantum computation achieves an exponential energy-consumption advantage over classical computation for solving a specific computational problem, Simon's problem. Furthermore, we clarify how to demonstrate this energy-consumption advantage of quantum computation in an experimental setting. These results provide a fundamental framework and techniques to explore the physical meaning of quantum advantage in the query-complexity setting based on energy consumption, opening an alternative way to study the advantages of quantum computation.

Since the breakthrough performance of AlexNet in 2012, convolutional neural networks (convnets) have grown into extremely powerful vision models. Deep learning researchers have used convnets to perform vision tasks with accuracy that was unachievable a decade ago. Confronted with the immense computation that convnets use, deep learning researchers also became interested in efficiency. However, the engineers who deployed efficient convnets soon realized that they were slower than the previous generation, despite using fewer operations. Many reverted to older models that ran faster. Hence researchers switched the objective of their search from arithmetic complexity to latency and produced a new wave of models that performed better. Paradoxically, these models also used more operations. Skepticism grew among researchers and engineers alike about the relevance of arithmetic complexity. Contrary to the prevailing view that latency and arithmetic complexity are irreconcilable, a simple formula relates both through computational efficiency. This insight enabled us to co-optimize the separate factors that determine latency. We observed that the degenerate conv2d layers that produce the best accuracy--complexity trade-off also use significant memory resources and have low computational efficiency. We devised block fusion algorithms to implement all the layers of a residual block in a single kernel, thereby creating temporal locality, avoiding communication, and reducing workspace size. Our ConvFirst model with block-fusion kernels has less arithmetic complexity and greater computational efficiency than baseline models and kernels, and ran approximately four times as fast as ConvNeXt. We also created novel tools, including efficiency gap plots and waterline analysis. Our unified approach to convnet efficiency envisions a new era of models and kernels that achieve greater accuracy at lower cost.

We resolve the open question regarding the sample complexity of policy learning for maximizing the long-run average reward associated with a uniformly ergodic Markov decision process (MDP), assuming a generative model. In this context, the existing literature provides a sample complexity upper bound of widetilde O(|S||A|t_{mix}^2 epsilon^{-2}) and a lower bound of Omega(|S||A|t_{mix} epsilon^{-2}). In these expressions, |S| and |A| denote the cardinalities of the state and action spaces respectively, t_{mix} serves as a uniform upper limit for the total variation mixing times, and epsilon signifies the error tolerance. Therefore, a notable gap of t_{mix} still remains to be bridged. Our primary contribution is the development of an estimator for the optimal policy of average reward MDPs with a sample complexity of widetilde O(|S||A|t_{mix}epsilon^{-2}). This marks the first algorithm and analysis to reach the literature's lower bound. Our new algorithm draws inspiration from ideas in Li et al. (2020), Jin and Sidford (2021), and Wang et al. (2023). Additionally, we conduct numerical experiments to validate our theoretical findings.

We present a very simple algorithm for attention that requires O(1) memory with respect to sequence length and an extension to self-attention that requires O(log n) memory. This is in contrast with the frequently stated belief that self-attention requires O(n^2) memory. While the time complexity is still O(n^2), device memory rather than compute capability is often the limiting factor on modern accelerators. Thus, reducing the memory requirements of attention allows processing of longer sequences than might otherwise be feasible. We provide a practical implementation for accelerators that requires O(n) memory, is numerically stable, and is within a few percent of the runtime of the standard implementation of attention. We also demonstrate how to differentiate the function while remaining memory-efficient. For sequence length 16384, the memory overhead of self-attention is reduced by 59X for inference and by 32X for differentiation.

To make AI systems broadly useful for challenging real-world tasks, we need them to learn complex human goals and preferences. One approach to specifying complex goals asks humans to judge during training which agent behaviors are safe and useful, but this approach can fail if the task is too complicated for a human to directly judge. To help address this concern, we propose training agents via self play on a zero sum debate game. Given a question or proposed action, two agents take turns making short statements up to a limit, then a human judges which of the agents gave the most true, useful information. In an analogy to complexity theory, debate with optimal play can answer any question in PSPACE given polynomial time judges (direct judging answers only NP questions). In practice, whether debate works involves empirical questions about humans and the tasks we want AIs to perform, plus theoretical questions about the meaning of AI alignment. We report results on an initial MNIST experiment where agents compete to convince a sparse classifier, boosting the classifier's accuracy from 59.4% to 88.9% given 6 pixels and from 48.2% to 85.2% given 4 pixels. Finally, we discuss theoretical and practical aspects of the debate model, focusing on potential weaknesses as the model scales up, and we propose future human and computer experiments to test these properties.

We study multi-agent reinforcement learning in the setting of episodic Markov decision processes, where multiple agents cooperate via communication through a central server. We propose a provably efficient algorithm based on value iteration that enable asynchronous communication while ensuring the advantage of cooperation with low communication overhead. With linear function approximation, we prove that our algorithm enjoys an mathcal{O}(d^{3/2}H^2K) regret with mathcal{O}(dHM^2) communication complexity, where d is the feature dimension, H is the horizon length, M is the total number of agents, and K is the total number of episodes. We also provide a lower bound showing that a minimal Omega(dM) communication complexity is required to improve the performance through collaboration.

This systematic review explores the application of Large Language Models (LLMs) in Combinatorial Optimization (CO). We report our findings using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We conduct a literature search via Scopus and Google Scholar, examining over 2,000 publications. We assess publications against four inclusion and four exclusion criteria related to their language, research focus, publication year, and type. Eventually, we select 103 studies. We classify these studies into semantic categories and topics to provide a comprehensive overview of the field, including the tasks performed by LLMs, the architectures of LLMs, the existing datasets specifically designed for evaluating LLMs in CO, and the field of application. Finally, we identify future directions for leveraging LLMs in this field.

Transformers have emerged as a powerful tool for a broad range of natural language processing tasks. A key component that drives the impressive performance of Transformers is the self-attention mechanism that encodes the influence or dependence of other tokens on each specific token. While beneficial, the quadratic complexity of self-attention on the input sequence length has limited its application to longer sequences -- a topic being actively studied in the community. To address this limitation, we propose Nystr\"{o}mformer -- a model that exhibits favorable scalability as a function of sequence length. Our idea is based on adapting the Nystr\"{o}m method to approximate standard self-attention with O(n) complexity. The scalability of Nystr\"{o}mformer enables application to longer sequences with thousands of tokens. We perform evaluations on multiple downstream tasks on the GLUE benchmark and IMDB reviews with standard sequence length, and find that our Nystr\"{o}mformer performs comparably, or in a few cases, even slightly better, than standard self-attention. On longer sequence tasks in the Long Range Arena (LRA) benchmark, Nystr\"{o}mformer performs favorably relative to other efficient self-attention methods. Our code is available at https://github.com/mlpen/Nystromformer.

Large Reasoning Models (LRMs) have shown impressive capabilities in complex problem-solving, often benefiting from training on difficult mathematical problems that stimulate intricate reasoning. Recent efforts have explored automated synthesis of mathematical problems by prompting proprietary models or large-scale open-source models from seed data or inherent mathematical concepts. However, scaling up these methods remains challenging due to their high computational/API cost, complexity of prompting, and limited difficulty level of the generated problems. To overcome these limitations, we propose ScaleDiff, a simple yet effective pipeline designed to scale the creation of difficult problems. We efficiently identify difficult problems from existing datasets with only a single forward pass using an adaptive thinking model, which can perceive problem difficulty and automatically switch between "Thinking" and "NoThinking" modes. We then train a specialized difficult problem generator (DiffGen-8B) on this filtered difficult data, which can produce new difficult problems in large scale, eliminating the need for complex, per-instance prompting and its associated high API costs. Fine-tuning Qwen2.5-Math-7B-Instruct on the ScaleDiff-Math dataset yields a substantial performance increase of 11.3% compared to the original dataset and achieves a 65.9% average accuracy on AIME'24, AIME'25, HMMT-Feb'25, BRUMO'25, and MATH500, outperforming recent strong LRMs like OpenThinker3. Notably, this performance is achieved using the cost-efficient Qwen3-8B model as a teacher, demonstrating that our pipeline can effectively transfer advanced reasoning capabilities without relying on larger, more expensive teacher models. Furthermore, we observe a clear scaling phenomenon in model performance on difficult benchmarks as the quantity of difficult problems increases. Code: https://github.com/QizhiPei/ScaleDiff.

While score-based generative models (SGMs) have achieved remarkable success in enormous image generation tasks, their mathematical foundations are still limited. In this paper, we analyze the approximation and generalization of SGMs in learning a family of sub-Gaussian probability distributions. We introduce a notion of complexity for probability distributions in terms of their relative density with respect to the standard Gaussian measure. We prove that if the log-relative density can be locally approximated by a neural network whose parameters can be suitably bounded, then the distribution generated by empirical score matching approximates the target distribution in total variation with a dimension-independent rate. We illustrate our theory through examples, which include certain mixtures of Gaussians. An essential ingredient of our proof is to derive a dimension-free deep neural network approximation rate for the true score function associated with the forward process, which is interesting in its own right.

We study the probabilistic modeling performed by Autoregressive Large Language Models (LLMs) through the angle of time directionality, addressing a question first raised in (Shannon, 1951). For large enough models, we empirically find a time asymmetry in their ability to learn natural language: a difference in the average log-perplexity when trying to predict the next token versus when trying to predict the previous one. This difference is at the same time subtle and very consistent across various modalities (language, model size, training time, ...). Theoretically, this is surprising: from an information-theoretic point of view, there should be no such difference. We provide a theoretical framework to explain how such an asymmetry can appear from sparsity and computational complexity considerations, and outline a number of perspectives opened by our results.

Open-domain complex Question Answering (QA) is a difficult task with challenges in evidence retrieval and reasoning. The complexity of such questions could stem from questions being compositional, hybrid evidence, or ambiguity in questions. While retrieval performance for classical QA tasks is well explored, their capabilities for heterogeneous complex retrieval tasks, especially in an open-domain setting, and the impact on downstream QA performance, are relatively unexplored. To address this, in this work, we propose a benchmark composing diverse complex QA tasks and provide a toolkit to evaluate state-of-the-art pre-trained dense and sparse retrieval models in an open-domain setting. We observe that late interaction models and surprisingly lexical models like BM25 perform well compared to other pre-trained dense retrieval models. In addition, since context-based reasoning is critical for solving complex QA tasks, we also evaluate the reasoning capabilities of LLMs and the impact of retrieval performance on their reasoning capabilities. Through experiments, we observe that much progress is to be made in retrieval for complex QA to improve downstream QA performance. Our software and related data can be accessed at https://github.com/VenkteshV/DEXTER

Instruction tuning has been widely used to unleash the complete potential of large language models. Notably, complex and diverse instructions are of significant importance as they can effectively align models with various downstream tasks. However, current approaches to constructing large-scale instructions predominantly favour powerful models such as GPT-4 or those with over 70 billion parameters, under the empirical presumption that such larger language models (LLMs) inherently possess enhanced capabilities. In this study, we question this prevalent assumption and conduct an in-depth exploration into the potential of smaller language models (SLMs) in the context of instruction evolution. Extensive experiments across three scenarios of instruction evolution reveal that smaller language models (SLMs) can synthesize more effective instructions than LLMs. Further analysis demonstrates that SLMs possess a broader output space during instruction evolution, resulting in more complex and diverse variants. We also observe that the existing metrics fail to focus on the impact of the instructions. Thus, we propose Instruction Complex-Aware IFD (IC-IFD), which introduces instruction complexity in the original IFD score to evaluate the effectiveness of instruction data more accurately. Our source code is available at: https://github.com/HypherX/Evolution-Analysis{https://github.com/HypherX/Evolution-Analysis}

We investigate the rate at which algorithms for pre-training language models have improved since the advent of deep learning. Using a dataset of over 200 language model evaluations on Wikitext and Penn Treebank spanning 2012-2023, we find that the compute required to reach a set performance threshold has halved approximately every 8 months, with a 95% confidence interval of around 5 to 14 months, substantially faster than hardware gains per Moore's Law. We estimate augmented scaling laws, which enable us to quantify algorithmic progress and determine the relative contributions of scaling models versus innovations in training algorithms. Despite the rapid pace of algorithmic progress and the development of new architectures such as the transformer, our analysis reveals that the increase in compute made an even larger contribution to overall performance improvements over this time period. Though limited by noisy benchmark data, our analysis quantifies the rapid progress in language modeling, shedding light on the relative contributions from compute and algorithms.

Large Language Models (LLMs) have achieved remarkable success in code generation, and the race to improve their performance has become a central focus of AI research. Benchmarks and leaderboards are increasingly popular, offering quantitative rankings of LLMs. However, they provide limited insight into the tasks that LLMs consistently fail to solve - information that is crucial for understanding current limitations and guiding the development of more capable models. To address this gap, we examined code generation tasks across four popular benchmarks, identifying those that major LLMs are most likely to fail. To understand the causes of these failures, we investigated whether the static complexity of solution code contributes to them, followed by a systematic inspection of 114 tasks that LLMs consistently struggled with. Our analysis revealed four recurring patterns of weaknesses in LLMs, as well as common complications within benchmark tasks that most often lead to failure.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

We study the fractal structure of language, aiming to provide a precise formalism for quantifying properties that may have been previously suspected but not formally shown. We establish that language is: (1) self-similar, exhibiting complexities at all levels of granularity, with no particular characteristic context length, and (2) long-range dependent (LRD), with a Hurst parameter of approximately H=0.70. Based on these findings, we argue that short-term patterns/dependencies in language, such as in paragraphs, mirror the patterns/dependencies over larger scopes, like entire documents. This may shed some light on how next-token prediction can lead to a comprehension of the structure of text at multiple levels of granularity, from words and clauses to broader contexts and intents. We also demonstrate that fractal parameters improve upon perplexity-based bits-per-byte (BPB) in predicting downstream performance. We hope these findings offer a fresh perspective on language and the mechanisms underlying the success of LLMs.

No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.

Artificial intelligence (AI) systems, and Large Language Models (LLMs) in particular, are increasingly employed for creative tasks like scientific idea generation, constituting a form of generalization from training data unaddressed by existing conceptual frameworks. Despite its similarities to compositional generalization (CG), combinatorial creativity (CC) is an open-ended ability. Instead of evaluating for accuracy or correctness against fixed targets, which would contradict the open-ended nature of CC, we propose a theoretical framework and algorithmic task for evaluating outputs by their degrees of novelty and utility. From here, we make several important empirical contributions: (1) We obtain the first insights into the scaling behavior of creativity for LLMs. (2) We discover that, for fixed compute budgets, there exist optimal model depths and widths for creative ability. (3) We find that the ideation-execution gap, whereby LLMs excel at generating novel scientific ideas but struggle to ensure their practical feasibility, may be explained by a more fundamental novelty-utility tradeoff characteristic of creativity algorithms in general. Importantly, this tradeoff remains persistent even at scale, casting doubt on the long-term creative potential of LLMs in their current form. Together, our conceptual framework and empirical findings provide a foundation for understanding and improving creativity in modern AI models, bridging the gap between human and machine intelligence.

This paper details the work of the University of Groningen for the BabyLM Challenge. We follow the idea that, like babies, language models should be introduced to simpler concepts first and build off of that knowledge to understand more complex concepts. We examine this strategy of simple-then-complex through a variety of lenses, namely context size, vocabulary, and overall linguistic complexity of the data. We find that only one, context size, is truly beneficial to training a language model. However this simple change to context size gives us improvements of 2 points on average on (Super)GLUE tasks, 1 point on MSGS tasks, and 12\% on average on BLiMP tasks. Our context-limited model outperforms the baseline that was trained on 10times the amount of data.

We introduce Complex-Edit, a comprehensive benchmark designed to systematically evaluate instruction-based image editing models across instructions of varying complexity. To develop this benchmark, we harness GPT-4o to automatically collect a diverse set of editing instructions at scale. Our approach follows a well-structured ``Chain-of-Edit'' pipeline: we first generate individual atomic editing tasks independently and then integrate them to form cohesive, complex instructions. Additionally, we introduce a suite of metrics to assess various aspects of editing performance, along with a VLM-based auto-evaluation pipeline that supports large-scale assessments. Our benchmark yields several notable insights: 1) Open-source models significantly underperform relative to proprietary, closed-source models, with the performance gap widening as instruction complexity increases; 2) Increased instructional complexity primarily impairs the models' ability to retain key elements from the input images and to preserve the overall aesthetic quality; 3) Decomposing a complex instruction into a sequence of atomic steps, executed in a step-by-step manner, substantially degrades performance across multiple metrics; 4) A straightforward Best-of-N selection strategy improves results for both direct editing and the step-by-step sequential approach; and 5) We observe a ``curse of synthetic data'': when synthetic data is involved in model training, the edited images from such models tend to appear increasingly synthetic as the complexity of the editing instructions rises -- a phenomenon that intriguingly also manifests in the latest GPT-4o outputs.

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

In this work, we consider the problem of collaborative multi-user reinforcement learning. In this setting there are multiple users with the same state-action space and transition probabilities but with different rewards. Under the assumption that the reward matrix of the N users has a low-rank structure -- a standard and practically successful assumption in the offline collaborative filtering setting -- the question is can we design algorithms with significantly lower sample complexity compared to the ones that learn the MDP individually for each user. Our main contribution is an algorithm which explores rewards collaboratively with N user-specific MDPs and can learn rewards efficiently in two key settings: tabular MDPs and linear MDPs. When N is large and the rank is constant, the sample complexity per MDP depends logarithmically over the size of the state-space, which represents an exponential reduction (in the state-space size) when compared to the standard ``non-collaborative'' algorithms.

Compositionality, the notion that the meaning of an expression is constructed from the meaning of its parts and syntactic rules, permits the infinite productivity of human language. For the first time, artificial language models (LMs) are able to match human performance in a number of compositional generalization tasks. However, much remains to be understood about the representational mechanisms underlying these abilities. We take a high-level geometric approach to this problem by relating the degree of compositionality in a dataset to the intrinsic dimensionality of its representations under an LM, a measure of feature complexity. We find not only that the degree of dataset compositionality is reflected in representations' intrinsic dimensionality, but that the relationship between compositionality and geometric complexity arises due to learned linguistic features over training. Finally, our analyses reveal a striking contrast between linear and nonlinear dimensionality, showing that they respectively encode formal and semantic aspects of linguistic composition.

We address unsupervised discontinuous constituency parsing, where we observe a high variance in the performance of the only previous model. We propose to build an ensemble of different runs of the existing discontinuous parser by averaging the predicted trees, to stabilize and boost performance. To begin with, we provide comprehensive computational complexity analysis (in terms of P and NP-complete) for tree averaging under different setups of binarity and continuity. We then develop an efficient exact algorithm to tackle the task, which runs in a reasonable time for all samples in our experiments. Results on three datasets show our method outperforms all baselines in all metrics; we also provide in-depth analyses of our approach.

An established measure of the expressive power of a given ReLU neural network is the number of linear regions into which it partitions the input space. There exist many different, non-equivalent definitions of what a linear region actually is. We systematically assess which papers use which definitions and discuss how they relate to each other. We then analyze the computational complexity of counting the number of such regions for the various definitions. Generally, this turns out to be an intractable problem. We prove NP- and #P-hardness results already for networks with one hidden layer and strong hardness of approximation results for two or more hidden layers. Finally, on the algorithmic side, we demonstrate that counting linear regions can at least be achieved in polynomial space for some common definitions.

Curriculum learning has shown promise in improving training efficiency and generalization in various machine learning domains, yet its potential in pretraining language models remains underexplored, prompting our work as the first systematic investigation in this area. We experimented with different settings, including vanilla curriculum learning, pacing-based sampling, and interleaved curricula-guided by six difficulty metrics spanning linguistic and information-theoretic perspectives. We train models under these settings and evaluate their performance on eight diverse benchmarks. Our experiments reveal that curriculum learning consistently improves convergence in early and mid-training phases, and can yield lasting gains when used as a warmup strategy with up to 3.5% improvement. Notably, we identify compression ratio, lexical diversity, and readability as effective difficulty signals across settings. Our findings highlight the importance of data ordering in large-scale pretraining and provide actionable insights for scalable, data-efficient model development under realistic training scenarios.

Measuring the full abilities of large language models (LLMs) requires benchmarks representing multiple tasks. We aim to create large, high-quality datasets for comparison of logical reasoning skills across several languages and of suitable difficulty for LLMs of various reasoning ability. We explore multiple ways of increasing difficulty. We generate zebra puzzles in multiple languages, themes, sizes and including 14 different clue types and 8 red herring types (uninformative clues). We find puzzle sizes 2x3 and 4x5 are sufficiently challenging for GPT-4o mini (a non-reasoning model) and o3-mini (a reasoning model), respectively. Including 5 red herrings decreases o3-mini puzzle-level accuracy on 4x5 puzzles by 15pm7 %. Scores of o3-mini on 4x5 puzzles are not significantly affected by use of English vs. Danish or the common houses theme vs. the country-specific smoerrebroed theme. We find no correlation between difficulty and the selected clue types. Datasets of 128+1024 puzzles are published as MultiZebraLogic in each of nine Germanic languages for sizes 2x3 and 4x5. We publish code for puzzle generation, designed for adaptablity into more languages and themes.

The approximation capability of ANNs and their RNN instantiations, is strongly correlated with the number of parameters packed into these networks. However, the complexity barrier for human understanding, is arguably related to the number of neurons and synapses in the networks, and to the associated nonlinear transformations. In this paper we show that the use of biophysical synapses, as found in LTCs, have two main benefits. First, they allow to pack more parameters for a given number of neurons and synapses. Second, they allow to formulate the nonlinear-network transformation, as a linear system with state-dependent coefficients. Both increase interpretability, as for a given task, they allow to learn a system linear in its input features, that is smaller in size compared to the state of the art. We substantiate the above claims on various time-series prediction tasks, but we believe that our results are applicable to any feedforward or recurrent ANN.

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

We introduce WiCkeD, a simple method to increase the complexity of existing multiple-choice benchmarks by randomly replacing a choice with "None of the above", a method often used in educational tests. We show that WiCkeD can be automatically applied to any existing benchmark, making it more challenging. We apply WiCkeD to 6 popular benchmarks and use it to evaluate 18 open-weight LLMs. The performance of the models drops 12.1 points on average with respect to the original versions of the datasets. When using chain-of-thought on 3 MMLU datasets, the performance drop for the WiCkeD variant is similar to the one observed when using the LLMs directly, showing that WiCkeD is also challenging for models with enhanced reasoning abilities. WiCkeD also uncovers that some models are more sensitive to the extra reasoning required, providing additional information with respect to the original benchmarks. We relase our code and data at https://github.com/ahmedselhady/wicked-benchmarks.

We focus on the classification problem with a separable dataset, one of the most important and classical problems from machine learning. The standard approach to this task is logistic regression with gradient descent (LR+GD). Recent studies have observed that LR+GD can find a solution with arbitrarily large step sizes, defying conventional optimization theory. Our work investigates this phenomenon and makes three interconnected key observations about LR+GD with large step sizes. First, we find a remarkably simple explanation of why LR+GD with large step sizes solves the classification problem: LR+GD reduces to a batch version of the celebrated perceptron algorithm when the step size gamma to infty. Second, we observe that larger step sizes lead LR+GD to higher logistic losses when it tends to the perceptron algorithm, but larger step sizes also lead to faster convergence to a solution for the classification problem, meaning that logistic loss is an unreliable metric of the proximity to a solution. Surprisingly, high loss values can actually indicate faster convergence. Third, since the convergence rate in terms of loss function values of LR+GD is unreliable, we examine the iteration complexity required by LR+GD with large step sizes to solve the classification problem and prove that this complexity is suboptimal. To address this, we propose a new method, Normalized LR+GD - based on the connection between LR+GD and the perceptron algorithm - with much better theoretical guarantees.

Maximum mean discrepancy (MMD) flows suffer from high computational costs in large scale computations. In this paper, we show that MMD flows with Riesz kernels K(x,y) = - |x-y|^r, r in (0,2) have exceptional properties which allow their efficient computation. We prove that the MMD of Riesz kernels, which is also known as energy distance, coincides with the MMD of their sliced version. As a consequence, the computation of gradients of MMDs can be performed in the one-dimensional setting. Here, for r=1, a simple sorting algorithm can be applied to reduce the complexity from O(MN+N^2) to O((M+N)log(M+N)) for two measures with M and N support points. As another interesting follow-up result, the MMD of compactly supported measures can be estimated from above and below by the Wasserstein-1 distance. For the implementations we approximate the gradient of the sliced MMD by using only a finite number P of slices. We show that the resulting error has complexity O(d/P), where d is the data dimension. These results enable us to train generative models by approximating MMD gradient flows by neural networks even for image applications. We demonstrate the efficiency of our model by image generation on MNIST, FashionMNIST and CIFAR10.

Sublinear time complexity is required by the massively parallel computation (MPC) model. Breaking dynamic programs into a set of sparse dynamic programs that can be divided, solved, and merged in sublinear time. The rectangle escape problem (REP) is defined as follows: For n axis-aligned rectangles inside an axis-aligned bounding box B, extend each rectangle in only one of the four directions: up, down, left, or right until it reaches B and the density k is minimized, where k is the maximum number of extensions of rectangles to the boundary that pass through a point inside bounding box B. REP is NP-hard for k>1. If the rectangles are points of a grid (or unit squares of a grid), the problem is called the square escape problem (SEP) and it is still NP-hard. We give a 2-approximation algorithm for SEP with kgeq2 with time complexity O(n^{3/2}k^2). This improves the time complexity of existing algorithms which are at least quadratic. Also, the approximation ratio of our algorithm for kgeq 3 is 3/2 which is tight. We also give a 8-approximation algorithm for REP with time complexity O(nlog n+nk) and give a MPC version of this algorithm for k=O(1) which is the first parallel algorithm for this problem.

Answering complex questions is a time-consuming activity for humans that requires reasoning and integration of information. Recent work on reading comprehension made headway in answering simple questions, but tackling complex questions is still an ongoing research challenge. Conversely, semantic parsers have been successful at handling compositionality, but only when the information resides in a target knowledge-base. In this paper, we present a novel framework for answering broad and complex questions, assuming answering simple questions is possible using a search engine and a reading comprehension model. We propose to decompose complex questions into a sequence of simple questions, and compute the final answer from the sequence of answers. To illustrate the viability of our approach, we create a new dataset of complex questions, ComplexWebQuestions, and present a model that decomposes questions and interacts with the web to compute an answer. We empirically demonstrate that question decomposition improves performance from 20.8 precision@1 to 27.5 precision@1 on this new dataset.

The learnability of different neural architectures can be characterized directly by computable measures of data complexity. In this paper, we reframe the problem of architecture selection as understanding how data determines the most expressive and generalizable architectures suited to that data, beyond inductive bias. After suggesting algebraic topology as a measure for data complexity, we show that the power of a network to express the topological complexity of a dataset in its decision region is a strictly limiting factor in its ability to generalize. We then provide the first empirical characterization of the topological capacity of neural networks. Our empirical analysis shows that at every level of dataset complexity, neural networks exhibit topological phase transitions. This observation allowed us to connect existing theory to empirically driven conjectures on the choice of architectures for fully-connected neural networks.

Among the hardest tasks for humans are those found in competitive programming where problems require sophisticated algorithmic thinking, puzzle solving, and the creation of effective code. As a domain to assess language models (LMs), it has not received enough attention, though. This study presents the ICPC benchmark, which consists of 254 international collegiate programming contest (ICPC) tasks. Each problem includes official analysis, reference code, and sample, high-quality unit, and hidden tests. We are able to develop and evaluate a variety of LM inference techniques for competitive programming with these resources. With zero-shot chain-of-thought prompting, we find that o1 only achieves a 19.1\% pass@1 solve rate. With our best inference technique, which combines multi-turn self-judge with reflection and retrieval over episodic information, raises this to 42.2\%. Furthermore, we conduct a new human-in-the-loop investigation to gain a deeper understanding of the remaining difficulties. Surprisingly, we discover that o1 can solve 17 out of 18 problems that were previously unsolvable by any model or technique with just a few specific instructions. A footstep toward LMs with grounded, imaginative, and algorithmic thinking is provided by our quantitative findings and qualitative research. We open-source our code and data at https://github.com/kraritt/zolve.

Language exhibits a fractal structure in its information-theoretic complexity (i.e. bits per token), with self-similarity across scales and long-range dependence (LRD). In this work, we investigate whether large language models (LLMs) can replicate such fractal characteristics and identify conditions-such as temperature setting and prompting method-under which they may fail. Moreover, we find that the fractal parameters observed in natural language are contained within a narrow range, whereas those of LLMs' output vary widely, suggesting that fractal parameters might prove helpful in detecting a non-trivial portion of LLM-generated texts. Notably, these findings, and many others reported in this work, are robust to the choice of the architecture; e.g. Gemini 1.0 Pro, Mistral-7B and Gemma-2B. We also release a dataset comprising of over 240,000 articles generated by various LLMs (both pretrained and instruction-tuned) with different decoding temperatures and prompting methods, along with their corresponding human-generated texts. We hope that this work highlights the complex interplay between fractal properties, prompting, and statistical mimicry in LLMs, offering insights for generating, evaluating and detecting synthetic texts.

Maximizing a monotone submodular function under cardinality constraint k is a core problem in machine learning and database with many basic applications, including video and data summarization, recommendation systems, feature extraction, exemplar clustering, and coverage problems. We study this classic problem in the fully dynamic model where a stream of insertions and deletions of elements of an underlying ground set is given and the goal is to maintain an approximate solution using a fast update time. A recent paper at NeurIPS'20 by Lattanzi, Mitrovic, Norouzi{-}Fard, Tarnawski, Zadimoghaddam claims to obtain a dynamic algorithm for this problem with a 1{2} -epsilon approximation ratio and a query complexity bounded by poly(log(n),log(k),epsilon^{-1}). However, as we explain in this paper, the analysis has some important gaps. Having a dynamic algorithm for the problem with polylogarithmic update time is even more important in light of a recent result by Chen and Peng at STOC'22 who show a matching lower bound for the problem -- any randomized algorithm with a 1{2}+epsilon approximation ratio must have an amortized query complexity that is polynomial in n. In this paper, we develop a simpler algorithm for the problem that maintains a (1{2}-epsilon)-approximate solution for submodular maximization under cardinality constraint k using a polylogarithmic amortized update time.

The remarkable capabilities of Large Language Model (LLM)-driven agents have enabled sophisticated systems to tackle complex, multi-step tasks, but their escalating costs threaten scalability and accessibility. This work presents the first systematic study of the efficiency-effectiveness trade-off in modern agent systems, addressing the critical need for cost-effective designs without sacrificing performance. We investigate three key questions: (1) How much complexity do agentic tasks inherently require? (2) When do additional modules yield diminishing returns? (3) How much efficiency can be gained through the design of efficient agent frameworks? Through an empirical analysis on the GAIA benchmark, we evaluate the impact of LLM backbone selection, agent framework designs, and test-time scaling strategies. Using the cost-of-pass metric, we quantify the efficiency-performance trade-off across these dimensions. Our findings inform the development of Efficient Agents , a novel agent framework that has an optimal complexity to task requirements. Efficient Agents retains 96.7% of the performance of OWL, one leading open-source agent framework, while reducing operational costs from 0.398 to 0.228, resulting in a 28.4% improvement in cost-of-pass. Our work provides actionable insights for designing efficient, high-performing agent systems, advancing the accessibility and sustainability of AI-driven solutions.

It is almost always easier to find an accurate-but-complex model than an accurate-yet-simple model. Finding optimal, sparse, accurate models of various forms (linear models with integer coefficients, decision sets, rule lists, decision trees) is generally NP-hard. We often do not know whether the search for a simpler model will be worthwhile, and thus we do not go to the trouble of searching for one. In this work, we ask an important practical question: can accurate-yet-simple models be proven to exist, or shown likely to exist, before explicitly searching for them? We hypothesize that there is an important reason that simple-yet-accurate models often do exist. This hypothesis is that the size of the Rashomon set is often large, where the Rashomon set is the set of almost-equally-accurate models from a function class. If the Rashomon set is large, it contains numerous accurate models, and perhaps at least one of them is the simple model we desire. In this work, we formally present the Rashomon ratio as a new gauge of simplicity for a learning problem, depending on a function class and a data set. The Rashomon ratio is the ratio of the volume of the set of accurate models to the volume of the hypothesis space, and it is different from standard complexity measures from statistical learning theory. Insight from studying the Rashomon ratio provides an easy way to check whether a simpler model might exist for a problem before finding it, namely whether several different machine learning methods achieve similar performance on the data. In that sense, the Rashomon ratio is a powerful tool for understanding why and when an accurate-yet-simple model might exist. If, as we hypothesize in this work, many real-world data sets admit large Rashomon sets, the implications are vast: it means that simple or interpretable models may often be used for high-stakes decisions without losing accuracy.

We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d. data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number, and more. For primality testing, our theorem shows the following. Suppose that we draw an i.i.d. sample of Theta(N^{delta}ln N) numbers uniformly at random from 1 to N, where deltain (0,1). For each number x_i, let y_i = 1 if x_i is a prime and 0 if it is not. Then with high probability, the MDL network fitted to this data accurately answers whether a newly drawn number between 1 and N is a prime or not, with test error leq O(N^{-delta}). Note that the network is not designed to detect primes; minimum description learning discovers a network which does so.

Recent automatic curriculum learning algorithms, and in particular Teacher-Student algorithms, rely on the notion of learning progress, making the assumption that the good next tasks are the ones on which the learner is making the fastest progress or digress. In this work, we first propose a simpler and improved version of these algorithms. We then argue that the notion of learning progress itself has several shortcomings that lead to a low sample efficiency for the learner. We finally propose a new algorithm, based on the notion of mastering rate, that significantly outperforms learning progress-based algorithms.

Code optimization is a daunting task that requires a significant level of expertise from experienced programmers. This level of expertise is not sufficient when compared to the rapid development of new hardware architectures. Towards advancing the whole code optimization process, recent approaches rely on machine learning and artificial intelligence techniques. This paper introduces a new framework to decrease the complexity of code optimization. The proposed framework builds on large language models (LLMs) and reinforcement learning (RL) and enables LLMs to receive feedback from their environment (i.e., unit tests) during the fine-tuning process. We compare our framework with existing state-of-the-art models and show that it is more efficient with respect to speed and computational usage, as a result of the decrement in training steps and its applicability to models with fewer parameters. Additionally, our framework reduces the possibility of logical and syntactical errors. Toward evaluating our approach, we run several experiments on the PIE dataset using a CodeT5 language model and RRHF, a new reinforcement learning algorithm. We adopt a variety of evaluation metrics with regards to optimization quality, and speedup. The evaluation results demonstrate that the proposed framework has similar results in comparison with existing models using shorter training times and smaller pre-trained models. In particular, we accomplish an increase of 5.6% and 2.2 over the baseline models concerning the %OP T and SP metrics.

Why should moral philosophers, moral psychologists, and machine ethicists care about computational complexity? Debates on whether artificial intelligence (AI) can or should be used to solve problems in ethical domains have mainly been driven by what AI can or cannot do in terms of human capacities. In this paper, we tackle the problem from the other end by exploring what kind of moral machines are possible based on what computational systems can or cannot do. To do so, we analyze normative ethics through the lens of computational complexity. First, we introduce computational complexity for the uninitiated reader and discuss how the complexity of ethical problems can be framed within Marr's three levels of analysis. We then study a range of ethical problems based on consequentialism, deontology, and virtue ethics, with the aim of elucidating the complexity associated with the problems themselves (e.g., due to combinatorics, uncertainty, strategic dynamics), the computational methods employed (e.g., probability, logic, learning), and the available resources (e.g., time, knowledge, learning). The results indicate that most problems the normative frameworks pose lead to tractability issues in every category analyzed. Our investigation also provides several insights about the computational nature of normative ethics, including the differences between rule- and outcome-based moral strategies, and the implementation-variance with regard to moral resources. We then discuss the consequences complexity results have for the prospect of moral machines in virtue of the trade-off between optimality and efficiency. Finally, we elucidate how computational complexity can be used to inform both philosophical and cognitive-psychological research on human morality by advancing the Moral Tractability Thesis (MTT).

We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.

Learning rate schedules used in practice bear little resemblance to those recommended by theory. We close much of this theory/practice gap, and as a consequence are able to derive new problem-adaptive learning rate schedules. Our key technical contribution is a refined analysis of learning rate schedules for a wide class of optimization algorithms (including SGD). In contrast to most prior works that study the convergence of the average iterate, we study the last iterate, which is what most people use in practice. When considering only worst-case analysis, our theory predicts that the best choice is the linear decay schedule: a popular choice in practice that sets the stepsize proportionally to 1 - t/T, where t is the current iteration and T is the total number of steps. To go beyond this worst-case analysis, we use the observed gradient norms to derive schedules refined for any particular task. These refined schedules exhibit learning rate warm-up and rapid learning rate annealing near the end of training. Ours is the first systematic approach to automatically yield both of these properties. We perform the most comprehensive evaluation of learning rate schedules to date, evaluating across 10 diverse deep learning problems, a series of LLMs, and a suite of logistic regression problems. We validate that overall, the linear-decay schedule matches or outperforms all commonly used default schedules including cosine annealing, and that our schedule refinement method gives further improvements.

Transformer large language models (LLMs) have sparked admiration for their exceptional performance on tasks that demand intricate multi-step reasoning. Yet, these models simultaneously show failures on surprisingly trivial problems. This begs the question: Are these errors incidental, or do they signal more substantial limitations? In an attempt to demystify Transformers, we investigate the limits of these models across three representative compositional tasks -- multi-digit multiplication, logic grid puzzles, and a classic dynamic programming problem. These tasks require breaking problems down into sub-steps and synthesizing these steps into a precise answer. We formulate compositional tasks as computation graphs to systematically quantify the level of complexity, and break down reasoning steps into intermediate sub-procedures. Our empirical findings suggest that Transformers solve compositional tasks by reducing multi-step compositional reasoning into linearized subgraph matching, without necessarily developing systematic problem-solving skills. To round off our empirical study, we provide theoretical arguments on abstract multi-step reasoning problems that highlight how Transformers' performance will rapidly decay with increased task complexity.

Large language models (LLMs) have shown remarkable improvements in reasoning and many existing benchmarks have been addressed by models such as o1 and o3 either fully or partially. However, a majority of these benchmarks emphasize deductive reasoning, including mathematical and coding tasks in which rules such as mathematical axioms or programming syntax are clearly defined, based on which LLMs can plan and apply these rules to arrive at a solution. In contrast, inductive reasoning, where one infers the underlying rules from observed data, remains less explored. Such inductive processes lie at the heart of scientific discovery, as they enable researchers to extract general principles from empirical observations. To assess whether LLMs possess this capacity, we introduce InductionBench, a new benchmark designed to evaluate the inductive reasoning ability of LLMs. Our experimental findings reveal that even the most advanced models available struggle to master the simplest complexity classes within the subregular hierarchy of functions, highlighting a notable deficiency in current LLMs' inductive reasoning capabilities. Coda and data are available https://github.com/Wenyueh/inductive_reasoning_benchmark.

How much is 56 times 37? Language models often make mistakes in these types of difficult calculations. This is usually explained by their inability to perform complex reasoning. Since language models rely on large training sets and great memorization capability, naturally they are not equipped to run complex calculations. However, one can argue that humans also cannot perform this calculation immediately and require a considerable amount of time to construct the solution. In order to enhance the generalization capability of language models, and as a parallel to human behavior, we propose to use special 'thinking tokens' which allow the model to perform much more calculations whenever a complex problem is encountered.

Contrastive learning is a highly successful technique for learning representations of data from labeled tuples, specifying the distance relations within the tuple. We study the sample complexity of contrastive learning, i.e. the minimum number of labeled tuples sufficient for getting high generalization accuracy. We give tight bounds on the sample complexity in a variety of settings, focusing on arbitrary distance functions, both general ell_p-distances, and tree metrics. Our main result is an (almost) optimal bound on the sample complexity of learning ell_p-distances for integer p. For any p ge 1 we show that tilde Theta(min(nd,n^2)) labeled tuples are necessary and sufficient for learning d-dimensional representations of n-point datasets. Our results hold for an arbitrary distribution of the input samples and are based on giving the corresponding bounds on the Vapnik-Chervonenkis/Natarajan dimension of the associated problems. We further show that the theoretical bounds on sample complexity obtained via VC/Natarajan dimension can have strong predictive power for experimental results, in contrast with the folklore belief about a substantial gap between the statistical learning theory and the practice of deep learning.

The rapid progress of image generative AI has blurred the boundary between synthetic and real images, fueling an arms race between generators and discriminators. This paper investigates the conditions under which discriminators are most disadvantaged in this competition. We analyze two key factors: data dimensionality and data complexity. While increased dimensionality often strengthens the discriminators ability to detect subtle inconsistencies, complexity introduces a more nuanced effect. Using Kolmogorov complexity as a measure of intrinsic dataset structure, we show that both very simple and highly complex datasets reduce the detectability of synthetic images; generators can learn simple datasets almost perfectly, whereas extreme diversity masks imperfections. In contrast, intermediate-complexity datasets create the most favorable conditions for detection, as generators fail to fully capture the distribution and their errors remain visible.

Large language models (LLMs) are increasingly being applied to programming tasks, ranging from single-turn code completion to autonomous agents. Current code agent designs frequently depend on complex, hand-crafted workflows and tool sets. However, this reliance on elaborate scaffolding presents several challenges: agent performance becomes overly dependent on prompt tuning and custom design choices, heavy human intervention obscures a model's true underlying capabilities, and intricate pipelines are costly to build and maintain. Furthermore, optimizing complex task prompts increases the risk of data leakage. Currently, when introducing new models, LLM providers like OpenAI and Anthropic often publish benchmark scores to demonstrate their models' coding proficiency, but keep their proprietary evaluation frameworks confidential. To address these limitations, we introduce Lita (Lite Agent), which operationalizes liteness, a principle of minimizing manual design while retaining the essential elements of a fully autonomous agent. Lita enables a more faithful and unified evaluation without elaborate scaffolding. Experiments on the Aider Polyglot and SWE-Bench with frontier models demonstrate that Lita achieves competitive or superior performance compared to workflow-based and agentic baselines. Crucially, Lita also consumes fewer tokens and requires significantly less design effort. Our results suggest that Lita is sufficient to reveal the underlying coding competence of modern LLMs. Finally, we propose the Agent Complexity Law: the performance gap between agents of varying complexity, from simple to sophisticated designs, will shrink as the core model improves, ultimately converging to a negligible difference.

While generalization over tasks from easy to hard is crucial to profile language models (LLMs), the datasets with fine-grained difficulty annotations for each problem across a broad range of complexity are still blank. Aiming to address this limitation, we present Easy2Hard-Bench, a consistently formatted collection of 6 benchmark datasets spanning various domains, such as mathematics and programming problems, chess puzzles, and reasoning questions. Each problem within these datasets is annotated with numerical difficulty scores. To systematically estimate problem difficulties, we collect abundant performance data on attempts to each problem by humans in the real world or LLMs on the prominent leaderboard. Leveraging the rich performance data, we apply well-established difficulty ranking systems, such as Item Response Theory (IRT) and Glicko-2 models, to uniformly assign numerical difficulty scores to problems. Moreover, datasets in Easy2Hard-Bench distinguish themselves from previous collections by a higher proportion of challenging problems. Through extensive experiments with six state-of-the-art LLMs, we provide a comprehensive analysis of their performance and generalization capabilities across varying levels of difficulty, with the aim of inspiring future research in LLM generalization. The datasets are available at https://huggingface.co/datasets/furonghuang-lab/Easy2Hard-Bench.

The ability of Large Language Models (LLMs) to generate structured outputs, such as JSON, is crucial for their use in Compound AI Systems. However, evaluating and improving this capability remains challenging. In this work, we introduce StructuredRAG, a benchmark of six tasks designed to assess LLMs' proficiency in following response format instructions. We evaluate two state-of-the-art LLMs, Gemini 1.5 Pro and Llama 3 8B-instruct with 4-bit quantization using two distinct prompting strategies. We introduce these prompting strategies as f-String and Follow the Format (FF) prompting. Across 24 experiments, we find an average success rate of 82.55%. We further find a high variance in performance across tasks, models, and prompting strategies with success rates ranging from 0 to 100%. We find that Llama 3 8B-instruct often performs competitively with Gemini 1.5 Pro. We observe that task complexity significantly influences performance, with tasks involving lists or composite object outputs proving more challenging. Our findings highlight the need for further research into improving the reliability and consistency of structured output generation in LLMs. We have open-sourced our experimental code and results at github.com/weaviate/structured-rag.

We trained 13,440 large language models and found that entropy minimization requires only a single unlabeled data and 10 steps optimization to achieve performance improvements comparable to or even greater than those obtained using thousands of data and carefully designed rewards in rule-based reinforcement learning. This striking result may prompt a rethinking of post-training paradigms for large language models. Our code is avaliable at https://github.com/zitian-gao/one-shot-em.

It is known that the learning rate is the most important hyper-parameter to tune for training deep neural networks. This paper describes a new method for setting the learning rate, named cyclical learning rates, which practically eliminates the need to experimentally find the best values and schedule for the global learning rates. Instead of monotonically decreasing the learning rate, this method lets the learning rate cyclically vary between reasonable boundary values. Training with cyclical learning rates instead of fixed values achieves improved classification accuracy without a need to tune and often in fewer iterations. This paper also describes a simple way to estimate "reasonable bounds" -- linearly increasing the learning rate of the network for a few epochs. In addition, cyclical learning rates are demonstrated on the CIFAR-10 and CIFAR-100 datasets with ResNets, Stochastic Depth networks, and DenseNets, and the ImageNet dataset with the AlexNet and GoogLeNet architectures. These are practical tools for everyone who trains neural networks.

Large Reasoning Models (LRMs) have demonstrated impressive performance on complex tasks, including logical puzzle games that require deriving solutions satisfying all constraints. However, whether they can flexibly apply appropriate rules to varying conditions, particularly when faced with non-canonical game variants, remains an open question. Existing corpora focus on popular puzzles like 9x9 Sudoku, risking overfitting to canonical formats and memorization of solution patterns, which can mask deficiencies in understanding novel rules or adapting strategies to new variants. To address this, we introduce HardcoreLogic, a challenging benchmark of over 5,000 puzzles across 10 games, designed to test the robustness of LRMs on the "long-tail" of logical games. HardcoreLogic systematically transforms canonical puzzles through three dimensions: Increased Complexity (IC), Uncommon Elements (UE), and Unsolvable Puzzles (UP), reducing reliance on shortcut memorization. Evaluations on a diverse set of LRMs reveal significant performance drops, even for models achieving top scores on existing benchmarks, indicating heavy reliance on memorized stereotypes. While increased complexity is the dominant source of difficulty, models also struggle with subtle rule variations that do not necessarily increase puzzle difficulty. Our systematic error analysis on solvable and unsolvable puzzles further highlights gaps in genuine reasoning. Overall, HardcoreLogic exposes the limitations of current LRMs and establishes a benchmark for advancing high-level logical reasoning.

We study the effectiveness of Feature Density (FD) using different linguistically-backed feature preprocessing methods in order to estimate dataset complexity, which in turn is used to comparatively estimate the potential performance of machine learning (ML) classifiers prior to any training. We hypothesise that estimating dataset complexity allows for the reduction of the number of required experiments iterations. This way we can optimize the resource-intensive training of ML models which is becoming a serious issue due to the increases in available dataset sizes and the ever rising popularity of models based on Deep Neural Networks (DNN). The problem of constantly increasing needs for more powerful computational resources is also affecting the environment due to alarmingly-growing amount of CO2 emissions caused by training of large-scale ML models. The research was conducted on multiple datasets, including popular datasets, such as Yelp business review dataset used for training typical sentiment analysis models, as well as more recent datasets trying to tackle the problem of cyberbullying, which, being a serious social problem, is also a much more sophisticated problem form the point of view of linguistic representation. We use cyberbullying datasets collected for multiple languages, namely English, Japanese and Polish. The difference in linguistic complexity of datasets allows us to additionally discuss the efficacy of linguistically-backed word preprocessing.

It has been observed that the input space of deep neural network classifiers can exhibit `fragmentation', where the model function rapidly changes class as the input space is traversed. The severity of this fragmentation tends to follow the double descent curve, achieving a maximum at the interpolation regime. We study this phenomenon in the context of image classification and ask whether fragmentation could be predictive of generalization performance. Using a fragmentation-based complexity measure, we show this to be possible by achieving good performance on the PGDL (Predicting Generalization in Deep Learning) benchmark. In addition, we report on new observations related to fragmentation, namely (i) fragmentation is not limited to the input space but occurs in the hidden representations as well, (ii) fragmentation follows the trends in the validation error throughout training, and (iii) fragmentation is not a direct result of increased weight norms. Together, this indicates that fragmentation is a phenomenon worth investigating further when studying the generalization ability of deep neural networks.

Chain-of-thought reasoning, while powerful, can produce unnecessarily verbose output for simpler problems. We present a framework for difficulty-aware reasoning that teaches models to dynamically adjust reasoning depth based on problem complexity. Remarkably, we show that models can be endowed with such dynamic inference pathways without any architectural modifications; we simply post-train on data that is carefully curated to include chain-of-thought traces that are proportional in length to problem difficulty. Our analysis reveals that post-training via supervised fine-tuning (SFT) primarily captures patterns like reasoning length and format, while direct preference optimization (DPO) preserves reasoning accuracy, with their combination reducing length and maintaining or improving performance. Both quantitative metrics and qualitative assessments confirm that models can learn to "think proportionally", reasoning minimally on simple problems while maintaining depth for complex ones.

Large language models (LLMs) can understand human instructions, showing their potential for pragmatic applications beyond traditional NLP tasks. However, they still struggle with complex instructions, which can be either complex task descriptions that require multiple tasks and constraints, or complex input that contains long context, noise, heterogeneous information and multi-turn format. Due to these features, LLMs often ignore semantic constraints from task descriptions, generate incorrect formats, violate length or sample count constraints, and be unfaithful to the input text. Existing benchmarks are insufficient to assess LLMs' ability to understand complex instructions, as they are close-ended and simple. To bridge this gap, we propose CELLO, a benchmark for evaluating LLMs' ability to follow complex instructions systematically. We design eight features for complex instructions and construct a comprehensive evaluation dataset from real-world scenarios. We also establish four criteria and develop corresponding metrics, as current ones are inadequate, biased or too strict and coarse-grained. We compare the performance of representative Chinese-oriented and English-oriented models in following complex instructions through extensive experiments. Resources of CELLO are publicly available at https://github.com/Abbey4799/CELLO.

A simple design recipe for deep Transformers is to compose identical building blocks. But standard transformer blocks are far from simple, interweaving attention and MLP sub-blocks with skip connections & normalisation layers in precise arrangements. This complexity leads to brittle architectures, where seemingly minor changes can significantly reduce training speed, or render models untrainable. In this work, we ask to what extent the standard transformer block can be simplified? Combining signal propagation theory and empirical observations, we motivate modifications that allow many block components to be removed with no loss of training speed, including skip connections, projection or value parameters, sequential sub-blocks and normalisation layers. In experiments on both autoregressive decoder-only and BERT encoder-only models, our simplified transformers emulate the per-update training speed and performance of standard transformers, while enjoying 15% faster training throughput, and using 15% fewer parameters.

Sequential learning with feedback graphs is a natural extension of the multi-armed bandit problem where the problem is equipped with an underlying graph structure that provides additional information - playing an action reveals the losses of all the neighbors of the action. This problem was introduced by mannor2011 and received considerable attention in recent years. It is generally stated in the literature that the minimax regret rate for this problem is of order alpha T, where alpha is the independence number of the graph, and T is the time horizon. However, this is proven only when the number of rounds T is larger than alpha^3, which poses a significant restriction for the usability of this result in large graphs. In this paper, we define a new quantity R^*, called the problem complexity, and prove that the minimax regret is proportional to R^* for any graph and time horizon T. Introducing an intricate exploration strategy, we define the \mainAlgorithm algorithm that achieves the minimax optimal regret bound and becomes the first provably optimal algorithm for this setting, even if T is smaller than alpha^3.

Large language models exhibit a puzzling inconsistency: they solve complex problems yet frequently fail on seemingly simpler ones. We investigate whether LLMs internally encode problem difficulty in a way that aligns with human judgment, and whether this representation tracks generalization during reinforcement learning post-training. We train linear probes across layers and token positions on 60 models, evaluating on mathematical and coding subsets of Easy2HardBench. We find that human-labeled difficulty is strongly linearly decodable (AMC: rho approx 0.88) and exhibits clear model-size scaling, whereas LLM-derived difficulty is substantially weaker and scales poorly. Steering along the difficulty direction reveals that pushing models toward "easier" representations reduces hallucination and improves accuracy. During GRPO training on Qwen2.5-Math-1.5B, the human-difficulty probe strengthens and positively correlates with test accuracy across training steps, while the LLM-difficulty probe degrades and negatively correlates with performance. These results suggest that human annotations provide a stable difficulty signal that RL amplifies, while automated difficulty estimates derived from model performance become misaligned precisely as models improve. We release probe code and evaluation scripts to facilitate replication.

Writing is a cognitively demanding task involving continuous decision-making, heavy use of working memory, and frequent switching between multiple activities. Scholarly writing is particularly complex as it requires authors to coordinate many pieces of multiform knowledge. To fully understand writers' cognitive thought process, one should fully decode the end-to-end writing data (from individual ideas to final manuscript) and understand their complex cognitive mechanisms in scholarly writing. We introduce ScholaWrite dataset, the first-of-its-kind keystroke logs of an end-to-end scholarly writing process for complete manuscripts, with thorough annotations of cognitive writing intentions behind each keystroke. Our dataset includes LaTeX-based keystroke data from five preprints with nearly 62K total text changes and annotations across 4 months of paper writing. ScholaWrite shows promising usability and applications (e.g., iterative self-writing) for the future development of AI writing assistants for academic research, which necessitate complex methods beyond LLM prompting. Our experiments clearly demonstrated the importance of collection of end-to-end writing data, rather than the final manuscript, for the development of future writing assistants to support the cognitive thinking process of scientists. Our de-identified dataset, demo, and code repository are available on our project page.

In this paper, we explore the impact of augmenting pre-trained Encoder-Decoder models, specifically T5, with linguistic knowledge for the prediction of a target task. In particular, we investigate whether fine-tuning a T5 model on an intermediate task that predicts structural linguistic properties of sentences modifies its performance in the target task of predicting sentence-level complexity. Our study encompasses diverse experiments conducted on Italian and English datasets, employing both monolingual and multilingual T5 models at various sizes. Results obtained for both languages and in cross-lingual configurations show that linguistically motivated intermediate fine-tuning has generally a positive impact on target task performance, especially when applied to smaller models and in scenarios with limited data availability.

In this work, we investigate whether small language models can determine high-quality subsets of large-scale text datasets that improve the performance of larger language models. While existing work has shown that pruning based on the perplexity of a larger model can yield high-quality data, we investigate whether smaller models can be used for perplexity-based pruning and how pruning is affected by the domain composition of the data being pruned. We demonstrate that for multiple dataset compositions, perplexity-based pruning of pretraining data can significantly improve downstream task performance: pruning based on perplexities computed with a 125 million parameter model improves the average performance on downstream tasks of a 3 billion parameter model by up to 2.04 and achieves up to a 1.45times reduction in pretraining steps to reach commensurate baseline performance. Furthermore, we demonstrate that such perplexity-based data pruning also yields downstream performance gains in the over-trained and data-constrained regimes.

Understanding the internal representations of large language models (LLMs) remains a central challenge for interpretability research. Sparse autoencoders (SAEs) offer a promising solution by decomposing activations into interpretable features, but existing approaches rely on fixed sparsity constraints that fail to account for input complexity. We propose Adaptive Top K Sparse Autoencoders (AdaptiveK), a novel framework that dynamically adjusts sparsity levels based on the semantic complexity of each input. Leveraging linear probes, we demonstrate that context complexity is linearly encoded in LLM representations, and we use this signal to guide feature allocation during training. Experiments across three language models (Pythia-70M, Pythia-160M, and Gemma-2-2B) demonstrate that this complexity-driven adaptation significantly outperforms fixed-sparsity approaches on reconstruction fidelity, explained variance, and cosine similarity metrics while eliminating the computational burden of extensive hyperparameter tuning.

The time complexity of the standard attention mechanism in a transformer scales quadratically with the length of the sequence. We introduce a method to reduce this to linear scaling with time, based on defining attention via latent vectors. The method is readily usable as a drop-in replacement for the standard attention mechanism. Our "Latte Transformer" model can be implemented for both bidirectional and unidirectional tasks, with the causal version allowing a recurrent implementation which is memory and time-efficient during inference of language generation tasks. Whilst next token prediction scales linearly with the sequence length for a standard transformer, a Latte Transformer requires constant time to compute the next token. The empirical performance of our method is comparable to standard attention, yet allows scaling to context windows much larger than practical in standard attention.

Transformer models cannot easily scale to long sequences due to their O(N^2) time and space complexity. This has led to Transformer variants seeking to lower computational complexity, such as Longformer and Performer. While such models have theoretically greater efficiency, their effectiveness on real NLP tasks has not been well studied. We benchmark 7 variants of Transformer models on 5 difficult NLP tasks and 7 datasets. We design experiments to isolate the effect of pretraining and hyperparameter settings, to focus on their capacity for long-range attention. Moreover, we present various methods to investigate attention behaviors to illuminate model details beyond metric scores. We find that the modified attention in long-range transformers has advantages on content selection and query-guided decoding, but they come with previously unrecognized drawbacks such as insufficient attention to distant tokens and accumulated approximation error.

Text simplification aims at making a text easier to read and understand by simplifying grammar and structure while keeping the underlying information identical. It is often considered an all-purpose generic task where the same simplification is suitable for all; however multiple audiences can benefit from simplified text in different ways. We adapt a discrete parametrization mechanism that provides explicit control on simplification systems based on Sequence-to-Sequence models. As a result, users can condition the simplifications returned by a model on attributes such as length, amount of paraphrasing, lexical complexity and syntactic complexity. We also show that carefully chosen values of these attributes allow out-of-the-box Sequence-to-Sequence models to outperform their standard counterparts on simplification benchmarks. Our model, which we call ACCESS (as shorthand for AudienCe-CEntric Sentence Simplification), establishes the state of the art at 41.87 SARI on the WikiLarge test set, a +1.42 improvement over the best previously reported score.

How can we train models to perform well on hard test data when hard training data is by definition difficult to label correctly? This question has been termed the scalable oversight problem and has drawn increasing attention as language models have continually improved. In this paper, we present the surprising conclusion that current language models often generalize relatively well from easy to hard data, even performing as well as "oracle" models trained on hard data. We demonstrate this kind of easy-to-hard generalization using simple training methods like in-context learning, linear classifier heads, and QLoRA for seven different measures of datapoint hardness, including six empirically diverse human hardness measures (like grade level) and one model-based measure (loss-based). Furthermore, we show that even if one cares most about model performance on hard data, it can be better to collect and train on easy data rather than hard data, since hard data is generally noisier and costlier to collect. Our experiments use open models up to 70b in size and four publicly available question-answering datasets with questions ranging in difficulty from 3rd grade science questions to college level STEM questions and general-knowledge trivia. We conclude that easy-to-hard generalization in LMs is surprisingly strong for the tasks studied, suggesting the scalable oversight problem may be easier than previously thought. Our code is available at https://github.com/allenai/easy-to-hard-generalization

Large language models (LLMs) are increasingly considered as tutoring aids in science education. Yet their readiness for unsupervised use in undergraduate instruction remains uncertain, as reliable teaching requires more than fluent recall: it demands consistent, principle-grounded reasoning. Thermodynamics, with its compact laws and subtle distinctions between state and path functions, reversibility, and entropy, provides an ideal testbed for evaluating such capabilities. Here we present UTQA, a 50-item undergraduate thermodynamics question answering benchmark, covering ideal-gas processes, reversibility, and diagram interpretation. No leading 2025-era model exceeded our 95\% competence threshold: the best LLMs achieved 82\% accuracy, with text-only items performing better than image reasoning tasks, which often fell to chance levels. Prompt phrasing and syntactic complexity showed modest to little correlation with performance. The gap concentrates in finite-rate/irreversible scenarios and in binding visual features to thermodynamic meaning, indicating that current LLMs are not yet suitable for unsupervised tutoring in this domain.

We present models for encoding sentences into embedding vectors that specifically target transfer learning to other NLP tasks. The models are efficient and result in accurate performance on diverse transfer tasks. Two variants of the encoding models allow for trade-offs between accuracy and compute resources. For both variants, we investigate and report the relationship between model complexity, resource consumption, the availability of transfer task training data, and task performance. Comparisons are made with baselines that use word level transfer learning via pretrained word embeddings as well as baselines do not use any transfer learning. We find that transfer learning using sentence embeddings tends to outperform word level transfer. With transfer learning via sentence embeddings, we observe surprisingly good performance with minimal amounts of supervised training data for a transfer task. We obtain encouraging results on Word Embedding Association Tests (WEAT) targeted at detecting model bias. Our pre-trained sentence encoding models are made freely available for download and on TF Hub.

Accurate prediction of suitable discourse connectives (however, furthermore, etc.) is a key component of any system aimed at building coherent and fluent discourses from shorter sentences and passages. As an example, a dialog system might assemble a long and informative answer by sampling passages extracted from different documents retrieved from the Web. We formulate the task of discourse connective prediction and release a dataset of 2.9M sentence pairs separated by discourse connectives for this task. Then, we evaluate the hardness of the task for human raters, apply a recently proposed decomposable attention (DA) model to this task and observe that the automatic predictor has a higher F1 than human raters (32 vs. 30). Nevertheless, under specific conditions the raters still outperform the DA model, suggesting that there is headroom for future improvements.

The great success of transformer-based models in natural language processing (NLP) has led to various attempts at adapting these architectures to other domains such as vision and audio. Recent work has shown that transformers can outperform Convolutional Neural Networks (CNNs) on vision and audio tasks. However, one of the main shortcomings of transformer models, compared to the well-established CNNs, is the computational complexity. In transformers, the compute and memory complexity is known to grow quadratically with the input length. Therefore, there has been extensive work on optimizing transformers, but often at the cost of degrading predictive performance. In this work, we propose a novel method to optimize and regularize transformers on audio spectrograms. Our proposed models achieve a new state-of-the-art performance on Audioset and can be trained on a single consumer-grade GPU. Furthermore, we propose a transformer model that outperforms CNNs in terms of both performance and training speed. Source code: https://github.com/kkoutini/PaSST

This paper discusses about a sorting algorithm which uses the concept of buckets where each bucket represents a certain number of digits. A two dimensional data structure is used where one dimension represents buckets i. e; number of digits and each bucket's corresponding dimensions represents the input numbers that belong to that bucket. Each bucket is then individually sorted. Since every preceding bucket elements will always be smaller than the succeeding buckets no comparison between them is required. By doing this we can significantly reduced the time complexity of any sorting algorithm used to sort the given set of inputs.

Many recent works have discussed the propensity, or lack thereof, for emergent languages to exhibit properties of natural languages. A favorite in the literature is learning compositionality. We note that most of those works have focused on communicative bandwidth as being of primary importance. While important, it is not the only contributing factor. In this paper, we investigate the learning biases that affect the efficacy and compositionality of emergent languages. Our foremost contribution is to explore how capacity of a neural network impacts its ability to learn a compositional language. We additionally introduce a set of evaluation metrics with which we analyze the learned languages. Our hypothesis is that there should be a specific range of model capacity and channel bandwidth that induces compositional structure in the resulting language and consequently encourages systematic generalization. While we empirically see evidence for the bottom of this range, we curiously do not find evidence for the top part of the range and believe that this is an open question for the community.

The k-Coloring problem on hereditary graph classes has been a deeply researched problem over the last decade. A hereditary graph class is characterized by a (possibly infinite) list of minimal forbidden induced subgraphs. We say that a graph is (H_1,H_2,ldots)-free if it does not contain any of H_1,H_2,ldots as induced subgraphs. The complexity landscape of the problem remains unclear even when restricting to the case k=4 and classes defined by a few forbidden induced subgraphs. While the case of only one forbidden induced subgraph has been completely resolved lately, the complexity when considering two forbidden induced subgraphs still has a couple of unknown cases. In particular, 4-Coloring on (P_6,C_3)-free graphs is polynomial while it is NP-hard on (P_{22},C_3)-free graphs. We provide a reduction showing NP-completeness of 4-Coloring on (P_t,C_3)-free graphs for 19leq tleq 21, thus constricting the gap of cases whose complexity remains unknown. Our proof includes a computer search ensuring that the graph family obtained through the reduction is indeed P_{19}-free.

Large Language Models (LLMs) are widely used for code generation. However, commercial models like ChatGPT require significant computing power, which leads to high energy use and carbon emissions. This has raised concerns about their environmental impact. In this study, we evaluate open-source Small Language Models (SLMs) trained explicitly for code generation and compare their performance and energy efficiency against large LLMs and efficient human-written Python code. The goal is to investigate whether SLMs can match the performance of LLMs on certain types of programming problems while producing more energy-efficient code. We evaluate 150 coding problems from LeetCode, evenly distributed across three difficulty levels: easy, medium, and hard. Our comparison includes three small open-source models, StableCode-3B, StarCoderBase-3B, and Qwen2.5-Coder-3B-Instruct, and two large commercial models, GPT-4.0 and DeepSeek-Reasoner. The generated code is evaluated using four key metrics: run-time, memory usage, energy consumption, and correctness. We use human-written solutions as a baseline to assess the quality and efficiency of the model-generated code. Results indicate that LLMs achieve the highest correctness across all difficulty levels, but SLMs are often more energy-efficient when their outputs are correct. In over 52% of the evaluated problems, SLMs consumed the same or less energy than LLMs.

Large Language Models (LLMs) have demonstrated remarkable problem-solving and basic mathematics abilities. However, their efficacy is highly contingent on the formulation of the prompt. This study endeavors to quantify the influence of incorporating "positive thinking" into the system message of the prompt, then compare that to systematic prompt optimization. We assess the performance of 60 combinations of system message snippets, tested with and without Chain of Thought prompting, across three models with parameters ranging from 7 to 70 billion on the GSM8K dataset. Our findings reveal that results do not universally generalize across models. In most instances, the inclusion of "positive thinking" prompts positively affected model performance. Notably, however, Llama2-70B exhibited an exception when not utilizing Chain of Thought, as the optimal system message was found to be none at all. Given the combinatorial complexity, and thus computation time, of experimenting with hand-tuning prompts for large black-box models, we then compared the performance of the best "positive thinking" prompt against the output of systematic prompt optimization. We show that employing an automated prompt optimizer emerges as the most effective method for enhancing performance, even when working with smaller open-source models. Additionally, our findings reveal that the highest-scoring, automatically-optimized prompt exhibits a degree of peculiarity far beyond expectations.

We present Archer, a challenging bilingual text-to-SQL dataset specific to complex reasoning, including arithmetic, commonsense and hypothetical reasoning. It contains 1,042 English questions and 1,042 Chinese questions, along with 521 unique SQL queries, covering 20 English databases across 20 domains. Notably, this dataset demonstrates a significantly higher level of complexity compared to existing publicly available datasets. Our evaluation shows that Archer challenges the capabilities of current state-of-the-art models, with a high-ranked model on the Spider leaderboard achieving only 6.73% execution accuracy on Archer test set. Thus, Archer presents a significant challenge for future research in this field.

Training large language models (LLM) with open-domain instruction following data brings colossal success. However, manually creating such instruction data is very time-consuming and labor-intensive. Moreover, humans may struggle to produce high-complexity instructions. In this paper, we show an avenue for creating large amounts of instruction data with varying levels of complexity using LLM instead of humans. Starting with an initial set of instructions, we use our proposed Evol-Instruct to rewrite them step by step into more complex instructions. Then, we mix all generated instruction data to fine-tune LLaMA. We call the resulting model WizardLM. Human evaluations on a complexity-balanced test bed show that instructions from Evol-Instruct are superior to human-created ones. By analyzing the human evaluation results of the high complexity part, we demonstrate that outputs from our WizardLM model are preferred to outputs from OpenAI ChatGPT. Even though WizardLM still lags behind ChatGPT in some aspects, our findings suggest that fine-tuning with AI-evolved instructions is a promising direction for enhancing large language models. Our codes and generated data are public at https://github.com/nlpxucan/WizardLM

Modelling compositional meaning for sentences using empirical distributional methods has been a challenge for computational linguists. We implement the abstract categorical model of Coecke et al. (arXiv:1003.4394v1 [cs.CL]) using data from the BNC and evaluate it. The implementation is based on unsupervised learning of matrices for relational words and applying them to the vectors of their arguments. The evaluation is based on the word disambiguation task developed by Mitchell and Lapata (2008) for intransitive sentences, and on a similar new experiment designed for transitive sentences. Our model matches the results of its competitors in the first experiment, and betters them in the second. The general improvement in results with increase in syntactic complexity showcases the compositional power of our model.

Existing question answering (QA) datasets are no longer challenging to most powerful Large Language Models (LLMs). Traditional QA benchmarks like TriviaQA, NaturalQuestions, ELI5 and HotpotQA mainly study ``known unknowns'' with clear indications of both what information is missing, and how to find it to answer the question. Hence, good performance on these benchmarks provides a false sense of security. A yet unmet need of the NLP community is a bank of non-factoid, multi-perspective questions involving a great deal of unclear information needs, i.e. ``unknown uknowns''. We claim we can find such questions in search engine logs, which is surprising because most question-intent queries are indeed factoid. We present Researchy Questions, a dataset of search engine queries tediously filtered to be non-factoid, ``decompositional'' and multi-perspective. We show that users spend a lot of ``effort'' on these questions in terms of signals like clicks and session length, and that they are also challenging for GPT-4. We also show that ``slow thinking'' answering techniques, like decomposition into sub-questions shows benefit over answering directly. We release sim 100k Researchy Questions, along with the Clueweb22 URLs that were clicked.

Scaling laws are useful guides for developing language models, but there are still gaps between current scaling studies and how language models are ultimately trained and evaluated. For instance, scaling is usually studied in the compute-optimal training regime (i.e., "Chinchilla optimal" regime); however, in practice, models are often over-trained to reduce inference costs. Moreover, scaling laws mostly predict loss on next-token prediction, but ultimately models are compared based on downstream task performance. In this paper, we address both shortcomings. To do so, we create a testbed of 104 models with 0.011B to 6.9B parameters trained with various numbers of tokens on three data distributions. First, we investigate scaling in the over-trained regime. We fit scaling laws that extrapolate in both the number of model parameters and the ratio of training tokens to parameters. This enables us to predict the validation loss of a 1.4B parameter, 900B token run (i.e., 32times over-trained) and a 6.9B parameter, 138B token runx2014each from experiments that take 300times less compute. Second, we relate the perplexity of a language model to its downstream task performance via a power law. We use this law to predict top-1 error averaged over downstream tasks for the two aforementioned models using experiments that take 20times less compute. Our experiments are available at https://github.com/mlfoundations/scaling.

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.

While recent studies have looked into the abilities of large language models in various benchmark tasks, including question generation, reading comprehension, multilingual and etc, there have been few studies looking into the controllability of large language models on generation tasks. We present an extensive analysis of various benchmarks including a sentence planning benchmark with different granularities. After comparing large language models against state-of-the-start finetuned smaller models, we present a spectrum showing large language models falling behind, are comparable, or exceed the ability of smaller models. We conclude that **large language models struggle at meeting fine-grained hard constraints**.

This paper uses the concept of algorithmic efficiency to present a unified theory of intelligence. Intelligence is defined informally, formally, and computationally. We introduce the concept of Dimensional complexity in algorithmic efficiency and deduce that an optimally efficient algorithm has zero Time complexity, zero Space complexity, and an infinite Dimensional complexity. This algorithm is used to generate the number line.

Large Language Models (LLMs), trained on extensive web-scale corpora, have demonstrated remarkable abilities across diverse tasks, especially as they are scaled up. Nevertheless, even state-of-the-art models struggle in certain cases, sometimes failing at problems solvable by young children, indicating that traditional notions of task complexity are insufficient for explaining LLM capabilities. However, exploring LLM capabilities is complicated by the fact that most widely-used models are also "instruction-tuned" to respond appropriately to prompts. With the goal of disentangling the factors influencing LLM performance, we investigate whether instruction-tuned models possess fundamentally different capabilities from base models that are prompted using in-context examples. Through extensive experiments across various model families, scales and task types, which included instruction tuning 90 different LLMs, we demonstrate that the performance of instruction-tuned models is significantly correlated with the in-context performance of their base counterparts. By clarifying what instruction-tuning contributes, we extend prior research into in-context learning, which suggests that base models use priors from pretraining data to solve tasks. Specifically, we extend this understanding to instruction-tuned models, suggesting that their pretraining data similarly sets a limiting boundary on the tasks they can solve, with the added influence of the instruction-tuning dataset.

We study a K-armed bandit with delayed feedback and intermediate observations. We consider a model where intermediate observations have a form of a finite state, which is observed immediately after taking an action, whereas the loss is observed after an adversarially chosen delay. We show that the regime of the mapping of states to losses determines the complexity of the problem, irrespective of whether the mapping of actions to states is stochastic or adversarial. If the mapping of states to losses is adversarial, then the regret rate is of order (K+d)T (within log factors), where T is the time horizon and d is a fixed delay. This matches the regret rate of a K-armed bandit with delayed feedback and without intermediate observations, implying that intermediate observations are not helpful. However, if the mapping of states to losses is stochastic, we show that the regret grows at a rate of big(K+min{|mathcal{S|,d}big)T} (within log factors), implying that if the number |S| of states is smaller than the delay, then intermediate observations help. We also provide refined high-probability regret upper bounds for non-uniform delays, together with experimental validation of our algorithms.

In the realm of deep learning-based recommendation systems, the increasing computational demands, driven by the growing number of users and items, pose a significant challenge to practical deployment. This challenge is primarily twofold: reducing the model size while effectively learning user and item representations for efficient recommendations. Despite considerable advancements in model compression and architecture search, prevalent approaches face notable constraints. These include substantial additional computational costs from pre-training/re-training in model compression and an extensive search space in architecture design. Additionally, managing complexity and adhering to memory constraints is problematic, especially in scenarios with strict time or space limitations. Addressing these issues, this paper introduces a novel learning paradigm, Dynamic Sparse Learning (DSL), tailored for recommendation models. DSL innovatively trains a lightweight sparse model from scratch, periodically evaluating and dynamically adjusting each weight's significance and the model's sparsity distribution during the training. This approach ensures a consistent and minimal parameter budget throughout the full learning lifecycle, paving the way for "end-to-end" efficiency from training to inference. Our extensive experimental results underline DSL's effectiveness, significantly reducing training and inference costs while delivering comparable recommendation performance.

In recent years, language models have drastically grown in size, and the abilities of these models have been shown to improve with scale. The majority of recent scaling laws studies focused on high-compute high-parameter count settings, leaving the question of when these abilities begin to emerge largely unanswered. In this paper, we investigate whether the effects of pre-training can be observed when the problem size is reduced, modeling a smaller, reduced-vocabulary language. We show the benefits of pre-training with masked language modeling (MLM) objective in models as small as 1.25M parameters, and establish a strong correlation between pre-training perplexity and downstream performance (GLUE benchmark). We examine downscaling effects, extending scaling laws to models as small as ~1M parameters. At this scale, we observe a break of the power law for compute-optimal models and show that the MLM loss does not scale smoothly with compute-cost (FLOPs) below 2.2 times 10^{15} FLOPs. We also find that adding layers does not always benefit downstream performance.

Recent years have witnessed the rapid advancements of large language models (LLMs) and their expanding applications, leading to soaring demands for computational resources. The widespread adoption of test-time scaling further aggravates the tension between model capability and resource consumption, highlighting the importance of inference efficiency. However, a unified metric that accurately reflects an LLM's efficiency across different model sizes and architectures remains absent. Motivated by the correlation between compression and intelligence, we introduce information capacity, a measure of model efficiency based on text compression performance relative to computational complexity. Larger models can predict the next token more accurately, achieving greater compression gains but at higher computational costs. Empirical evaluations on mainstream open-source models show that models of varying sizes within a series exhibit consistent information capacity. This metric enables a fair efficiency comparison across model series and accurate performance prediction within a model series. A distinctive feature of information capacity is that it incorporates tokenizer efficiency, which affects both input and output token counts but is often neglected in LLM evaluations. We assess the information capacity of 49 models on 5 heterogeneous datasets and observe consistent results on the influences of tokenizer efficiency, pretraining data, and the mixture-of-experts architecture.

This study evaluates the efficiency of code generation by Large Language Models (LLMs) and measures their performance against human-crafted solutions using a dataset from Leetcode. We compare 18 LLMs, considering factors such as model temperature and success rate, and their impact on code performance. This research introduces a novel method for measuring and comparing the speed of LLM-generated code, revealing that LLMs produce code with comparable performance, irrespective of the adopted LLM. We also find that LLMs are capable of generating code that is, on average, more efficient than the code written by humans. The paper further discusses the use of Leetcode as a benchmarking dataset, the limitations imposed by potential data contamination, and the platform's measurement reliability. We believe that our findings contribute to a better understanding of LLM capabilities in code generation and set the stage for future optimizations in the field.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

Utilizing massive web-scale datasets has led to unprecedented performance gains in machine learning models, but also imposes outlandish compute requirements for their training. In order to improve training and data efficiency, we here push the limits of pruning large-scale multimodal datasets for training CLIP-style models. Today's most effective pruning method on ImageNet clusters data samples into separate concepts according to their embedding and prunes away the most prototypical samples. We scale this approach to LAION and improve it by noting that the pruning rate should be concept-specific and adapted to the complexity of the concept. Using a simple and intuitive complexity measure, we are able to reduce the training cost to a quarter of regular training. By filtering from the LAION dataset, we find that training on a smaller set of high-quality data can lead to higher performance with significantly lower training costs. More specifically, we are able to outperform the LAION-trained OpenCLIP-ViT-B32 model on ImageNet zero-shot accuracy by 1.1p.p. while only using 27.7% of the data and training compute. Despite a strong reduction in training cost, we also see improvements on ImageNet dist. shifts, retrieval tasks and VTAB. On the DataComp Medium benchmark, we achieve a new state-of-the-art ImageNet zero-shot accuracy and a competitive average zero-shot accuracy on 38 evaluation tasks.

In this paper, we propose a new measure to gauge the complexity of image classification problems. Given an annotated image dataset, our method computes a complexity measure called the cumulative spectral gradient (CSG) which strongly correlates with the test accuracy of convolutional neural networks (CNN). The CSG measure is derived from the probabilistic divergence between classes in a spectral clustering framework. We show that this metric correlates with the overall separability of the dataset and thus its inherent complexity. As will be shown, our metric can be used for dataset reduction, to assess which classes are more difficult to disentangle, and approximate the accuracy one could expect to get with a CNN. Results obtained on 11 datasets and three CNN models reveal that our method is more accurate and faster than previous complexity measures.

The rapid growth of Large Language Models (LLMs) has been a driving force in transforming various domains, reshaping the artificial general intelligence landscape. However, the increasing computational and memory demands of these models present substantial challenges, hindering both academic research and practical applications. To address these issues, a wide array of methods, including both algorithmic and hardware solutions, have been developed to enhance the efficiency of LLMs. This survey delivers a comprehensive review of algorithmic advancements aimed at improving LLM efficiency. Unlike other surveys that typically focus on specific areas such as training or model compression, this paper examines the multi-faceted dimensions of efficiency essential for the end-to-end algorithmic development of LLMs. Specifically, it covers various topics related to efficiency, including scaling laws, data utilization, architectural innovations, training and tuning strategies, and inference techniques. This paper aims to serve as a valuable resource for researchers and practitioners, laying the groundwork for future innovations in this critical research area. Our repository of relevant references is maintained at url{https://github.com/tding1/Efficient-LLM-Survey}.

This paper introduces DOoM, a new open-source benchmark designed to assess the capabilities of language models in solving mathematics and physics problems in Russian. The benchmark includes problems of varying difficulty, ranging from school-level tasks to university Olympiad and entrance exam questions. In this paper we discuss the motivation behind its creation, describe dataset's structure and evaluation methodology, and present initial results from testing various models. Analysis of the results shows a correlation between model performance and the number of tokens used, and highlights differences in performance between mathematics and physics tasks.

We study the classic Text-to-Pattern Hamming Distances problem: given a pattern P of length m and a text T of length n, both over a polynomial-size alphabet, compute the Hamming distance between P and T[i, ., . , i+m-1] for every shift i, under the standard Word-RAM model with Theta(log n)-bit words. - We provide an O(nm) time Las Vegas randomized algorithm for this problem, beating the decades-old O(n m log m) running time [Abrahamson, SICOMP 1987]. We also obtain a deterministic algorithm, with a slightly higher O(nm(log mloglog m)^{1/4}) running time. Our randomized algorithm extends to the k-bounded setting, with running time Obig(n+nk{m}big), removing all the extra logarithmic factors from earlier algorithms [Gawrychowski and Uzna\'{n}ski, ICALP 2018; Chan, Golan, Kociumaka, Kopelowitz and Porat, STOC 2020]. - For the (1+epsilon)-approximate version of Text-to-Pattern Hamming Distances, we give an O(epsilon^{-0.93}n) time Monte Carlo randomized algorithm, beating the previous O(epsilon^{-1}n) running time [Kopelowitz and Porat, FOCS 2015; Kopelowitz and Porat, SOSA 2018]. Our approximation algorithm exploits a connection with 3SUM, and uses a combination of Fredman's trick, equality matrix product, and random sampling; in particular, we obtain new results on approximate counting versions of 3SUM and Exact Triangle, which may be of independent interest. Our exact algorithms use a novel combination of hashing, bit-packed FFT, and recursion; in particular, we obtain a faster algorithm for computing the sumset of two integer sets, in the regime when the universe size is close to quadratic in the number of elements. We also prove a fine-grained equivalence between the exact Text-to-Pattern Hamming Distances problem and a range-restricted, counting version of 3SUM.

Over the past few years, the size of language models has grown exponentially, as has the computational cost to train these large models. This rapid growth has motivated researchers to develop new techniques aimed at enhancing the efficiency of the training process. Despite these advancements, optimally predicting the model size or allocating optimal resources remains a challenge. Several efforts have addressed the challenge by proposing different scaling laws, but almost all of them are architecture-specific (dense or sparse). In this work we revisit existing scaling laws and propose a generalized scaling law to provide a unified framework that is applicable to both dense and sparse large language models. We evaluate and compare our proposed scaling law with existing scaling laws to demonstrate its effectiveness.

Reasoning models have demonstrated impressive performance on difficult tasks that traditional language models struggle at. However, many are plagued with the problem of overthinking--generating large amounts of unnecessary tokens which don't improve accuracy on a question. We introduce approximate measures of problem-level difficulty and demonstrate that a clear relationship between problem difficulty and optimal token spend exists, and evaluate how well calibrated a variety of reasoning models are in terms of efficiently allocating the optimal token count. We find that in general, reasoning models are poorly calibrated, particularly on easy problems. To evaluate calibration on easy questions we introduce DUMB500, a dataset of extremely easy math, reasoning, code, and task problems, and jointly evaluate reasoning model on these simple examples and extremely difficult examples from existing frontier benchmarks on the same task domain. Finally, we introduce THOUGHTTERMINATOR, a training-free black box decoding technique that significantly improves reasoning model calibration.

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their parameters while processing an input. For these models, parameter count and computational requirement form two independent axes along which an increase leads to better performance. In this work we derive and justify scaling laws defined on these two variables which generalize those known for standard language models and describe the performance of a wide range of routing architectures trained via three different techniques. Afterwards we provide two applications of these laws: first deriving an Effective Parameter Count along which all models scale at the same rate, and then using the scaling coefficients to give a quantitative comparison of the three routing techniques considered. Our analysis derives from an extensive evaluation of Routing Networks across five orders of magnitude of size, including models with hundreds of experts and hundreds of billions of parameters.

Large language models (LLMs) have shown remarkable ability in code generation with more than 90 pass@1 in solving Python coding problems in HumanEval and MBPP. Such high accuracy leads to the question: can LLMs replace human programmers? Existing manual crafted, simple, or single-line code generation benchmarks cannot answer this question due to their gap with real-world software development. To answer this question, we propose REPOCOD, a code generation benchmark with 980 problems collected from 11 popular real-world projects, with more than 58% of them requiring file-level or repository-level context information. In addition, REPOCOD has the longest average canonical solution length (331.6 tokens) and the highest average cyclomatic complexity (9.00) compared to existing benchmarks. In our evaluations on ten LLMs, none of the models can achieve more than 30 pass@1 on REPOCOD, disclosing the necessity of building stronger LLMs that can help developers in real-world software development.

The demand for Large Language Models (LLMs) capable of sophisticated mathematical reasoning is growing across industries. However, the development of performant mathematical LLMs is critically bottlenecked by the scarcity of difficult, novel training data. We introduce SAND-Math (Synthetic Augmented Novel and Difficult Mathematics problems and solutions), a pipeline that addresses this by first generating high-quality problems from scratch and then systematically elevating their complexity via a new Difficulty Hiking step. We demonstrate the effectiveness of our approach through two key findings. First, augmenting a strong baseline with SAND-Math data significantly boosts performance, outperforming the next-best synthetic dataset by uparrow 17.85 absolute points on the AIME25 benchmark. Second, in a dedicated ablation study, we show our Difficulty Hiking process is highly effective: by increasing average problem difficulty from 5.02 to 5.98, this step lifts AIME25 performance from 46.38\% to 49.23\%. The full generation pipeline, final dataset, and a fine-tuned model form a practical and scalable toolkit for building more capable and efficient mathematical reasoning LLMs. SAND-Math dataset is released here: https://huggingface.co/datasets/amd/SAND-MATH{https://huggingface.co/datasets/amd/SAND-MATH}

This paper reviews the state-of-the-art of language models architectures and strategies for "complex" question-answering (QA, CQA, CPS) with a focus on hybridization. Large Language Models (LLM) are good at leveraging public data on standard problems but once you want to tackle more specific complex questions or problems (e.g. How does the concept of personal freedom vary between different cultures ? What is the best mix of power generation methods to reduce climate change ?) you may need specific architecture, knowledge, skills, methods, sensitive data protection, explainability, human approval and versatile feedback... Recent projects like ChatGPT and GALACTICA have allowed non-specialists to grasp the great potential as well as the equally strong limitations of LLM in complex QA. In this paper, we start by reviewing required skills and evaluation techniques. We integrate findings from the robust community edited research papers BIG, BLOOM and HELM which open source, benchmark and analyze limits and challenges of LLM in terms of tasks complexity and strict evaluation on accuracy (e.g. fairness, robustness, toxicity, ...) as a baseline. We discuss some challenges associated with complex QA, including domain adaptation, decomposition and efficient multi-step QA, long form and non-factoid QA, safety and multi-sensitivity data protection, multimodal search, hallucinations, explainability and truthfulness, temporal reasoning. We analyze current solutions and promising research trends, using elements such as: hybrid LLM architectural patterns, training and prompting strategies, active human reinforcement learning supervised with AI, neuro-symbolic and structured knowledge grounding, program synthesis, iterated decomposition and others.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

Capability evaluation of large language models (LLMs) is increasingly shadowed by rising concerns of data contamination that cast doubts on whether static benchmarks measure genuine reasoning or mere memorization. We present an empirical study using an infinitely scalable framework to synthesize research-level QA directly from arXiv papers, harnessing the natural temporal structure of research publications where performance decay after knowledge cutoffs may indicate potential contamination. We evaluated 4 frontier model represented by 2 models of different knowledge cutoff dates per family on 1,643 multi-step reasoning questions synthesized from 20,277 arXiv papers stratified over 26 months, covering at least 6 months before and after all cutoff dates. Our results consistently showed a lack of significant performance decay near knowledge cutoff dates for models of various sizes, developers, and release dates. We further performed a comparative analysis with previous longitudinal studies that reported significant post-cutoff performance decay using directly retrieved questions based on public data. we hypothesize that the multi-step reasoning required by our synthesis pipeline offered additional complexity that goes deeper than shallow memorization, which effectively serves a mitigation strategy against benchmark contamination. We fully open source our code and dataset to aid reproducibility and advocate for a paradigm shift that prioritize reasoning-driven synthesis to construct benchmarks over simply collecting newly released questions periodically.

Math reasoning is becoming an ever increasing area of focus as we scale large language models. However, even the previously-toughest evals like MATH are now close to saturated by frontier models (90.0% for o1-mini and 86.5% for Gemini 1.5 Pro). We introduce HARP, Human Annotated Reasoning Problems (for Math), consisting of 5,409 problems from the US national math competitions (A(J)HSME, AMC, AIME, USA(J)MO). Of these, 4,780 have answers that are automatically check-able (with libraries such as SymPy). These problems range six difficulty levels, with frontier models performing relatively poorly on the hardest bracket of 197 problems (average accuracy 41.1% for o1-mini, and 9.6% for Gemini 1.5 Pro). Our dataset also features multiple choices (for 4,110 problems) and an average of two human-written, ground-truth solutions per problem, offering new avenues of research that we explore briefly. We report evaluations for many frontier models and share some interesting analyses, such as demonstrating that frontier models across families intrinsically scale their inference-time compute for more difficult problems. Finally, we open source all code used for dataset construction (including scraping) and all code for evaluation (including answer checking) to enable future research at: https://github.com/aadityasingh/HARP.

Large language models (LLMs) are incredible and versatile tools for text-based tasks that have enabled countless, previously unimaginable, applications. Retrieval models, in contrast, have not yet seen such capable general-purpose models emerge. To achieve this goal, retrieval models must be able to perform complex retrieval tasks, where queries contain multiple parts, constraints, or requirements in natural language. These tasks represent a natural progression from the simple, single-aspect queries that are used in the vast majority of existing, commonly used evaluation sets. Complex queries naturally arise as people expect search systems to handle more specific and often ambitious information requests, as is demonstrated by how people use LLM-based information systems. Despite the growing desire for retrieval models to expand their capabilities in complex retrieval tasks, there exist limited resources to assess the ability of retrieval models on a comprehensive set of diverse complex tasks. The few resources that do exist feature a limited scope and often lack realistic settings making it hard to know the true capabilities of retrieval models on complex real-world retrieval tasks. To address this shortcoming and spur innovation in next-generation retrieval models, we construct a diverse and realistic set of complex retrieval tasks and benchmark a representative set of state-of-the-art retrieval models. Additionally, we explore the impact of LLM-based query expansion and rewriting on retrieval quality. Our results show that even the best models struggle to produce high-quality retrieval results with the highest average nDCG@10 of only 0.346 and R@100 of only 0.587 across all tasks. Although LLM augmentation can help weaker models, the strongest model has decreased performance across all metrics with all rewriting techniques.

The transformer architecture has driven breakthroughs in recent years on tasks which require modeling pairwise relationships between sequential elements, as is the case in natural language understanding. However, long seqeuences pose a problem due to the quadratic complexity of the attention operation. Previous research has aimed to lower the complexity by sparsifying or linearly approximating the attention matrix. Yet, these approaches cannot straightforwardly distill knowledge from a teacher's attention matrix and often require complete retraining from scratch. Furthermore, previous sparse and linear approaches lose interpretability if they cannot produce full attention matrices. To address these challenges, we propose SEA: Sparse linear attention with an Estimated Attention mask. SEA estimates the attention matrix with linear complexity via kernel-based linear attention, then subsequently creates a sparse attention matrix with a top-k selection to perform a sparse attention operation. For language modeling tasks (Wikitext2), previous linear and sparse attention methods show roughly two-fold worse perplexity scores over the quadratic OPT-1.3B baseline, while SEA achieves better perplexity than OPT-1.3B, using roughly half the memory of OPT-1.3B, providing interpretable attention matrix. We believe that our work will have a large practical impact, as it opens the possibility of running large transformers on resource-limited devices with less memory.

Algorithms for min-max optimization and variational inequalities are often studied under monotonicity assumptions. Motivated by non-monotone machine learning applications, we follow the line of works [Diakonikolas et al., 2021, Lee and Kim, 2021, Pethick et al., 2022, B\"ohm, 2022] aiming at going beyond monotonicity by considering the weaker negative comonotonicity assumption. In particular, we provide tight complexity analyses for the Proximal Point, Extragradient, and Optimistic Gradient methods in this setup, closing some questions on their working guarantees beyond monotonicity.

Conformant planning is the problem of finding a sequence of actions for achieving a goal in the presence of uncertainty in the initial state or action effects. The problem has been approached as a path-finding problem in belief space where good belief representations and heuristics are critical for scaling up. In this work, a different formulation is introduced for conformant problems with deterministic actions where they are automatically converted into classical ones and solved by an off-the-shelf classical planner. The translation maps literals L and sets of assumptions t about the initial situation, into new literals KL/t that represent that L must be true if t is initially true. We lay out a general translation scheme that is sound and establish the conditions under which the translation is also complete. We show that the complexity of the complete translation is exponential in a parameter of the problem called the conformant width, which for most benchmarks is bounded. The planner based on this translation exhibits good performance in comparison with existing planners, and is the basis for T0, the best performing planner in the Conformant Track of the 2006 International Planning Competition.

We find that the cross-entropy loss curves of neural language models empirically adhere to a scaling law with learning rate (LR) annealing over training steps (s): $L(s) = L_0 + Acdot S_1^{-alpha} - Ccdot S_2 Where S_1 is forward area and S_2$ is learning rate annealing area. This formulation takes into account two factors: (1) The forward scaling defined as typical scaling law, and (2) the additional loss drop brought by LR annealing. Therefore, this formulation can describe the full loss curve at each step, rather than the single loss point at the end of training. Applying the scaling law with LR annealing and fitting only one or two training curves, we can accurately predict the loss of language model training at any given step and across any learning rate scheduler (LRS). Furthermore, this equation accurately describes the dynamics during training process, and provides a theoretical verification and explanation for numerous experimental findings of previous studies, particularly those focusing on LR schedule and LR annealing. The resulting insights, also serve as a guide for researchers to select critical LRS in advance by prediction using our equation. Most significantly, since all the points in a full training curve follow the equation, we can achieve accurate loss prediction at any given step across any learning rate scheduler, while expending less than 1\% of the computational cost required by the chinchilla scaling law to fit language modeling loss. This approach extremely democratizes scaling law fitting and predicting in developing large language models.

Scientific problem-solving involves synthesizing information while applying expert knowledge. We introduce CURIE, a scientific long-Context Understanding,Reasoning and Information Extraction benchmark to measure the potential of Large Language Models (LLMs) in scientific problem-solving and assisting scientists in realistic workflows. This benchmark introduces ten challenging tasks with a total of 580 problems and solution pairs curated by experts in six disciplines - materials science, condensed matter physics, quantum computing, geospatial analysis, biodiversity, and proteins - covering both experimental and theoretical work-flows in science. We evaluate a range of closed and open LLMs on tasks in CURIE which requires domain expertise, comprehension of long in-context information,and multi-step reasoning. While Gemini Flash 2.0 and Claude-3 show consistent high comprehension across domains, the popular GPT-4o and command-R+ fail dramatically on protein sequencing tasks. With the best performance at 32% there is much room for improvement for all models. We hope that insights gained from CURIE can guide the future development of LLMs in sciences. Evaluation code and data are in https://github.com/google/curie

Transformer-based language models have found many diverse applications requiring them to process sequences of increasing length. For these applications, the causal self-attention -- which is the only component scaling quadratically w.r.t. the sequence length -- becomes a central concern. While many works have proposed schemes to sparsify the attention patterns and reduce the computational overhead of self-attention, those are often limited by implementations concerns and end up imposing a simple and static structure over the attention matrix. Conversely, implementing more dynamic sparse attentions often results in runtimes significantly slower than computing the full attention using the Flash implementation from Dao et al. (2022). We extend FlashAttention to accommodate a large class of attention sparsity patterns that, in particular, encompass key/query dropping and hashing-based attention. This leads to implementations with no computational complexity overhead and a multi-fold runtime speedup on top of FlashAttention. Even with relatively low degrees of sparsity, our method improves visibly upon FlashAttention as the sequence length increases. Without sacrificing perplexity, we increase the training speed of a transformer language model by 2.0times and 3.3times for sequences of respectively 8k and 16k tokens.

Despite high benchmark scores, Large Language Models (LLMs) often fail simple problem, raising a critical question: Do LLMs learn mathematical principles or merely memorize patterns? Rather than designing increasingly complex benchmarks like recent works, we investigate this using elementary two-integer addition (0 to 2^{64}), probing two core properties: commutativity (A+B=B+A) and compositional generalization (via isomorphic symbolic mappings, e.g., 7 rightarrow y). While state-of-the-art LLMs achieve 73.8-99.8\% accuracy on numerical addition, performance collapses to leq7.5\% under symbolic mapping, indicating failure to generalize learned rules. Non-monotonic performance scaling with digit count and frequent commutativity violations (over 1,700 cases of A+B neq B+A) further support this. Explicitly providing addition rules degrades performance by 81.2\% on average, while self-explanation maintains baseline accuracy, suggesting LLM arithmetic processing is misaligned with human-defined principles. Our findings indicate current LLMs rely on memory pattern over genuine rule learning, highlighting architectural limitations and the need for new approaches to achieve true mathematical reasoning.

We present and test the largest benchmark for vericoding, LLM-generation of formally verified code from formal specifications - in contrast to vibe coding, which generates potentially buggy code from a natural language description. Our benchmark contains 12,504 formal specifications, with 3,029 in Dafny, 2,334 in Verus/Rust and 7,141 in Lean. Of these, 6,174 are new unseen problems. We find vericoding success rates of 27% in Lean, 44% in Verus/Rust and 82% in Dafny using off-the-shelf LLMs. Adding natural-language descriptions does not significantly improve performance. We also find that LLM progress has improved progress on pure Dafny verification from 68% to 96% over the past year. The benchmark and vericoding results are shared at https://github.com/Beneficial-AI-Foundation/vericoding-benchmark

Accurate prediction of climate in the subseasonal-to-seasonal scale is crucial for disaster readiness, reduced economic risk, and improved policy-making amidst climate change. Yet, S2S prediction remains challenging due to the chaotic nature of the system. At present, existing benchmarks for weather and climate applications, tend to (1) have shorter forecasting range of up-to 14 days, (2) do not include a wide range of operational baseline forecasts, and (3) lack physics-based constraints for explainability. Thus, we propose ChaosBench, a large-scale, multi-channel, physics-based benchmark for S2S prediction. ChaosBench has over 460K frames of real-world observations and simulations, each with 60 variable-channels and spanning for up-to 45 years. We also propose several physics-based, in addition to vision-based metrics, that enables for a more physically-consistent model. Furthermore, we include a diverse set of physics-based forecasts from 4 national weather agencies as baselines to our data-driven counterpart. We establish two tasks that vary in complexity: full and sparse dynamics prediction. Our benchmark is one of the first to perform large-scale evaluation on existing models including PanguWeather, FourCastNetV2, GraphCast, and ClimaX, and finds methods originally developed for weather-scale applications fails on S2S task. We release our benchmark code and datasets at https://leap-stc.github.io/ChaosBench.

Word frequency is a key variable in psycholinguistics, useful for modeling human familiarity with words even in the era of large language models (LLMs). Frequency in film subtitles has proved to be a particularly good approximation of everyday language exposure. For many languages, however, film subtitles are not easily available, or are overwhelmingly translated from English. We demonstrate that frequencies extracted from carefully processed YouTube subtitles provide an approximation comparable to, and often better than, the best currently available resources. Moreover, they are available for languages for which a high-quality subtitle or speech corpus does not exist. We use YouTube subtitles to construct frequency norms for five diverse languages, Chinese, English, Indonesian, Japanese, and Spanish, and evaluate their correlation with lexical decision time, word familiarity, and lexical complexity. In addition to being strongly correlated with two psycholinguistic variables, a simple linear regression on the new frequencies achieves a new high score on a lexical complexity prediction task in English and Japanese, surpassing both models trained on film subtitle frequencies and the LLM GPT-4. Our code, the frequency lists, fastText word embeddings, and statistical language models are freely available at https://github.com/naist-nlp/tubelex.

Recent neural network-based language models have benefited greatly from scaling up the size of training datasets and the number of parameters in the models themselves. Scaling can be complicated due to various factors including the need to distribute computation on supercomputer clusters (e.g., TPUs), prevent bottlenecks when infeeding data, and ensure reproducible results. In this work, we present two software libraries that ease these issues: t5x simplifies the process of building and training large language models at scale while maintaining ease of use, and seqio provides a task-based API for simple creation of fast and reproducible training data and evaluation pipelines. These open-source libraries have been used to train models with hundreds of billions of parameters on datasets with multiple terabytes of training data. Along with the libraries, we release configurations and instructions for T5-like encoder-decoder models as well as GPT-like decoder-only architectures. t5x and seqio are open source and available at https://github.com/google-research/t5x and https://github.com/google/seqio, respectively.

In pursuit of faster computation, Efficient Transformers demonstrate an impressive variety of approaches -- models attaining sub-quadratic attention complexity can utilize a notion of sparsity or a low-rank approximation of inputs to reduce the number of attended keys; other ways to reduce complexity include locality-sensitive hashing, key pooling, additional memory to store information in compacted or hybridization with other architectures, such as CNN. Often based on a strong mathematical basis, kernelized approaches allow for the approximation of attention with linear complexity while retaining high accuracy. Therefore, in the present paper, we aim to expand the idea of trainable kernel methods to approximate the self-attention mechanism of the Transformer architecture.

Understanding how language model performance varies with scale is critical to benchmark and algorithm development. Scaling laws are one approach to building this understanding, but the requirement of training models across many different scales has limited their use. We propose an alternative, observational approach that bypasses model training and instead builds scaling laws from ~80 publically available models. Building a single scaling law from multiple model families is challenging due to large variations in their training compute efficiencies and capabilities. However, we show that these variations are consistent with a simple, generalized scaling law where language model performance is a function of a low-dimensional capability space, and model families only vary in their efficiency in converting training compute to capabilities. Using this approach, we show the surprising predictability of complex scaling phenomena: we show that several emergent phenomena follow a smooth, sigmoidal behavior and are predictable from small models; we show that the agent performance of models such as GPT-4 can be precisely predicted from simpler non-agentic benchmarks; and we show how to predict the impact of post-training interventions like Chain-of-Thought and Self-Consistency as language model capabilities continue to improve.

Evaluating language models fairly is becoming harder as static benchmarks available on the internet risk contamination by training data. This makes it unclear whether models are truly reasoning or just recalling answers. In this paper, we introduce BeyondBench, an evaluation framework that avoids this problem by using algorithmic problem generation. Unlike traditional benchmarks that risk contamination from internet-scale training data, BeyondBench creates mathematically grounded problems on the fly, ensuring each test remains fresh and uncontaminated. Our framework covers 44 algorithmic tasks with a total of 117 variations, grouped into three difficulty levels: the Easy Suite (29 tasks) for basic arithmetic and statistics, the Medium Suite (5 tasks, 49 variations) for sequence patterns and reasoning, and the Hard Suite (10 tasks, 68 variations) tackling NP-complete and constraint satisfaction problems. Each task generates problems from a combinatorial space larger than 10^15 unique instances, with solutions verified deterministically by mathematical proofs. We evaluated 101 language models, including 85 open-source and 16 closed-source models, spanning sizes from 0.5B to 141B parameters and multiple quantization schemes. Our results show consistent reasoning deficiencies across model families, with performance degrading sharply as problem complexity increases from polynomial to exponential. In our Hard Suite evaluations, models such as Gemini-2.5-pro, Llama-3.3-70B, and Qwen2.5-72B achieved average accuracies of 56.38%, 26.91%, and 33.60%, respectively. Moreover, we observe that performance drops drastically without tool usage, with GPT-5, GPT-5-mini, and GPT-5-nano showing a decline of 16.81%, 28.05%, and 47.59% accuracy on the hard suite. Our leaderboard is publicly available at https://ctrl-gaurav.github.io/BeyondBench/

Recent theoretical work has identified surprisingly simple reasoning problems, such as checking if two nodes in a graph are connected or simulating finite-state machines, that are provably unsolvable by standard transformers that answer immediately after reading their input. However, in practice, transformers' reasoning can be improved by allowing them to use a "chain of thought" or "scratchpad", i.e., generate and condition on a sequence of intermediate tokens before answering. Motivated by this, we ask: Does such intermediate generation fundamentally extend the computational power of a decoder-only transformer? We show that the answer is yes, but the amount of increase depends crucially on the amount of intermediate generation. For instance, we find that transformer decoders with a logarithmic number of decoding steps (w.r.t. the input length) push the limits of standard transformers only slightly, while a linear number of decoding steps, assuming a slight generalization to standard pre-norm, adds a clear new ability (under standard complexity conjectures): recognizing all regular languages. Our results also imply that linear steps keep transformer decoders within context-sensitive languages, and polynomial steps with generalized pre-norm make them recognize exactly the class of polynomial-time solvable problems -- the first exact characterization of a type of transformers in terms of standard complexity classes. Together, our results provide a nuanced framework for understanding how the length of a transformer's chain of thought or scratchpad impacts its reasoning power.

Free-text rationales justify model decisions in natural language and thus become likable and accessible among approaches to explanation across many tasks. However, their effectiveness can be hindered by misinterpretation and hallucination. As a perturbation test, we investigate how large language models (LLMs) perform rationale generation under the effects of readability level control, i.e., being prompted for an explanation targeting a specific expertise level, such as sixth grade or college. We find that explanations are adaptable to such instruction, though the requested readability is often misaligned with the measured text complexity according to traditional readability metrics. Furthermore, the generated rationales tend to feature medium level complexity, which correlates with the measured quality using automatic metrics. Finally, our human annotators confirm a generally satisfactory impression on rationales at all readability levels, with high-school-level readability being most commonly perceived and favored.

This paper introduces Adaptive Computation Time (ACT), an algorithm that allows recurrent neural networks to learn how many computational steps to take between receiving an input and emitting an output. ACT requires minimal changes to the network architecture, is deterministic and differentiable, and does not add any noise to the parameter gradients. Experimental results are provided for four synthetic problems: determining the parity of binary vectors, applying binary logic operations, adding integers, and sorting real numbers. Overall, performance is dramatically improved by the use of ACT, which successfully adapts the number of computational steps to the requirements of the problem. We also present character-level language modelling results on the Hutter prize Wikipedia dataset. In this case ACT does not yield large gains in performance; however it does provide intriguing insight into the structure of the data, with more computation allocated to harder-to-predict transitions, such as spaces between words and ends of sentences. This suggests that ACT or other adaptive computation methods could provide a generic method for inferring segment boundaries in sequence data.

Transformers achieve remarkable performance in several tasks but due to their quadratic complexity, with respect to the input's length, they are prohibitively slow for very long sequences. To address this limitation, we express the self-attention as a linear dot-product of kernel feature maps and make use of the associativity property of matrix products to reduce the complexity from Oleft(N^2right) to Oleft(Nright), where N is the sequence length. We show that this formulation permits an iterative implementation that dramatically accelerates autoregressive transformers and reveals their relationship to recurrent neural networks. Our linear transformers achieve similar performance to vanilla transformers and they are up to 4000x faster on autoregressive prediction of very long sequences.

Since the success of GPT, large language models (LLMs) have been revolutionizing machine learning and have initiated the so-called LLM prompting paradigm. In the era of LLMs, people train a single general-purpose LLM and provide the LLM with different prompts to perform different tasks. However, such empirical success largely lacks theoretical understanding. Here, we present the first theoretical study on the LLM prompting paradigm to the best of our knowledge. In this work, we show that prompting is in fact Turing-complete: there exists a finite-size Transformer such that for any computable function, there exists a corresponding prompt following which the Transformer computes the function. Furthermore, we show that even though we use only a single finite-size Transformer, it can still achieve nearly the same complexity bounds as that of the class of all unbounded-size Transformers. Overall, our result reveals that prompting can enable a single finite-size Transformer to be efficiently universal, which establishes a theoretical underpinning for prompt engineering in practice.

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

Competition-level code generation tasks pose significant challenges for current state-of-the-art large language models (LLMs). For example, on the LiveCodeBench-Hard dataset, models such as O1-Mini and O1-Preview achieve pass@1 rates of only 0.366 and 0.143, respectively. While tree search techniques have proven effective in domains like mathematics and general coding, their potential in competition-level code generation remains under-explored. In this work, we propose a novel token-level tree search method specifically designed for code generation. Leveraging Qwen2.5-Coder-32B-Instruct, our approach achieves a pass rate of 0.305 on LiveCodeBench-Hard, surpassing the pass@100 performance of GPT4o-0513 (0.245). Furthermore, by integrating Chain-of-Thought (CoT) prompting, we improve our method's performance to 0.351, approaching O1-Mini's pass@1 rate. To ensure reproducibility, we report the average number of generations required per problem by our tree search method on the test set. Our findings underscore the potential of tree search to significantly enhance performance on competition-level code generation tasks. This opens up new possibilities for large-scale synthesis of challenging code problems supervised fine-tuning (SFT) data, advancing competition-level code generation tasks.

We rethink test-time scaling laws from a practical efficiency perspective, revealing that the effectiveness of smaller models is significantly overestimated. Prior work, grounded in compute-optimality, overlooks critical memory access bottlenecks introduced by inference-time strategies (e.g., Best-of-N, long CoTs). Our holistic analysis, spanning models from 0.6B to 32B parameters, reveals a new Kinetics Scaling Law that better guides resource allocation by incorporating both computation and memory access costs. Kinetics Scaling Law suggests that test-time compute is more effective when used on models above a threshold than smaller ones. A key reason is that in TTS, attention, rather than parameter count, emerges as the dominant cost factor. Motivated by this, we propose a new scaling paradigm centered on sparse attention, which lowers per-token cost and enables longer generations and more parallel samples within the same resource budget. Empirically, we show that sparse attention models consistently outperform dense counterparts, achieving over 60 points gains in low-cost regimes and over 5 points gains in high-cost regimes for problem-solving accuracy on AIME, encompassing evaluations on state-of-the-art MoEs. These results suggest that sparse attention is essential for realizing the full potential of test-time scaling because, unlike training, where parameter scaling saturates, test-time accuracy continues to improve through increased generation. The code is available at https://github.com/Infini-AI-Lab/Kinetics.

Recent supervised fine-tuning (SFT) approaches have significantly improved language models' performance on mathematical reasoning tasks, even when models are trained at a small scale. However, the specific capabilities enhanced through such fine-tuning remain poorly understood. In this paper, we conduct a detailed analysis of model performance on the AIME24 dataset to understand how reasoning capabilities evolve. We discover a ladder-like structure in problem difficulty, categorize questions into four tiers (Easy, Medium, Hard, and Extremely Hard (Exh)), and identify the specific requirements for advancing between tiers. We find that progression from Easy to Medium tier requires adopting an R1 reasoning style with minimal SFT (500-1K instances), while Hard-level questions suffer from frequent model's errors at each step of the reasoning chain, with accuracy plateauing at around 65% despite logarithmic scaling. Exh-level questions present a fundamentally different challenge; they require unconventional problem-solving skills that current models uniformly struggle with. Additional findings reveal that carefully curated small-scale datasets offer limited advantage-scaling dataset size proves far more effective. Our analysis provides a clearer roadmap for advancing language model capabilities in mathematical reasoning.

Recent studies in using deep reinforcement learning (DRL) to solve Job-shop scheduling problems (JSSP) focus on construction heuristics. However, their performance is still far from optimality, mainly because the underlying graph representation scheme is unsuitable for modelling partial solutions at each construction step. This paper proposes a novel DRL-guided improvement heuristic for solving JSSP, where graph representation is employed to encode complete solutions. We design a Graph Neural-Network-based representation scheme, consisting of two modules to effectively capture the information of dynamic topology and different types of nodes in graphs encountered during the improvement process. To speed up solution evaluation during improvement, we present a novel message-passing mechanism that can evaluate multiple solutions simultaneously. We prove that the computational complexity of our method scales linearly with problem size. Experiments on classic benchmarks show that the improvement policy learned by our method outperforms state-of-the-art DRL-based methods by a large margin.

We consider the problem of ranking n experts based on their performances on d tasks. We make a monotonicity assumption stating that for each pair of experts, one outperforms the other on all tasks. We consider the sequential setting where in each round, the learner has access to noisy evaluations of actively chosen pair of expert-task, given the information available up to the actual round. Given a confidence parameter delta in (0, 1), we provide strategies allowing to recover the correct ranking of experts and develop a bound on the total number of queries made by our algorithm that hold with probability at least 1 -- delta. We show that our strategy is adaptive to the complexity of the problem (our bounds are instance dependent), and develop matching lower bounds up to a poly-logarithmic factor. Finally, we adapt our strategy to the relaxed problem of best expert identification and provide numerical simulation consistent with our theoretical results.

This paper explores the limits of the current generation of large language models for program synthesis in general purpose programming languages. We evaluate a collection of such models (with between 244M and 137B parameters) on two new benchmarks, MBPP and MathQA-Python, in both the few-shot and fine-tuning regimes. Our benchmarks are designed to measure the ability of these models to synthesize short Python programs from natural language descriptions. The Mostly Basic Programming Problems (MBPP) dataset contains 974 programming tasks, designed to be solvable by entry-level programmers. The MathQA-Python dataset, a Python version of the MathQA benchmark, contains 23914 problems that evaluate the ability of the models to synthesize code from more complex text. On both datasets, we find that synthesis performance scales log-linearly with model size. Our largest models, even without finetuning on a code dataset, can synthesize solutions to 59.6 percent of the problems from MBPP using few-shot learning with a well-designed prompt. Fine-tuning on a held-out portion of the dataset improves performance by about 10 percentage points across most model sizes. On the MathQA-Python dataset, the largest fine-tuned model achieves 83.8 percent accuracy. Going further, we study the model's ability to engage in dialog about code, incorporating human feedback to improve its solutions. We find that natural language feedback from a human halves the error rate compared to the model's initial prediction. Additionally, we conduct an error analysis to shed light on where these models fall short and what types of programs are most difficult to generate. Finally, we explore the semantic grounding of these models by fine-tuning them to predict the results of program execution. We find that even our best models are generally unable to predict the output of a program given a specific input.

Existing combinatorial search methods are often complex and require some level of expertise. This work introduces a simple and efficient deep learning method for solving combinatorial problems with a predefined goal, represented by Rubik's Cube. We demonstrate that, for such problems, training a deep neural network on random scrambles branching from the goal state is sufficient to achieve near-optimal solutions. When tested on Rubik's Cube, 15 Puzzle, and 7times7 Lights Out, our method outperformed the previous state-of-the-art method DeepCubeA, improving the trade-off between solution optimality and computational cost, despite significantly less training data. Furthermore, we investigate the scaling law of our Rubik's Cube solver with respect to model size and training data volume.

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. It therefore seems natural to make models more modular to help capture the compositional nature of many tasks. However, it is unclear under which circumstances modular systems can discover hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. In particular we study modularity in hypernetworks representing a general class of multiplicative interactions. We show theoretically that identification up to linear transformation purely from demonstrations is possible without having to learn an exponential number of module combinations. We further demonstrate empirically that under the theoretically identified conditions, meta-learning from finite data can discover modular policies that generalize compositionally in a number of complex environments.

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

Grokking, i.e., test performance keeps improving long after training loss converged, has been recently witnessed in neural network training, making the mechanism of generalization and other emerging capabilities such as reasoning mysterious. While prior studies usually train small models on a few toy or highly-specific tasks for thousands of epochs, we conduct the first study of grokking on checkpoints during one-pass pretraining of a 7B large language model (LLM), i.e., OLMoE. We compute the training loss and evaluate generalization on diverse benchmark tasks, including math reasoning, code generation, and commonsense/domain-specific knowledge retrieval tasks. Our study, for the first time, verifies that grokking still happens in the pretraining of large-scale foundation models, though different data may enter grokking stages asynchronously. We further demystify grokking's "emergence of generalization" by investigating LLM internal dynamics. Specifically, we find that training samples' pathways (i.e., expert choices across layers) evolve from random, instance-specific to more structured and shareable between samples during grokking. Also, the complexity of a sample's pathway reduces despite the converged loss. These indicate a memorization-to-generalization conversion, providing a mechanistic explanation of delayed generalization. In the study, we develop two novel metrics to quantify pathway distance and the complexity of a single pathway. We show their ability to predict the generalization improvement on diverse downstream tasks. They are efficient, simple to compute and solely dependent on training data. Hence, they have practical value for pretraining, enabling us to monitor the generalization performance without finetuning and test. Theoretically, we show that more structured pathways reduce model complexity and improve the generalization bound.

The quadratic computational complexity in the self-attention mechanism of popular transformer architectures poses significant challenges for training and inference, particularly in terms of efficiency and memory requirements. Towards addressing these challenges, this paper introduces a novel fast computation method for gradient calculation in multi-layer transformer models. Our approach enables the computation of gradients for the entire multi-layer transformer model in almost linear time n^{1+o(1)}, where n is the input sequence length. This breakthrough significantly reduces the computational bottleneck associated with the traditional quadratic time complexity. Our theory holds for any loss function and maintains a bounded approximation error across the entire model. Furthermore, our analysis can hold when the multi-layer transformer model contains many practical sub-modules, such as residual connection, casual mask, and multi-head attention. By improving the efficiency of gradient computation in large language models, we hope that our work will facilitate the more effective training and deployment of long-context language models based on our theoretical results.